Results of joint use and collaborative research - Institute for Molecular Science

共同利用・共同研究の成果

First-principles molecular dynamics simulation study on Ti/Mn ions in aqueous sulfuric acid for use in redox flow battery

Choe, YK; Tsuchida, E; Tokuda, K; Otsuka, J; Saito, Y

JOURNAL OF ENERGY STORAGE 72 2023年11月20日

ISSN: 2352-152X

DOI
Selective molecular recognition of amino acids and their derivatives by cucurbiturils in aqueous solution: An MD/3D-RISM study

Chiangraeng, N; Nakano, H; Nimmanpipug, P; Yoshida, N

JOURNAL OF MOLECULAR LIQUIDS 386 2023年09月15日

ISSN: 0167-7322

DOI
A method for protein structure sampling under three-dimensional reference interaction site model solvation based on hybrid Monte Carlo framework

Yoshida, N; Yamaguchi, T

JOURNAL OF MOLECULAR LIQUIDS 385 2023年09月01日

ISSN: 0167-7322

DOI
Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory

Watanabe, N; Hori, Y; Shoji, M; Boero, M; Shigeta, Y

CHIRALITY 35 ( 9 ) 645 - 651 2023年09月

ISSN: 0899-0042

DOI
Systematic elucidation of the second coordination sphere effect on the structure and properties of a blue copper protein, pseudoazurin

Yamaguchi, T; Taborosi, A; Sakai, C; Akao, K; Mori, S; Kohzuma, T

JOURNAL OF INORGANIC BIOCHEMISTRY 246 2023年09月

ISSN: 0162-0134

DOI
Theoretical analysis of the coordination-state dependency of the excited-state properties and ultrafast relaxation dynamics of bacteriochlorophyll a

Takabayashi, Y; Sato, H; Higashi, M

CHEMICAL PHYSICS LETTERS 826 2023年09月

ISSN: 0009-2614

DOI
Unique solvent effect of water in radical cyclization reaction

Suzuki, S; Govind, SA; Imamura, K; Yorimitsu, H; Shinokubo, H; Higashi, M; Sato, H

CHEMICAL PHYSICS LETTERS 826 2023年09月

ISSN: 0009-2614

DOI
Complex formation of Zinc(II) ion with acetonitrile in ionic liquid [C2mim][TFSA] studied by 15N NMR spectroscopy and DFT calculation

Maseda, M; Takamuku, T

JOURNAL OF MOLECULAR LIQUIDS 384 2023年08月15日

ISSN: 0167-7322

DOI
Generalized Dzyaloshinskii-Moriya Interaction and Chirality-Induced Phenomena in Chiral Crystals

Togawa, Y; Ovchinnikov, AS; Kishine, J

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 92 ( 8 ) 2023年08月15日

ISSN: 0031-9015

DOI
Ligand-Controlled Regiodivergence in Nickel-Catalyzed Vinylcyclopropane Rearrangement

Irifune, K; Yamazaki, K; Nakamuro, T; Murakami, M; Miura, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 62 ( 33 ) 2023年08月14日

ISSN: 1433-7851

DOI
Inversion of Diaza[5]Helicenes Through an N-N Bond Breaking Pathway

Kobayashi, T; Ishiwari, F; Fukushima, T; Nojima, Y; Hasegawa, M; Mazaki, Y; Hanaya, K; Sugai, T; Hi … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 29 ( 43 ) 2023年08月01日

ISSN: 0947-6539

DOI
In situ Formation of Solid Electrolyte during Lithiation Process of MgCl2 Anode in an All-Solid-State Lithium Battery

Inoishi, A; Suyama, M; Kobayashi, E; Okada, S; Sakaebe, H

BATTERIES & SUPERCAPS 6 ( 8 ) 2023年08月

DOI
Localised surface plasmon resonance inducing cooperative Jahn-Teller effect for crystal phase-change in a nanocrystal

Sakamoto, M; Hada, M; Ota, W; Uesugi, F; Sato, T

NATURE COMMUNICATIONS 14 ( 1 ) 2023年07月31日

DOI
Influence of vibronic interaction of charge transfer excitons in PTB7/BTA-based nonfullerene organic solar cells

Ikeyama, S; Muraoka, A

JOURNAL OF CHEMICAL PHYSICS 159 ( 4 ) 2023年07月28日

ISSN: 0021-9606

DOI
Tuning the ATP-ATP and ATP-disordered protein interactions in high ATP concentration by altering water models

Mori, T; Yoshida, N

JOURNAL OF CHEMICAL PHYSICS 159 ( 3 ) 2023年07月21日

ISSN: 0021-9606

DOI
Reversible Modulation of the Electronic and Spatial Environment around Ni(0) Centers Bearing Multifunctional Carbene Ligands with Triarylaluminum

Yamauchi, Y; Mondori, Y; Uetake, Y; Takeichi, Y; Kawakita, T; Sakurai, H; Ogoshi, S; Hoshimoto, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 145 ( 30 ) 16938 - 16947 2023年07月19日

ISSN: 0002-7863

DOI
Molecular Structure Related to an S =5/2 High-Spin S2 State Manganese Cluster of Photosystem II Investigated by Q-Band Pulse EPR Spectroscopy

Kosaki, S; Mino, H

JOURNAL OF PHYSICAL CHEMISTRY B 127 ( 29 ) 6441 - 6448 2023年07月18日

ISSN: 1520-6106

DOI
Note on Angular Momentum of Phonons in Chiral Crystals

Kato, A; Kishine, J

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 92 ( 7 ) 2023年07月15日

ISSN: 0031-9015

DOI
The structural basis of divalent cation block in a tetrameric prokaryotic sodium channel

Irie, K; Oda, Y; Sumikama, T; Oshima, A; Fujiyoshi, Y

NATURE COMMUNICATIONS 14 ( 1 ) 2023年07月15日

DOI
Theoretical study on counter anion- and solvent-dependent fluorescence quenching mechanism of 2-phenylbenzo[b]phospholium salts

Suzuki, S; Imamura, K; Fujii, K; Kimura, Y; Matano, Y; Higashi, M; Sato, H

JOURNAL OF MOLECULAR LIQUIDS 382 2023年07月15日

ISSN: 0167-7322

DOI
Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants

Moriyama, S; Anraku, Y; Taminishi, S; Adachi, Y; Kuroda, D; Kita, S; Higuchi, Y; Kirita, Y; Kotaki, … 全著者表示

NATURE COMMUNICATIONS 14 ( 1 ) 2023年07月14日

DOI
Amino-Ene Click Reaction of Electron-Deficient π-Conjugated Molecules with Negative Activation Enthalpies

Sanematsu, H; Nagata, Y; Takeuchi, M; Takai, A

CHEMISTRY-A EUROPEAN JOURNAL 29 ( 39 ) 2023年07月11日

ISSN: 0947-6539

DOI
Anesthetic Binding Induced Motion of GABAA Receptors Revealed by Coarse-Grained Molecular Dynamics Simulations

Nakata, S; Mori, Y; Tanaka, S

JOURNAL OF PHYSICAL CHEMISTRY B 127 ( 28 ) 6306 - 6315 2023年07月11日

ISSN: 1520-6106

DOI
Complex Energy Landscapes of Self-Assembled Vesicles

Luan, JB; Wang, D; Zhang, S; Miyazaki, Y; Shinoda, W; Wilson, DA

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 145 ( 28 ) 15496 - 15506 2023年07月10日

ISSN: 0002-7863

DOI
Lithium-Ion Dynamics in Sulfolane-Based Highly Concentrated Electrolytes

Ikeda, S; Tsuzuki, S; Sudoh, T; Shigenobu, K; Ueno, K; Dokko, K; Watanabe, M; Shinoda, W

JOURNAL OF PHYSICAL CHEMISTRY C 127 ( 28 ) 13837 - 13845 2023年07月07日

ISSN: 1932-7447

DOI
Origin of Stereoselectivity in a Mechanochemical Reaction of Diphenylfulvene and Maleimide

Sakai, W; Gonnet, L; Haruta, N; Sato, T; Baron, M

JOURNAL OF PHYSICAL CHEMISTRY A 127 ( 28 ) 5790 - 5794 2023年07月06日

ISSN: 1089-5639

DOI
A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships

Yamamoto, K; Matsui, S; Kato, S; Nakamura, Y

ORGANIC & BIOMOLECULAR CHEMISTRY 21 ( 26 ) 5398 - 5405 2023年07月05日

ISSN: 1477-0520

DOI
Highly Enantioselective Radical Cation [2+2] and [4+2] Cycloadditions by Chiral Iron(III) Photoredox Catalysis

Ohmura, S; Katagiri, K; Kato, H; Horibe, T; Miyakawa, S; Hasegawa, JY; Ishihara, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 145 ( 28 ) 15054 - 15060 2023年07月05日

ISSN: 0002-7863

DOI
Influence of oxygen coordination number on the electronic structure of single-layer La-based cuprates

Horio, M; Peiao, X; Miyamoto, M; Wada, T; Isomura, K; Osiecki, J; Thiagarajan, B; Polley, CM; Tanak … 全著者表示

PHYSICAL REVIEW B 108 ( 3 ) 2023年07月05日

ISSN: 2469-9950

DOI
Synthesis of Polysubstituted Enamides by Hydrogen Atom Transfer Alkene Isomerization Using Dual Cobalt/Photoredox Catalysis

Seino, Y; Yamaguchi, Y; Suzuki, A; Yamashita, M; Kamei, Y; Kamiyama, F; Yoshino, T; Kojima, M; Mats … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 29 ( 37 ) 2023年07月03日

ISSN: 0947-6539

DOI
Surface-exposed silver nanoclusters inside molecular metal oxide cavities

Yonesato, K; Yanai, D; Yamazoe, S; Yokogawa, D; Kikuchi, T; Yamaguchi, K; Suzuki, K

NATURE CHEMISTRY 15 ( 7 ) 940 - + 2023年07月

ISSN: 1755-4330

DOI
Visualization of air-induced oxidation in single crystalline LiFe0.6Mn0.4PO4 nanowires with carbon sheath using soft X-ray spectromicroscopy

Zhang, WX; Hosono, E; Asakura, D; Yuzawa, H; Ohigashi, T; Kobayashi, M; Kiuchi, H; Harada, Y

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 266 2023年07月

ISSN: 0368-2048

DOI
Iron Pivalate Complexes Containing PNN Pincer Ligand: Synthesis and Application to Dehydrogenative Hydrosilane Coupling

Kamitani, M; Kanemitsu, K; Yujiri, K; Yuge, H

ORGANOMETALLICS 42 ( 14 ) 1839 - 1848 2023年06月28日

ISSN: 0276-7333

DOI
Strong and Tunable Near-Infrared Circular Dichroism in Helical Tetrapyrrole Complexes

Urban, AJ; Yamamoto, HM

CHEMISTRY-A EUROPEAN JOURNAL 2023年06月28日

ISSN: 0947-6539

DOI
Extended Ensemble Molecular Dynamics Study of Ammonia-Cellulose I Complex Crystal Models: Free-Energy Landscape and Atomistic Pictures of Ammonia Diffusion in the Crystalline Phase

Yui, T; Uto, T; Noda, K

JOURNAL OF CHEMICAL INFORMATION AND MODELING 63 ( 13 ) 4088 - 4099 2023年06月27日

ISSN: 1549-9596

DOI
Photoluminescence Properties of Single-Walled Carbon Nanotubes Influenced by the Tether Length of Reagents with Two Reactive Sites

Konno, Y; Morooka, R; Morishita, T; Zhao, P; Miyasaka, N; Ono, K; Noda, A; Uchida, D; Iwasaki, R; Y … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 29 ( 36 ) 2023年06月27日

ISSN: 0947-6539

DOI
Finite temperature effects on the structural stability of Si-doped HfO2 using first-principles calculations

Harashima, Y; Koga, H; Ni, Z; Yonehara, T; Katouda, M; Notake, A; Matsui, H; Moriya, T; Si, MK; Has … 全著者表示

APPLIED PHYSICS LETTERS 122 ( 26 ) 2023年06月26日

ISSN: 0003-6951

DOI
Anisotropic and Finite Effects on Intermolecular Vibration and Relaxation Dynamics: Low-Frequency Raman Spectroscopy of Water Film and Droplet on Graphene by Molecular Dynamics Simulations

Inagaki, T; Hatanaka, M; Saito, S

JOURNAL OF PHYSICAL CHEMISTRY B 127 ( 26 ) 5869 - 5880 2023年06月21日

ISSN: 1520-6106

DOI
Li-Ion Transport and Solution Structure in Sulfolane-Based Localized High-Concentration Electrolytes

Sudoh, T; Ikeda, S; Shigenobu, K; Tsuzuki, S; Dokko, K; Watanabe, M; Shinoda, W; Ueno, K

JOURNAL OF PHYSICAL CHEMISTRY C 127 ( 25 ) 12295 - 12303 2023年06月20日

ISSN: 1932-7447

DOI
Nuclear quantum and H/D isotope effects on intramolecular hydrogen bond in curcumin

Udagawa, T; Yabushita, H; Tanaka, H; Kuwahata, K; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 ( 23 ) 15798 - 15806 2023年06月15日

ISSN: 1463-9076

DOI
Floating in Space: How to Treat the Weak Interaction between CO Molecules in Interstellar Ices

Ferrari, BC; Molpeceres, G; Kästner, J; Aikawa, Y; van Hemert, M; Meyer, J; Lamberts, T

ACS EARTH AND SPACE CHEMISTRY 7 ( 7 ) 1423 - 1432 2023年06月14日

ISSN: 2472-3452

DOI
Molecular Orientations of Myristic Acid Derivatives with Different Perfluoroalkyl Chain Lengths at the Air/Water Interface Evaluated by Heterodyne-Detected Sum Frequency Generation Spectroscopy

Nojima, Y; Shimoaka, T; Hasegawa, T; Ishibashi, TA

JOURNAL OF PHYSICAL CHEMISTRY C 127 ( 25 ) 12349 - 12356 2023年06月14日

ISSN: 1932-7447

DOI
Synthesis and structure of stannane-based molecular bevel gears having substituents on a tin linker

Hosono, S; Inagaki, Y; Setaka, W

ORGANIC & BIOMOLECULAR CHEMISTRY 21 ( 23 ) 4781 - 4787 2023年06月14日

ISSN: 1477-0520

DOI
Single-Molecule Magnetoluminescence from a Spatially Confined Persistent Diradical Emitter

Matsuoka, R; Kimura, S; Miura, T; Ikoma, T; Kusamoto, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 145 ( 25 ) 13615 - 13622 2023年06月13日

ISSN: 0002-7863

DOI
Synthesis and structural evaluation of closed-shell folded and open-shell twisted hexabenzo[5.6.7]quinarene

Nishiuchi, T; Uchida, K; Kubo, T

CHEMICAL COMMUNICATIONS 59 ( 48 ) 7379 - 7382 2023年06月13日

ISSN: 1359-7345

DOI
Chemoselectivity change in catalytic hydrogenolysis enabling urea-reduction to formamide/amine over more reactive carbonyl compounds

Iwasaki, T; Tsuge, K; Naito, N; Nozaki, K

NATURE COMMUNICATIONS 14 ( 1 ) 2023年06月12日

DOI
Efficient Transformation of Polymer Main Chain Catalyzed by Macrocycle Metal Complexes via Pseudorotaxane Intermediate

Takata, T; Yamamoto, K; Higuchi, K; Ogawa, M; Kawasaki, A; Mizuno, S; Iwasaki, H; Nagashima, M; Hay … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 62 ( 24 ) 2023年06月12日

ISSN: 1433-7851

DOI
Ion Recognition beyond Size Matching: Cooperative Hydration Effect on the K+ Selectivity of Valinomycin over Na+ Revealed by Cryogenic Double Ion Trap Infrared Spectroscopy

Hirata, K; Sato, E; Lisy, JM; Ishiuchi, SI; Fujii, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 14 ( 24 ) 5567 - 5572 2023年06月12日

ISSN: 1948-7185

DOI
Metastability and fragmentation of the OCS3+ states produced by S 2p double Auger decay

Hikosaka, Y

JOURNAL OF CHEMICAL PHYSICS 158 ( 21 ) 2023年06月07日

ISSN: 0021-9606

DOI
Polymorphs of Titanium Dioxide: An Assessment of the Variants of Projector Augmented Wave Potential of Titanium on Their Geometric and Dielectric Properties

Varadwaj, PR; Dinh, VA; Morikawa, Y; Asahi, R

ACS OMEGA 8 ( 24 ) 22003 - 22017 2023年06月07日

ISSN: 2470-1343

DOI
Site-selective heat current analysis of α-helical protein with linear-homopolymer-like model

Wang, TT; Yamato, T; Sugiura, W

JOURNAL OF CHEMICAL PHYSICS 158 ( 21 ) 2023年06月07日

ISSN: 0021-9606

DOI
1T/1H-SnS2 Sheets for Electrochemical CO2 Reduction to Formate

Kawabe, Y; Ito, Y; Hori, Y; Kukunuri, S; Shiokawa, F; Nishiuchi, T; Jeong, S; Katagiri, K; Xi, ZY; … 全著者表示

ACS NANO 17 ( 12 ) 11318 - 11326 2023年06月05日

ISSN: 1936-0851

DOI
Structural and Dynamic Alteration of Glycated Human Serum Albumin in Schiff Base and Amadori Adducts: A Molecular Simulation Study

Sittiwanichai, S; Japrung, D; Mori, T; Pongprayoon, P

JOURNAL OF PHYSICAL CHEMISTRY B 127 ( 23 ) 5230 - 5240 2023年06月02日

ISSN: 1520-6106

DOI
Asymmetric anion effects of anions in ionic liquids: Crystal polymorphs and magnetic properties

Abe, H; Kobayashi, S; Ogawa, K; Imai, K; Koshiji, K; Hoshino, M; Hirano, T; Hata, Y; Kishimura, H; … 全著者表示

CHEMICAL PHYSICS 570 2023年06月01日

ISSN: 0301-0104

DOI
Single-walled carbon nanotube growth from Ni catalyst particles under conventional growth conditions by alcohol catalytic chemical vapor deposition: in situ X-ray absorption fine structure study

Karasawa, S; Saida, T; Sharma, KP; Naritsuka, S; Maruyama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 62 ( SG ) 2023年06月01日

ISSN: 0021-4922

DOI
Imaging single CaMKII holoenzymes at work by high-speed atomic force microscopy

Tsujioka, S; Sumino, A; Nagasawa, Y; Sumikama, T; Flechsig, H; Puppulin, L; Tomita, T; Baba, Y; Kak … 全著者表示

SCIENCE ADVANCES 9 ( 26 ) 2023年06月

ISSN: 2375-2548

DOI
Revised chlorophyll-a algorithms for satellite ocean color sensors in the East/Japan Sea

Ryu, J; Son, S; Jo, CO; Kim, H; Kim, Y; Lee, SH; Joo, H

REGIONAL STUDIES IN MARINE SCIENCE 60 2023年06月

ISSN: 2352-4855

DOI
Role of Vibronic Couplings and Energy Gap in the Internal Conversion Process of a Molecule

Ota, W; Ima, M; Sato, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 96 ( 6 ) 582 - 590 2023年06月

ISSN: 0009-2673

DOI
Copper-catalyzed [1,3]-nitrogen rearrangement of O-aryl ketoximes via oxidative addition of N-O bond in inverse electron flow

Suzuki, M; Terada, M; Nakamura, I

CHEMICAL SCIENCE 14 ( 21 ) 5705 - 5711 2023年05月31日

ISSN: 2041-6520

DOI
Incorporation of a bromine atom into DNA-related molecules changes their electronic properties

Hirato, M; Yokoya, A; Baba, Y; Mori, S; Fujii, K; Wada, S; Izumi, Y; Haga, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 ( 21 ) 14836 - 14847 2023年05月31日

ISSN: 1463-9076

DOI
Stability and bonding nature of positronic lithium molecular dianion

Ito, S; Yoshida, D; Kita, Y; Shimazaki, T; Tachikawa, M

JOURNAL OF CHEMICAL PHYSICS 158 ( 20 ) 2023年05月28日

ISSN: 0021-9606

DOI
Coiled-coil chains with Cis-conformations of Poly(7,7,8,8-tetrakis (ethoxycarbonyl)-p-quinodimethane) in solution on the basis of 1D monomer assemblies

Itoh, T; Uno, T; Kubo, M; Tohnai, N; Sanda, F; Miyata, M

EUROPEAN POLYMER JOURNAL 190 2023年05月25日

ISSN: 0014-3057

DOI
Photoinduced crystal melting with luminescence evolution based on conformational isomerisation

Komura, M; Sotome, H; Miyasaka, H; Ogawa, T; Tani, Y

CHEMICAL SCIENCE 14 ( 20 ) 5302 - 5308 2023年05月24日

ISSN: 2041-6520

DOI
An exa-scale high-performance molecular dynamics simulation program: MODYLAS

Andoh, Y; Ichikawa, S; Sakashita, T; Fujimoto, K; Yoshii, N; Nagai, T; Tang, ZY; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 158 ( 19 ) 2023年05月21日

ISSN: 0021-9606

DOI
A Catalytic Alkylation of Ketones via sp3 C-H Bond Activation

Peng, X; Hirao, Y; Yabu, S; Sato, H; Higashi, M; Akai, T; Masaoka, S; Mitsunuma, H; Kanai, M

JOURNAL OF ORGANIC CHEMISTRY 88 ( 10 ) 6333 - 6346 2023年05月19日

ISSN: 0022-3263

DOI
Structure and Heterogeneity of Retinal Chromophore in Chloride Pump Rhodopsins Revealed by Raman Optical Activity

Ohya, M; Kikukawa, T; Matsuo, J; Tsukamoto, T; Nagaura, R; Fujisawa, T; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY B 127 ( 21 ) 4775 - 4782 2023年05月18日

ISSN: 1520-6106

DOI
Antithetic effects of agonists and antagonists on the structural fluctuations of TRPV1 channel

Sumino, A; Zhao, YM; Mukai, D; Sumikama, T; Puppulin, L; Hattori, M; Shibata, M

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 120 ( 20 ) 2023年05月16日

ISSN: 0027-8424

DOI
Bifunctional Iminophosphorane-Catalyzed Enantioselective Nitroalkane Addition to Unactivated α,β-Unsaturated Esters

Rozsar, D; Farley, AJM; McLauchlan, I; Shennan, BDA; Yamazaki, K; Dixon, DJ

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 62 ( 21 ) 2023年05月15日

ISSN: 1433-7851

DOI
Panchromatic Pt/TiO2-Based Photocatalysts Sensitized with Carboxylated Chlorin Dyads for Water Splitting Hydrogen Evolution

Zheng, TF; Liu, YX; Li, YL; Yang, L; Ren, HC; Wang, XF; Fujii, R; Kitao, O; Nakamura, T; Sasaki, SI

APPLIED SURFACE SCIENCE 619 2023年05月15日

ISSN: 0169-4332

DOI
Electrochemical Synthesis of Sultone Derivatives via Dehydrogenative C-O Bond Formation

Mitsudo, K; Okumura, Y; Yohena, K; Kurimoto, Y; Sato, E; Suga, S

ORGANIC LETTERS 25 ( 19 ) 3476 - 3481 2023年05月09日

ISSN: 1523-7060

DOI
An Engineered Synthetic Receptor-Aptamer Pair for an Artificial Signal Transduction System

Liu, HR; Baeumler, TA; Nakamura, K; Okada, Y; Cho, SJ; Eguchi, A; Kuroda, D; Tsumoto, K; Ueki, R; S … 全著者表示

ACS NANO 17 ( 10 ) 9039 - 9048 2023年05月08日

ISSN: 1936-0851

DOI
Low-Temperature Dehydrogenation of Cyclooctane by Using Pincer Iridium Complexes Bearing an N,N′-Diarylated PNCNP Ligand

Uno, N; Nakano, R; Yamashita, M

ACS CATALYSIS 13 ( 10 ) 6956 - 6965 2023年05月08日

ISSN: 2155-5435

DOI
Revealing the hidden dynamics of confined water in acrylate polymers: Insights from hydrogen-bond lifetime analysis

Shikata, K; Kikutsuji, T; Yasoshima, N; Kim, K; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 158 ( 17 ) 2023年05月07日

ISSN: 0021-9606

DOI
Optimization of General Molecular Properties in the Equilibrium Geometry Using Quantum Alchemy: An Inverse Molecular Design Approach

Shiraogawa, T; Hasegawa, JY

JOURNAL OF PHYSICAL CHEMISTRY A 127 ( 19 ) 4345 - 4353 2023年05月05日

ISSN: 1089-5639

DOI
Catalytic enantioselective nucleophilic desymmetrization of phosphonate esters

Formica, M; Rogova, T; Shi, HY; Sahara, N; Ferko, B; Farley, AJM; Christensen, KE; Duarte, F; Yamaz … 全著者表示

NATURE CHEMISTRY 2023年05月01日

ISSN: 1755-4330

DOI
Dietary and microbiome evidence in multiple myeloma and other plasma cell disorders

Shah, UA; Parikh, R; Castro, F; Bellone, M; Lesokhin, AM

LEUKEMIA 37 ( 5 ) 964 - 980 2023年05月

ISSN: 0887-6924

DOI
Heme protein identified from scaly-foot gastropod can synthesize pyrite (FeS2) nanoparticles

Yamashita, T; Matsuda, H; Koizumi, K; Thirumalaisamy, L; Kim, M; Negishi, L; Kurumizaka, H; Tominag … 全著者表示

ACTA BIOMATERIALIA 162 110 - 119 2023年05月

ISSN: 1742-7061

DOI
Structural dynamics of the N-terminal SH2 domain of PI3K in its free and CD28-bound states

Hosoe, Y; Miyanoiri, Y; Re, S; Ochi, S; Asahina, Y; Kawakami, T; Kuroda, M; Mizuguchi, K; Oda, M

FEBS JOURNAL 290 ( 9 ) 2366 - 2378 2023年05月

ISSN: 1742-464X

DOI
Bifunctional 1-Hydroxypyrene Photocatalyst for Hydrodesulfurization via Reductive C(Aryl)-S Bond Cleavage

Wu, D; Shiozuka, A; Kawashima, K; Mori, T; Sekine, K; Kuninobu, Y

ORGANIC LETTERS 25 ( 18 ) 3293 - 3297 2023年04月28日

ISSN: 1523-7060

DOI
Theoretical Analysis of the Role of Water in Ligand Binding to Cucurbit[n]uril of Different Sizes

Chiangraeng, N; Nakano, H; Nimmanpipug, P; Yoshida, N

JOURNAL OF PHYSICAL CHEMISTRY B 127 ( 16 ) 3651 - 3662 2023年04月27日

ISSN: 1520-6106

DOI
Molecular Mechanisms of Functional Modulation of Transcriptional Coactivator PC4 via Phosphorylation on Its Intrinsically Disordered Region

Xie, QL; Kasahara, K; Higo, J; Takahashi, T

ACS OMEGA 8 ( 16 ) 14572 - 14582 2023年04月25日

ISSN: 2470-1343

DOI
Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity

Hamaguchi, K; Lu, HJ; Okamura, S; Kajiyama, S; Uchida, J; Sato, S; Watanabe, G; Ishii, Y; Washizu, … 全著者表示

CHEMPHYSCHEM 24 ( 8 ) 2023年04月17日

ISSN: 1439-4235

DOI
Observation of Electronic Structure Modification in the Hidden Order Phase of CeCoSi

Kimura, S; Watanabe, H; Tatsukawa, S; Tanida, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 92 ( 4 ) 2023年04月15日

ISSN: 0031-9015

DOI
Time domain double slit interference of electron produced by XUV synchrotron radiation

Kaneyasu, T; Hikosaka, Y; Wada, S; Fujimoto, M; Ota, H; Iwayama, H; Katoh, M

SCIENTIFIC REPORTS 13 ( 1 ) 2023年04月15日

ISSN: 2045-2322

DOI
COSMO-RS Exploration of Highly CO2-Selective Hydrogen-Bonded Binary Liquid Absorbents under Humid Conditions: Role of Trace Ionic Species

Watabe, S; Kuroki, N; Mori, H

ACS OMEGA 8 ( 16 ) 14478 - 14483 2023年04月14日

ISSN: 2470-1343

DOI
Dipole Cooperativity and Polarization Frustration Determine the Secondary Structure Distribution of Short Alanine Peptides in Water

Yuan, Y; Wang, F

JOURNAL OF PHYSICAL CHEMISTRY B 127 ( 14 ) 3126 - 3138 2023年04月13日

ISSN: 1520-6106

DOI
Electronic Interaction between Aromatic Chromophores in Dibenzo- Crown Ether Complexes with Alkali Metal Ions Investigated via Cold Gas-Phase Spectroscopy

Kida, M; Ujihira, T; Kubo, M; Muramatsu, S; Ebata, T; Inokuchi, Y

JOURNAL OF PHYSICAL CHEMISTRY A 127 ( 14 ) 3210 - 3220 2023年04月13日

ISSN: 1089-5639

DOI
Deprotonation-Induced and Ion-Pairing-Modulated Diradical Properties of Partially Conjugated Pyrrole-Quinone Conjunction

Sugiura, S; Kubo, T; Haketa, Y; Hori, Y; Shigeta, Y; Sakai, H; Hasobe, T; Maeda, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 145 ( 14 ) 8122 - 8129 2023年04月12日

ISSN: 0002-7863

DOI
Lithium-Mediated Mechanochemical Cyclodehydrogenation

Fujishiro, K; Morinaka, Y; Ono, Y; Tanaka, T; Scott, LT; Ito, H; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 145 ( 14 ) 8163 - 8175 2023年04月12日

ISSN: 0002-7863

DOI
One-step synthesis of polycyclic thianthrenes from unfunctionalized aromatics by thia-APEX reactions

Kawahara, KP; Ito, H; Itami, K

ORGANIC CHEMISTRY FRONTIERS 10 ( 8 ) 1880 - 1889 2023年04月11日

ISSN: 2052-4129

DOI
Syntheses, Characterizations, Crystal Structures, and Protonation Reactions of Dinitrogen Chromium Complexes Supported with Triamidoamine Ligands

Kokubo, Y; Tsuzuki, K; Sugiura, H; Yomura, S; Wasada-Tsutsui, Y; Ozawa, T; Yanagisawa, S; Kubo, M; … 全著者表示

INORGANIC CHEMISTRY 62 ( 14 ) 5320 - 5333 2023年04月10日

ISSN: 0020-1669

DOI
Application of Monoferrocenylsumanenes Derived from Sonogashira Cross-Coupling or Click Chemistry Reactions in Highly Sensitive and Selective Cesium Cation Electrochemical Sensors

Kasprzak, A; Gajda-Walczak, A; Kowalczyk, A; Wagner, B; Nowicka, AM; Nishimoto, M; Koszytkowska-Sta … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 88 ( 7 ) 4199 - 4208 2023年04月07日

ISSN: 0022-3263

DOI
Theoretical insights into the support effect on the NO activation over platinum-group metal catalysts

Zhao, P; Ehara, M

JOURNAL OF CHEMICAL PHYSICS 158 ( 13 ) 2023年04月07日

ISSN: 0021-9606

DOI
Exploration of LPS2 agonist binding modes using the combination of a new hydrophobic scaffold and homology modeling

Chen, LY; Uwamizu, A; Kano, K; Otani, Y; Kondo, S; Inoue, A; Aoki, J; Ohwada, T

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 252 2023年04月05日

ISSN: 0223-5234

DOI
Structure and mechanism of oxalate transporter OxlT in an oxalate-degrading bacterium in the gut microbiota

Jaunet-Lahary, T; Shimamura, T; Hayashi, M; Nomura, N; Hirasawa, K; Shimizu, T; Yamashita, M; Tsuts … 全著者表示

NATURE COMMUNICATIONS 14 ( 1 ) 2023年04月03日

DOI
Effect of lattice constraint on structural stability and miscibility of (Al x Ga1-x )2O3 films: a first-principles study

Fujita, S; Akiyama, T; Kawamura, T; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 62 ( SC ) 2023年04月01日

ISSN: 0021-4922

DOI
First-principles study for self-limiting growth of GaN layers on AlN(0001) surface

Sokudo, H; Akiyama, T; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 62 ( SC ) 2023年04月01日

ISSN: 0021-4922

DOI
Experimental Identification of Atomic Orbital Contributions to SnS Valence Band using Polarization-Dependent Angle-Resolved Photoemission Spectroscopy

Suzuki, I; Kawanishi, S; Tanaka, K; Omata, T; Tanaka, SI

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 260 ( 4 ) 2023年04月

ISSN: 0370-1972

DOI
Growth and scintillation properties of Ce 3+:LuAG-Al2O3 chemically deposited eutectics

Matsumoto, S; Kurosawa, S; Yokoe, D; Kimura, T; Ito, A

OPTICAL MATERIALS 138 2023年04月

ISSN: 0925-3467

DOI
Lipophilic N-Hydroxyimide Derivatives: Design, Synthesis, and Application to Aerobic Alkane Oxidation Under Neat Conditions

Kaneiwa, T; Yamada, K; Nakano, R; Yamashita, M

CHEMPLUSCHEM 88 ( 4 ) 2023年04月

ISSN: 2192-6506

DOI
Molecule-Electrode Interfaces Controlled by Bulky Long-Legged Ligands in Organometallic Molecular Wires

Tanaka, Y; Bae, Y; Ogasawara, F; Suzuki, K; Kobayashi, S; Kaneko, S; Fujii, S; Nishino, T; Akita, M

ADVANCED MATERIALS INTERFACES 10 ( 11 ) 2023年04月

ISSN: 2196-7350

DOI
Molecular mechanism on forcible ejection of ATPase inhibitory factor 1 from mitochondrial ATP synthase

Kobayashi, R; Ueno, H; Okazaki, KI; Noji, H

NATURE COMMUNICATIONS 14 ( 1 ) 2023年03月31日

DOI
First-principles study on unidirectional proton transfer on anatase TiO2 (101) surface induced by external electric fields

Chiba, T; Iida, K; Furukawa, S; Hasegawa, JY

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 ( 13 ) 9454 - 9460 2023年03月29日

ISSN: 1463-9076

DOI
Fragment imaging in the infrared photodissociation of the Ar-tagged protonated water clusters H3O+-Ar and H+(H2O)2-Ar

Ito, Y; Kominato, M; Nakashima, Y; Ohshimo, K; Misaizu, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 ( 13 ) 9404 - 9412 2023年03月29日

ISSN: 1463-9076

DOI
Experimental and theoretical studies of the rhodium(i)-catalysed C-H oxidative alkenylation/cyclization of N-(2-(methylthio)phenyl)benzamides with maleimides

Skhiri, A; Taborosi, A; Ohara, N; Ano, Y; Mori, S; Chatani, N

ORGANIC CHEMISTRY FRONTIERS 10 ( 7 ) 1617 - 1625 2023年03月28日

ISSN: 2052-4129

DOI
Investigation of Multi-ionization Processes of Kr and Xe Using Short-pulse X-rays and Time-of-flight Apparatus

Gejo, T; Tanaka, Y; Sakano, T; Takeuchi, S; Takahashi, O; Osawa, H; Sugimoto, K; Tamasaku, K; Oura, … 全著者表示

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 56 ( 6 ) 2023年03月28日

ISSN: 0953-4075

DOI
Selective Oxidation of Sulfuric Acid to Peroxydisulfuric Acid on a Tungsten Trioxide Anode

Kusama, H; Kodera, M; Sayama, K

CHEMISTRYSELECT 8 ( 12 ) 2023年03月28日

ISSN: 2365-6549

DOI
Spin relaxation, diffusion, and Edelstein effect in chiral metal surface

Suzuki, Y; Kato, Y

PHYSICAL REVIEW B 107 ( 11 ) 2023年03月27日

ISSN: 2469-9950

DOI
Tuning the mechanoresponsive luminescence of rotaxane mechanophores by varying the stopper size

Hiratsuka, K; Muramatsu, T; Seki, T; Weder, C; Watanabe, G; Sagara, Y

JOURNAL OF MATERIALS CHEMISTRY C 11 ( 12 ) 3949 - 3955 2023年03月23日

ISSN: 2050-7526

DOI
Real-time observation of the Woodward-Hoffmann rule for 1,3-cyclohexadiene by femtosecond soft X-ray transient absorption

Sekikawa, T; Saito, N; Kurimoto, Y; Ishii, N; Mizuno, T; Kanai, T; Itatani, J; Saita, K; Taketsugu, … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 ( 12 ) 8497 - 8506 2023年03月22日

ISSN: 1463-9076

DOI
Chemical-state distributions in charged LiCoO2 cathode particles visualized by soft X-ray spectromicroscopy

Zhang, W; Hosono, E; Asakura, D; Yuzawa, H; Ohigashi, T; Kobayashi, M; Kiuchi, H; Harada, Y

SCIENTIFIC REPORTS 13 ( 1 ) 2023年03月21日

ISSN: 2045-2322

DOI
Synthesis and fluorescence properties of 9,9-dimethylfluorene-diyl bridged molecular gyrotops: effects of slight fluorophore motion on fluorescence efficiency in the solid state

Yoshizawa, R; Inagaki, Y; Momma, H; Kwon, E; Ohara, K; Yamaguchi, K; Setaka, W

NEW JOURNAL OF CHEMISTRY 47 ( 12 ) 5946 - 5952 2023年03月20日

ISSN: 1144-0546

DOI
Phenothiazine-, Dihydroacridine-, and Acridone-Based Boron Difluoride Complexes: Synthesis and Structure-Property Relationships

Yamamoto, K; Imai, W; Kanamori, S; Yamamoto, K; Nakamura, Y

JOURNAL OF ORGANIC CHEMISTRY 88 ( 6 ) 4003 - 4007 2023年03月17日

ISSN: 0022-3263

DOI
Negative fragmentation approach for investigating the depolarization effect of neighboring residues on hydrogen bonds in ?-helix

Kondo, HX; Nakamura, H; Takano, Y

CHEMICAL PHYSICS LETTERS 815 2023年03月16日

ISSN: 0009-2614

DOI
Synthesis and molecular structural studies of racemic chiral-at-vanadium(v) complexes using an unsymmetric achiral phenolic bidentate ligand

Nagata, K; Hino, A; Ube, H; Sato, H; Shionoya, M

DALTON TRANSACTIONS 52 ( 11 ) 3295 - 3299 2023年03月14日

ISSN: 1477-9226

DOI
Intramolecular cyclization reactions of arylpropargyl amides of electron-deficient α,β-alkenyl carboxylates and related compounds

Wang, ZC; Yamazaki, S; Morimoto, T; Takashima, H; Nakaoku, A; Shimizu, M; Ogawa, A

ORGANIC & BIOMOLECULAR CHEMISTRY 21 ( 10 ) 2172 - 2187 2023年03月08日

ISSN: 1477-0520

DOI
Structurally well-defined conjugated meso-aminoporphyrin oligomers analogous to polyanilines

Yamashita, K; Takeuchi, S; Sugiura, K

CHEMICAL SCIENCE 14 ( 10 ) 2735 - 2744 2023年03月08日

ISSN: 2041-6520

DOI
Direct Suzuki-Miyaura Coupling of Naphthalene-1,8-diaminato (dan)-Substituted Cyclopropylboron Compounds

Koishi, M; Tomota, K; Nakamoto, M; Yoshida, H

ADVANCED SYNTHESIS & CATALYSIS 365 ( 5 ) 682 - 686 2023年03月07日

ISSN: 1615-4150

DOI
Near-white light emission from single crystals of cationic dinuclear gold(i) complexes with bridged diphosphine ligands

Osawa, M; Soma, S; Kobayashi, H; Tanaka, Y; Hoshino, M

DALTON TRANSACTIONS 52 ( 10 ) 2956 - 2965 2023年03月07日

ISSN: 1477-9226

DOI
Machine-Learning Classification for the Prediction of Catalytic Activity of Organic Photosensitizers in the Nickel(II)-Salt-Induced Synthesis of Phenols

Noto, N; Yada, A; Yanai, T; Saito, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 62 ( 11 ) 2023年03月06日

ISSN: 1433-7851

DOI
Pentagon-Fused Sumanenes on the Aromatic Peripheries en Route to the Bottom-Up Synthesis of Fullerenes

Nakazawa, H; Uetake, Y; Yakiyama, Y; Sakurai, H

SYNLETT 34 ( 4 ) 374 - 378 2023年03月01日

ISSN: 0936-5214

DOI
Singlet fission as a polarized spin generator for dynamic nuclear polarization

Kawashima, Y; Hamachi, T; Yamauchi, A; Nishimura, K; Nakashima, Y; Fujiwara, S; Kimizuka, N; Ryu, T … 全著者表示

NATURE COMMUNICATIONS 14 ( 1 ) 2023年03月01日

DOI
A Theoretical Study on Rate Constants of Excited State Proton Transfer Reaction in Anthracene-Urea Derivatives

Onozawa, S; Nishimura, Y; Matsui, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 96 ( 3 ) 215 - 222 2023年03月

ISSN: 0009-2673

DOI
Synergistic Surface Modification of Tin-Lead Perovskite Solar Cells

Hu, SF; Zhao, P; Nakano, K; Oliver, RDJ; Pascual, J; Smith, JA; Yamada, T; Truong, MA; Murdey, R; S … 全著者表示

ADVANCED MATERIALS 35 ( 9 ) 2023年03月

ISSN: 0935-9648

DOI
Thermodynamics and Kinetics of a Partial Peptide of K plus Channels: DFT Transition State Calculations Coupled with Temperature-Controlled Gas Phase Laser Spectroscopy

Suzuki, Y; Hirata, K; Lisy, JM; Ishiuchi, S; Fujii, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 96 ( 3 ) 310 - 317 2023年03月

ISSN: 0009-2673

DOI
Phase equilibrium of three-component liquid systems composed of water, alcohol, and sodium chloride studied by the reference interaction-site model integral equation theory

Yamaguchi, T; Chong, SH; Yoshida, N

JOURNAL OF CHEMICAL PHYSICS 158 ( 8 ) 2023年02月28日

ISSN: 0021-9606

DOI
Machine Learning-Boosted Design of Ionic Liquids for CO2 Absorption and Experimental Verification

Kuroki, N; Suzuki, Y; Kodama, D; Chowdhury, FA; Yamada, H; Mori, H

JOURNAL OF PHYSICAL CHEMISTRY B 2022 - 2027 2023年02月24日

ISSN: 1520-6106

DOI
Nanoscale and Real-Time Nuclear-Electronic Dynamics Simulation Study of Charge Transfer at the Donor-Acceptor Interface in Organic Photovoltaics

Uratani, H; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2292 - 2300 2023年02月24日

ISSN: 1948-7185

DOI
One-Pot Synthesis of Dihydropyrans via CO2 Reduction and Domino Knoevenagel/oxa-Diels-Alder Reactions

Takaishi, K; Nishimura, R; Toda, Y; Morishita, H; Ema, T

ORGANIC LETTERS 2023年02月24日

ISSN: 1523-7060

DOI
Theoretical and Experimental Investigations of Stable Arylfluorene-Based Radical-Type Mechanophores

Sugita, H; Lu, Y; Aoki, D; Otsuka, H; Mikami, K

CHEMISTRY-A EUROPEAN JOURNAL 29 ( 12 ) 2023年02月24日

ISSN: 0947-6539

DOI
Raman Spectroscopic and DFT Study of COA-Cl and Its Analogues

Umakoshi, T; Urakami, T; Kidoguchi, H; Yang, KS; Verma, P; Sato, H; Higashi, M; Tsukamoto, I

JOURNAL OF PHYSICAL CHEMISTRY A 2023年02月21日

ISSN: 1089-5639

DOI
Triplet Delocalization over the Reaction Center Chlorophylls in Photosystem II

Hayase, T; Shimada, Y; Mitomi, T; Nagao, R; Noguchi, T

JOURNAL OF PHYSICAL CHEMISTRY B 1758 - 1770 2023年02月21日

ISSN: 1520-6106

DOI
Theoretical Study on Thermal Structural Fluctuation Effects of Intermolecular Configurations on Singlet Fission in Pentacene Crystal Models

Tonami, T; Miyamoto, H; Nakano, M; Kishi, R; Kitagawa, Y

JOURNAL OF PHYSICAL CHEMISTRY A 1883 - 1893 2023年02月17日

ISSN: 1089-5639

DOI
Effects of introducing nitrogen atoms into oligoacene skeleton on vibronic coupling and singlet fission dynamics

Tonami, T; Nakano, M; Kishi, R; Kitagawa, Y

CHEMICAL PHYSICS LETTERS 813 2023年02月16日

ISSN: 0009-2614

DOI
Efficiency of electron doping to monolayer hexagonal boron nitride by alkali metals

Ichinokura, S; Hemmi, A; Cun, H; Tanaka, K; Shimizu, R; Hitosugi, T; Greber, T; Hirahara, T

APPLIED PHYSICS LETTERS 122 ( 7 ) 2023年02月13日

ISSN: 0003-6951

DOI
Base-Stabilized Neutral Oxoborane and Thioxoborane Supported by a Bis(oxazolinyl)(phenyl)methanide Ligand

Nakano, R; Yamanashi, R; Yamashita, M

CHEMISTRY-A EUROPEAN JOURNAL 29 ( 9 ) 2023年02月10日

ISSN: 0947-6539

DOI
3,11-Diaminodibenzo[a,j]phenazine: Synthesis, Properties, and Applications to Troger's Base-Forming Ladder Polymerization

Izumi, S; Inoue, K; Nitta, Y; Enjou, T; Ami, T; Oka, K; Tohnai, N; Minakata, S; Fukushima, T; Ishiw … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL ( 14 ) 2023年02月08日

ISSN: 0947-6539

DOI
Hydration-induced protomer switching in p-aminobenzoic acid studied by cold double ion trap infrared spectroscopy

Akasaka, K; Hirata, K; Haddad, F; Dopfer, O; Ishiuchi, S; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 ( 6 ) 4481 - 4488 2023年02月08日

ISSN: 1463-9076

DOI
One-Electron Injection-triggered Radical Reaction of Alkyl Benzoates Promoted by 1,4-Bis(diphenylamino)benzene Photocatalysis

Koike, T; Okumura, R; Kato, T; Abe, M; Akita, M

CHEMCATCHEM 15 ( 3 ) 2023年02月08日

ISSN: 1867-3880

DOI
Electrochemical Synthesis of Hetero[7]helicenes Containing Pyrrole and Furan Rings via an Oxidative Heterocoupling and Dehydrative Cyclization Sequence

Salem, MSH; Khalid, MI; Sako, M; Higashida, K; Lacroix, C; Kondo, M; Takishima, R; Taniguchi, T; Mi … 全著者表示

ADVANCED SYNTHESIS & CATALYSIS 365 ( 3 ) 373 - 380 2023年02月07日

ISSN: 1615-4150

DOI
Characterization of the Geometrical and Electronic Structures of the Active Site and Its Effects on the Surrounding Environment in Reduced High-Potential Iron-Sulfur Proteins Investigated by the Density Functional Theory Approach

Sato, A; Hori, Y; Shigeta, Y

INORGANIC CHEMISTRY 62 ( 5 ) 2040 - 2048 2023年02月06日

ISSN: 0020-1669

DOI
A phase variety of fluorinated ionic liquids: Molecular conformational and crystal polymorph

Abe, H; Kishimura, H; Uruichi, M

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 286 2023年02月05日

ISSN: 1386-1425

DOI
Ingenuity in performing replica permutation: How to order the state labels for improving sampling efficiency

Fukuhara, D; Yamauchi, M; Itoh, SG; Okumura, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 44 ( 4 ) 534 - 545 2023年02月05日

ISSN: 0192-8651

DOI
Trapping of a Mononitrosyl Nonheme Intermediate of Nitric Oxide Reductase by Cryo-Photolysis of Caged Nitric Oxide

Takeda, H; Shimba, K; Horitani, M; Kimura, T; Kubo, M; Nomura, T; Tosha, T; Shiro, Y

JOURNAL OF PHYSICAL CHEMISTRY B 127 ( 4 ) 846 - 854 2023年02月02日

ISSN: 1520-6106

DOI
Isolation, structural determination, and antiviral activities of metabolites from vanitaracin A-producing Talaromyces sp.

Kamisuki, S; Shibasaki, H; Murakami, H; Fujino, K; Tsukuda, S; Kojima, I; Ashikawa, K; Kanno, K; Is … 全著者表示

JOURNAL OF ANTIBIOTICS 76 ( 2 ) 75 - 82 2023年02月

ISSN: 0021-8820

DOI
Aiming for dynamic behaviours of molecular metal chains

Tanase, T; Nakamae, K; Ura, Y; Nakajima, T

DALTON TRANSACTIONS 52 ( 5 ) 1147 - 1158 2023年01月31日

ISSN: 1477-9226

DOI
Analytical model of critical buckling transition for smectic liquid crystal based on the viscoelastic scaling of coarse-grained molecular dynamics

Sakamoto, M; Hanasaki, I

PHYSICAL REVIEW E 107 ( 1 ) 2023年01月31日

ISSN: 2470-0045

DOI
1-Fluoro-1-sulfonyloxylation of Alkenes by Sterically and Electronically Tuned Hypervalent Iodine: Regression Analysis toward 1,1-Heterodifunctionalization

Fujie, M; Mizufune, K; Nishimoto, Y; Yasuda, M

ORGANIC LETTERS 2023年01月29日

ISSN: 1523-7060

DOI
Copper-Catalyzed Stereoselective Borylation and Palladium-Catalyzed Stereospecific Cross-Coupling to Give Aryl C-Glycosides

Kurahayashi, K; Hanaya, K; Sugai, T; Hirai, G; Higashibayashi, S

CHEMISTRY-A EUROPEAN JOURNAL 29 ( 6 ) 2023年01月27日

ISSN: 0947-6539

DOI
Controlling Near-Infrared Photoluminescence Properties of Single-Walled Carbon Nanotubes by Substituent Effect in Stepwise Chemical Functionalization

Maeda, Y; Morooka, R; Zhao, P; Uchida, D; Konno, Y; Yamada, M; Ehara, M

JOURNAL OF PHYSICAL CHEMISTRY C 2023年01月24日

ISSN: 1932-7447

DOI
On donor-acceptor-bridging intramolecular hydrogen bonds in NIR-TADF molecules

Weber, F; Mori, H

RSC ADVANCES 13 ( 6 ) 3942 - 3946 2023年01月24日

DOI
Photoinduced One-Pot Synthesis of a Chromium Germylyne Complex and Its Formation Mechanism

Nagata, K; Omura, H; Matsuoka, M; Tobita, H; Hashimoto, H

ORGANOMETALLICS 42 ( 11 ) 1131 - 1138 2023年01月23日

ISSN: 0276-7333

DOI
TEtraQuinolines: A Missing Link in the Family of Porphyrinoid Macrocycles

Xu, W; Nagata, Y; Kumagai, N

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2023年01月23日

ISSN: 0002-7863

DOI
Direct Elucidation of the Vibrationally Averaged Structure of Benzene: A Path Integral Molecular Dynamics Study

Udagawa, T; Tanaka, H; Hirano, T; Kuwahata, K; Tachikawa, M; Baba, M; Nagashima, U

JOURNAL OF PHYSICAL CHEMISTRY A 2023年01月22日

ISSN: 1089-5639

DOI
Asymmetric Syn-Selective Vinylogous Addition of Butenolides to Chromones via Al-Li-BINOL Catalysis

Samanta, S; Cui, J; Noda, H; Watanabe, T; Shibasaki, M

JOURNAL OF ORGANIC CHEMISTRY 88 ( 2 ) 1177 - 1184 2023年01月20日

ISSN: 0022-3263

DOI
Bulky magnesium(ii) and sodium(i) bisphenoxide catalysts for chemoselective transesterification of methyl (meth)acrylates

Zhao, X; Ratanasak, M; Hasegawa, J; Kon, K; Ishihara, K

CHEMICAL SCIENCE 14 ( 3 ) 566 - 572 2023年01月18日

ISSN: 2041-6520

DOI
Photocatalytic Deuterium Atom Transfer Deuteration of Electron-Deficient Alkenes with High Functional Group Tolerance

Suzuki, A; Kamei, Y; Yamashita, M; Seino, Y; Yamaguchi, Y; Yoshino, T; Kojima, M; Matsunaga, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 62 ( 3 ) 2023年01月16日

ISSN: 1433-7851

DOI
Carbon K-edge x-ray absorption spectra of liquid alcohols from quantum chemical calculations of liquid structures obtained by molecular dynamics simulations

Nagasaka, M

JOURNAL OF CHEMICAL PHYSICS 158 ( 2 ) 2023年01月14日

ISSN: 0021-9606

DOI
Iridium-Catalyzed Branch-Selective Hydroalkylation of Simple Alkenes with Malonic Amides and Malonic Esters

Sawano, T; Ono, M; Iwasa, A; Hayase, M; Funatsuki, J; Sugiyama, A; Ishikawa, E; Yoshikawa, T; Sakat … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 2023年01月13日

ISSN: 0022-3263

DOI
,r-Extended Rubrenes via Dearomative Annulative ,r-Extension Reaction

Matsuoka, W; Kawahara, KP; Ito, H; Sarlah, D; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 145 ( 1 ) 658 - 666 2023年01月11日

ISSN: 0002-7863

DOI
Computed ammonia affinity for evaluating Lewis acidity of organoboronates and organoboronamides

Tanaka, H; Nakamoto, M; Yoshida, H

RSC ADVANCES 13 ( 4 ) 2451 - 2457 2023年01月11日

DOI
Epitaxial Junction of Inversion Symmetry Breaking AlN and Centrosymmetric NbN: A Polarity Control of Wide-Bandgap AlN

Kobayashi, A; Kihira, S; Akiyama, T; Kawamura, T; Maeda, T; Ueno, K; Fujioka, H

ACS APPLIED ELECTRONIC MATERIALS 240 - 246 2023年01月09日

DOI
Solvent effects in four-component relativistic electronic structure theory based on the reference interaction-site model

Kanemaru, K; Watanabe, Y; Yoshida, N; Nakano, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 44 ( 1 ) 5 - 14 2023年01月05日

ISSN: 0192-8651

DOI
Cation-responsive cavity expansion of valinomycin revealed by cryogenic ion trap infrared spectroscopy

Hirata, K; Sato, E; Lisy, JM; Ishiuchi, SI; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 ( 2 ) 1075 - 1080 2023年01月04日

ISSN: 1463-9076

DOI
Redox Reaction in Ti-Mn Redox Flow Battery Studied by X-ray Absorption Spectroscopy

Asakura, D; Hosono, E; Kitamura, M; Horiba, K; Magome, E; Setoyama, H; Kobayashi, E; Yuzawa, H; Ohi … 全著者表示

CHEMISTRY-AN ASIAN JOURNAL 18 ( 1 ) 2023年01月03日

ISSN: 1861-4728

DOI
A metal alkynyl molecular wire with PN ligands: Synthesis, isomerization, physical properties and single-molecule conductance

Tanaka, Y; Okamoto, A; Fujii, S; Nishino, T; Akita, M

INORGANICA CHIMICA ACTA 544 2023年01月01日

ISSN: 0020-1693

DOI
Role of charged oxygen vacancies and substrate lattice constraint on structural stability of Ga2O3 polymorphs

Akiyama, T; Kawamura, T; Ito, T

APPLIED PHYSICS EXPRESS 16 ( 1 ) 2023年01月01日

ISSN: 1882-0778

DOI
Intramolecular electron transfer from biopterin to FeII-O2 complex in nitric oxide synthases occurs at very different rates between bacterial and mammalian enzymes: Direct observation of a catalytically active intermediate

Kobayashi, K; Ito, YT; Kasu, Y; Horitani, M; Kozawa, T

JOURNAL OF INORGANIC BIOCHEMISTRY 238 2023年01月

ISSN: 0162-0134

DOI
Ion-pairing assemblies of self-associating pyrrole-based anion-responsive π-electronic molecules

Haketa, Y; Nishiyama, K; Maeda, H

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES 27 ( 1 ) 73 - 81 2023年01月

ISSN: 1088-4246

DOI
On-surface synthesis of disilabenzene-bridged covalent organic frameworks

Sun, KW; Silveira, OJ; Ma, YJ; Hasegawa, Y; Matsumoto, M; Kera, S; Krejcí, O; Foster, AS; Kawai, S

NATURE CHEMISTRY 15 ( 1 ) 136 - + 2023年01月

ISSN: 1755-4330

DOI
Prediction of Protein Function from Tertiary Structure of the Active Site in Heme Proteins by Convolutional Neural Network

Kondo, HX; Iizuka, H; Masumoto, G; Kabaya, Y; Kanematsu, Y; Takano, Y

BIOMOLECULES 13 ( 1 ) 2023年01月

DOI
Quick and Spontaneous Transformation between [3Fe-4S] and [4Fe-4S] Iron-Sulfur Clusters in the tRNA-Thiolation Enzyme TtuA

Ishizaka, M; Chen, MH; Narai, S; Tanaka, Y; Ose, T; Horitani, M; Yao, M

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 24 ( 1 ) 2023年01月

ISSN: 1661-6596

DOI
Reaction of stoichiometric hydroxyapatite with different crystallinity in Mg2+aqueous solution

Murata, H; Nakamura, T; Kawanabe, R; Tokudome, Y; Nakahira, A

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN 131 ( 1 ) 8 - 11 2023年01月

ISSN: 1882-0743

DOI
Stacked antiaromaticity in the π-congested space between the aromatic rings in the anthracene dime

Nishiuchi, T; Makihara, Y; Kishi, R; Sato, H; Kubo, T

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 36 ( 1 ) 2023年01月

ISSN: 0894-3230

DOI
Synthesis of Fully Substituted Sumanenes at the Aromatic Periphery through Hexabromomethylation

Nakazawa, H; Uetake, Y; Yakiyama, Y; Sakurai, H

ASIAN JOURNAL OF ORGANIC CHEMISTRY 12 ( 1 ) 2023年01月

ISSN: 2193-5807

DOI
The Fab portion of immunoglobulin G has sites in the CL domain that interact with Fc gamma receptor IIIa

Yamaguchi, Y; Wakaizumi, N; Irisa, M; Maruno, T; Shimada, M; Shintani, K; Nishiumi, H; Yogo, R; Yan … 全著者表示

MABS 14 ( 1 ) 2022年12月31日

ISSN: 1942-0862

DOI
Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity

Lu, HY; Komukai, Y; Usami, K; Guo, Y; Qiao, XY; Nukaga, M; Hoshino, T

JOURNAL OF CHEMICAL INFORMATION AND MODELING 62 ( 24 ) 2022年12月26日

ISSN: 1549-9596

DOI
Total Internal Reflection Raman Spectra of Alamethicin Interacting with Supported Lipid Bilayers at a Silica/Water Interface

Kondoh, M; Sano, A; Kawamura, I; Ishibashi, TA

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 50 ) 10712 - 10720 2022年12月22日

ISSN: 1520-6106

DOI
Molecular Dynamics Study on the Structure-Property Relationship of Self-Assembled Gear-Shaped Amphiphile Molecules with/without Methyl Groups

Murata, M; Koide, T; Kobayashi, O; Hiraoka, S; Shimazaki, T; Tachikawa, M

JOURNAL OF PHYSICAL CHEMISTRY B 2022年12月21日

ISSN: 1520-6106

DOI
Study of phase equilibria and thermodynamic properties of liquid mixtures using the integral equation theory: Application to water and alcohol mixtures

Yamaguchi, T; Chong, SH; Yoshida, N

JOURNAL OF CHEMICAL PHYSICS 157 ( 23 ) 2022年12月21日

ISSN: 0021-9606

DOI
Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO2)n (n=1-5)

Furushima, M; Takagi, M; Yoshida, D; Kita, Y; Shimazaki, T; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25 ( 1 ) 625 - 632 2022年12月21日

ISSN: 1463-9076

DOI
Enantioselective Allenylation of Ketimines Derived from Isatins Using Chiral Bis(imidazoline)-Palladium Catalysts

Oyamada, Y; Yamasaki, S; Tsuzuki, M; Kitagawa, T; Kondo, M; Sasamori, T; Nakamura, S

ADVANCED SYNTHESIS & CATALYSIS 364 ( 24 ) 4255 - 4259 2022年12月20日

ISSN: 1615-4150

DOI
Enantioselective Synthesis of Benzothiazolines from Fluoroalkyl Ketones Using Chiral Imidazoline-Phosphoric Acid Catalysts

Iizuka, Y; Wada, T; Ogura, K; Takehara, T; Suzuki, T; Nakamura, S

ADVANCED SYNTHESIS & CATALYSIS 364 ( 24 ) 4271 - 4274 2022年12月20日

ISSN: 1615-4150

DOI
Sumanene-functionalised bis(terpyridine)-ruthenium(ii) complexes showing photoinduced structural change and cation sensing

Han, JY; Yakiyama, Y; Takeda, Y; Sakurai, H

INORGANIC CHEMISTRY FRONTIERS 10 ( 1 ) 211 - 217 2022年12月20日

ISSN: 2052-1553

DOI
Arylamines as More Strongly Reducing Organic Photoredox Catalysts than fac-[Ir(ppy)3]

Noto, N; Saito, S

ACS CATALYSIS 12 ( 24 ) 15400 - 15415 2022年12月16日

ISSN: 2155-5435

DOI
Electronic absorption spectral analysis of chlorin-based dyad sensitizers by TD-DFT calculations

Nakamura, T; Sasaki, SI; Wang, XF; Kitao, O

JOURNAL OF PHYSICS D-APPLIED PHYSICS 55 ( 50 ) 2022年12月15日

ISSN: 0022-3727

DOI
Sequential quadruple Auger decay pathways from the Xe 4s core-hole state

Hikosaka, Y

PHYSICAL REVIEW A 106 ( 6 ) 2022年12月15日

ISSN: 2469-9926

DOI
Surface modification of MCr2O4 (M = Mg and Zn) by Cu-Doping: Theoretical prediction and experimental observation of enhanced catalysis for CO oxidation

Zhao, P; Ueda, K; Sakai, R; Ehara, M; Satsuma, A; Sakaki, S

APPLIED SURFACE SCIENCE 605 2022年12月15日

ISSN: 0169-4332

DOI
Al-Sc Bonded Complexes: Synthesis, Structure, and Reaction with Benzene in the Presence of Alkyl Halide

Feng, GF; Chan, KL; Lin, ZY; Yamashita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 49 ) 22662 - 22668 2022年12月14日

ISSN: 0002-7863

DOI
Chirality-induced intrinsic charge rectification in a tellurium-based field-effect transistor

Hirobe, D; Nabei, Y; Yamamoto, HM

PHYSICAL REVIEW B 106 ( 22 ) 2022年12月14日

ISSN: 2469-9950

DOI
High Seebeck Coefficient Achieved by Multinuclear Organometallic Molecular Junctions

Park, S; Jang, J; Tanaka, Y; Yoon, HJ

NANO LETTERS 22 ( 23 ) 9693 - 9699 2022年12月14日

ISSN: 1530-6984

DOI
Coordination-Induced Trigger for Activity: N-Heterocyclic Carbene- Decorated Ceria Catalysts Incorporating Cr and Rh with Activity Induction by Surface Adsorption Site Control

Ikemoto, S; Koitaya, T; Tsuji, Y; Das, M; Yoshizawa, K; Glorius, F; Muratsugu, S; Tada, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2022年12月13日

ISSN: 0002-7863

DOI
Gold-Catalyzed Intermolecular Alkyne Insertion into the N-S Bond in Sulfenamides

Asoh, T; Tashiro, H; Terada, M; Nakamura, I

ORGANIC LETTERS 24 ( 50 ) 2022年12月13日

ISSN: 1523-7060

DOI
Multi-state Energy Landscape for Photoreaction of Stilbene and Dimethyl-stilbene

Tsutsumi, T; Ono, Y; Taketsugu, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 18 ( 12 ) 7483 - 7495 2022年12月13日

ISSN: 1549-9618

DOI
20π Antiaromatic Isophlorins without Metallation or Core Modification

Sugimura, H; Nakajima, K; Yamashita, K; Ogawa, T

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2022 ( 46 ) 2022年12月12日

ISSN: 1434-193X

DOI
Substrate-Assisted Reductive Elimination Determining the Catalytic Cycle: A Theoretical Study on the Ni-Catalyzed 2,3-Disubstituted Benzofuran Synthesis via C-O Bond Activation

Miyazaki, R; Iida, K; Ohno, S; Matsuzaki, T; Suzuki, T; Arisawa, M; Hasegawa, JY

ORGANOMETALLICS 41 ( 23 ) 3581 - 3588 2022年12月12日

ISSN: 0276-7333

DOI
CH-π Multi-Interaction-Driven Recognition and Isolation of Planar Compounds in a Spheroidal Polyaromatic Cavity

Kishida, N; Tanaka, Y; Yoshizawa, M

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 69 ) 2022年12月09日

ISSN: 0947-6539

DOI
Density Functional Theory Study of Deoxydehydration Reaction by TiO2-Supported Monomeric and Dimeric Molybdenum Oxide Catalysts

Asada, D; Ikeda, T; Muraoka, K; Nakagawa, Y; Tomishige, K; Nakayama, A

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 48 ) 20375 - 20387 2022年12月08日

ISSN: 1932-7447

DOI
Na+ Selective Binding by Beauvericin and Its Mechanism Studied by Mass-Coupled Cold Ion Trap Infrared Spectroscopy

Vo, KX; Hirata, K; Lisy, JM; Ishiuchi, SI; Fujii, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 13 ( 48 ) 11330 - 11334 2022年12月08日

ISSN: 1948-7185

DOI
Direct measurement of the evolution of magnetism and superconductivity toward the quantum critical point

Higemoto, W; Yokoyama, M; Ito, TU; Suzuki, T; Raymond, S; Yanase, Y

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 119 ( 49 ) 2022年12月06日

ISSN: 0027-8424

DOI
Non-seed chemical bath deposition of ZnO films in a rotating continuous flow reactor with various carboxylic acids and their application to transparent conductive films

Wagata, H; Shioiri, N; Tanaka, Y; Yokogawa, R; Ogura, A

CRYSTENGCOMM 24 ( 47 ) 8294 - 8302 2022年12月05日

DOI
Theoretical study on the structures, electronic properties, and aromaticity of thia[4]circulenes

Hashimoto, S; Kishi, R; Tahara, K

NEW JOURNAL OF CHEMISTRY 46 ( 47 ) 22703 - 22714 2022年12月05日

ISSN: 1144-0546

DOI
Electrochemical synthesis of heterodehydro[7]helicenes

Khalid, MI; Salem, MSH; Sako, M; Kondo, M; Sasai, H; Takizawa, S

COMMUNICATIONS CHEMISTRY 5 ( 1 ) 2022年12月03日

ISSN: 2399-3669

DOI
Observation and Stereochemistry of Betaine Intermediates in the Reaction of Phosphonium Ylide Containing a Phosphaboratatriptycene Skeleton with Benzaldehyde

Uchiyama, Y; Yamagishi, S; Yasukawa, T

JOURNAL OF ORGANIC CHEMISTRY 87 ( 23 ) 15899 - 15913 2022年12月02日

ISSN: 0022-3263

DOI
Enhancement of tunneling currents by isoelectronic nitrogen-atom doping at semiconductor pn junctions; comparison of indirect and direct band-gap systems

Cho, SH; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( 12 ) 2022年12月01日

ISSN: 0021-4922

DOI
Sustainable organic synthesis promoted on titanium dioxide using coordinated water and renewable energies/resources

Yamauchi, M; Saito, H; Sugimoto, T; Mori, S; Saito, S

COORDINATION CHEMISTRY REVIEWS 472 2022年12月01日

ISSN: 0010-8545

DOI
Tunability of the thermal diffusivity of cellulose nanofibril films by addition of multivalent metal ions

Uetani, K; Kasuya, K; Yoshikawa, S; Uto, T

CARBOHYDRATE POLYMERS 297 2022年12月01日

ISSN: 0144-8617

DOI
In situ XAFS study on chemical states of Co and Ir nanoparticles under conventional growth condition of single-walled carbon nanotube via alcohol catalytic chemical vapor deposition

Karasawa, S; Sharma, KP; Saida, T; Naritsuka, S; Haruyama, Y; Asaka, T; Maruyama, T

CHEMICAL PHYSICS LETTERS 808 2022年12月

ISSN: 0009-2614

DOI
Alkyl chain length-dependent protein nonadsorption and adsorption properties of crystalline alkyl ?-celluloside assemblies

Serizawa, T; Yamaguchi, S; Amitani, M; Ishii, S; Tsuyuki, H; Tanaka, Y; Sawada, T; Kawamura, I; Wat … 全著者表示

COLLOIDS AND SURFACES B-BIOINTERFACES 220 2022年12月

ISSN: 0927-7765

DOI
Chiroptical Performances in Self-Assembled Hierarchical Nanosegregated Chiral Intermediate Phases Composed of Two Different Achiral Bent-Core Molecules

Lee, JJ; Kim, S; Nishikawa, H; Takanishi, Y; Iwayama, H; Kim, C; Choi, SW; Araoka, F

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 23 ( 23 ) 2022年12月

ISSN: 1661-6596

DOI
Dependence of surface residual stress on the coefficient of thermal expansion for materials subjected to laser peening without coating

Sano, Y; Akita, K

OPTICS AND LASER TECHNOLOGY 156 2022年12月

ISSN: 0030-3992

DOI
Effects of Active-Center Reduction of Plant-Type Ferredoxin on Its Structure and Dynamics: Computational Analysis Using Molecular Dynamics Simulations

Nakayoshi, T; Ohnishi, Y; Tanaka, H; Kurisu, G; Kondo, HX; Takano, Y

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 23 ( 24 ) 2022年12月

ISSN: 1661-6596

DOI
GIAO NMR Calculation-Driven Stereochemical Assignment of Marine Macrolide Natural Products: Assessment of the Performance of DP4 and DP4+Analyses and Assignment of the Relative Configuration of Leptolyngbyalide A-C/Oscillariolide Macrolactone

Murata, K; Mori, H; Fuwa, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 12 ) 1775 - 1785 2022年12月

ISSN: 0009-2673

DOI
On the Definition of Chirality and Enantioselective Fields

Kishine, J; Kusunose, H; Yamamoto, HM

ISRAEL JOURNAL OF CHEMISTRY 62 ( 11-12 ) 2022年12月

ISSN: 0021-2148

DOI
Preparation of dual-cross network polymers by the knitting method and evaluation of their mechanical properties

Kawai, Y; Park, J; Ishii, Y; Urakawa, O; Murayama, S; Ikura, R; Osaki, M; Ikemoto, Y; Yamaguchi, H; … 全著者表示

NPG ASIA MATERIALS 14 ( 1 ) 2022年12月

ISSN: 1884-4049

DOI
Size-dependent radiative recombination characteristics of isolated CuInS2 nanocrystals

Yokoi, R; Hamanaka, Y; Kuzuya, T

JOURNAL OF LUMINESCENCE 252 2022年12月

ISSN: 0022-2313

DOI
Synthesis, Structures, and Properties of Tropone-Fused Coumarin Dyes

Amishiro, S; Ueda, M; Mazaki, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 12 ) 1723 - 1729 2022年12月

ISSN: 0009-2673

DOI
Utilization of diamagnetic Zn(II) ion to boost the anisotropic nature of Ln(III) ion in heterodinuclear Zn(II)-Ln(III) single-molecule magnets

Roy, S; Shukla, P; Kumar, R; Sahoo, SC; Pal, TK; Rajput, A; Klak, J; Hada, M; Vignesh, KR; Das, S

APPLIED ORGANOMETALLIC CHEMISTRY 36 ( 12 ) 2022年12月

ISSN: 0268-2605

DOI
Iron-Catalyzed C-H Activation for Heterocoupling and Copolymerization of Thiophenes with Enamines

Doba, T; Shang, R; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 47 ) 21692 - 21701 2022年11月30日

ISSN: 0002-7863

DOI
it-Stacked Ion Pairs: Tightly Associated Charged Porphyrins in Ordered Arrangement Enabling Radical-Pair Formation

Tanaka, H; Kobayashi, Y; Furukawa, K; Okayasu, Y; Akine, S; Yasuda, N; Maeda, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 47 ) 21710 - 21718 2022年11月30日

ISSN: 0002-7863

DOI
Reference interaction site model self-consistent field with constrained spatial electron density approach for nuclear magnetic shielding in solution

Imamura, K; Yokogawa, D; Higashi, M; Sato, H

JOURNAL OF CHEMICAL PHYSICS 157 ( 20 ) 2022年11月28日

ISSN: 0021-9606

DOI
Statistical Analysis of Catalytic Performance in Ethylene/Methyl Acrylate Copolymerization Using Palladium/Phosphine-Sulfonate Catalysts

Akita, S; Guo, JY; Seidel, FW; Sigman, MS; Nozaki, K

ORGANOMETALLICS 41 ( 22 ) 3185 - 3196 2022年11月28日

ISSN: 0276-7333

DOI
Synthesis, physical properties, and OFET characteristics of a propeller-shaped molecule with a dithiarubicene blade

Tsukamoto, K; Takagi, K; Jinnai, S; Ie, Y; Hara, M; Fukushima, T

MOLECULAR SYSTEMS DESIGN & ENGINEERING 7 ( 12 ) 1639 - 1649 2022年11月28日

ISSN: 2058-9689

DOI
Structure of MotA, a flagellar stator protein, from hyperthermophile

Nishikino, T; Takekawa, N; Tran, DP; Kishikawa, J; Hirose, M; Onoe, S; Kojima, S; Homma, M; Kitao, … 全著者表示

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 631 78 - 85 2022年11月26日

ISSN: 0006-291X

DOI
Electrochemical Synthesis of Dibenzothiophenes via Intramolecular C-S Cyclization with a Halogen Mediator

Mitsudo, K; Tachibana, Y; Sato, E; Suga, S

ORGANIC LETTERS 24 ( 46 ) 8547 - 8552 2022年11月25日

ISSN: 1523-7060

DOI
The simplest structure of a stable radical showing high fluorescence efficiency in solution: benzene donors with triarylmethyl radicals

Hattori, Y; Kitajima, R; Ota, W; Matsuoka, R; Kusamoto, T; Sato, T; Uchida, K

CHEMICAL SCIENCE 13 ( 45 ) 13418 - 13425 2022年11月23日

ISSN: 2041-6520

DOI
A Missing Link in Multisubstituted Pyrrolidines: Remote Stereocontrol Forged by Rhodium-Alkyl Nitrene

Tang, XX; Tak, RK; Noda, H; Shibasaki, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 47 ) 2022年11月21日

ISSN: 1433-7851

DOI
Partially Oxidized Purely Organic Zwitterionic Neutral Radical Conductor: Multi-step Phase Transitions and Crossover Caused by Intra- and Intermolecular Electronic Interactions

Suemune, T; Sonoda, K; Suzuki, S; Sato, H; Kusamoto, T; Ueda, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2022年11月21日

ISSN: 0002-7863

DOI
Friedel-Crafts Acylation of Aminocarboxylic Acids in Strong Bronsted Acid Promoted by Lewis Base P4O10

Wu, H; Sumita, A; Otani, Y; Ohwada, T

JOURNAL OF ORGANIC CHEMISTRY 87 ( 22 ) 15224 - 15249 2022年11月18日

ISSN: 0022-3263

DOI
Hydroxide Ion Mechanism for Long-Range Proton Pumping in the Third Proton Transfer of Bacteriorhodopsin

Ono, J; Okada, C; Nakai, H

CHEMPHYSCHEM 23 ( 22 ) 2022年11月18日

ISSN: 1439-4235

DOI
Explicit analysis of functional group orientation in amorphous organic semiconductor films by using deuterated materials

Sukegawa, Y; Yagi, Y; Kitahara, H; Mochizuki, S; Yokoyama, D

JOURNAL OF MATERIALS CHEMISTRY C 10 ( 44 ) 16761 - 16772 2022年11月17日

ISSN: 2050-7526

DOI
Key Residue for Aggregation of Amyloid-β Peptides

Itoh, SG; Yagi-Utsumi, M; Kato, K; Okumura, H

ACS CHEMICAL NEUROSCIENCE 13 ( 22 ) 3139 - 3151 2022年11月16日

ISSN: 1948-7193

DOI
Usefulness of higher-order system-size correction for macromolecule diffusion coefficients: A molecular dynamics study

Iwashita, T; Nagao, M; Yoshimori, A; Terazima, M; Akiyama, R

CHEMICAL PHYSICS LETTERS 807 2022年11月16日

ISSN: 0009-2614

DOI
Effects of Solvent Density Distribution and Dipole-Dipole Interaction on a Polarization Fluctuation near an Electrically Neutral Surface

Noji, J; Yoshimori, A; Ohnuki, J; Takano, M

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 91 ( 11 ) 2022年11月15日

ISSN: 0031-9015

DOI
Geometric, electronic and spin structures of the CaMn4O5 catalyst for water oxidation in oxygen-evolving photosystem II. Interplay between experiments and theoretical computations

Yamaguchi, K; Shoji, M; Isobe, H; Kawakami, T; Miyagawa, K; Suga, M; Akita, F; Shen, JR

COORDINATION CHEMISTRY REVIEWS 471 2022年11月15日

ISSN: 0010-8545

DOI
Recent studies on the magnetic properties of paramagnetic metals linked by diamagnetic second metals

Uemura, K; Takamori, A

COORDINATION CHEMISTRY REVIEWS 471 2022年11月15日

ISSN: 0010-8545

DOI
Site selective analysis of water in hydrogen bond network of aqueous dimethyl sulfoxide solutions by oxygen K-edge X-ray absorption spectroscopy

Nagasaka, M

JOURNAL OF MOLECULAR LIQUIDS 366 2022年11月15日

ISSN: 0167-7322

DOI
Electronic excitation spectra of jet-cooled phenyl isocyanate, m-tolyl isocyanate, and p-phenylene diisocyanate: Assignment of the cis and trans rotational isomers

Chiba, K; Naganuma, Y; Ishibashi, D; Okuyama, K

JOURNAL OF CHEMICAL PHYSICS 157 ( 18 ) 2022年11月14日

ISSN: 0021-9606

DOI
Understanding electronic structures, chemical bonding, and fluxional behavior of Lu2@C2n (2n=76-88) by a theoretical study

Shui, Y; Pei, GR; Zhao, P; Xiong, M; Li, SD; Ehara, M; Yang, T

JOURNAL OF CHEMICAL PHYSICS 157 ( 18 ) 2022年11月14日

ISSN: 0021-9606

DOI
Electronic fluctuation difference between trimethylamine N-oxide and tert-butyl alcohol in water

Kuroki, N; Uchino, Y; Funakura, T; Mori, H

SCIENTIFIC REPORTS 12 ( 1 ) 2022年11月12日

ISSN: 2045-2322

DOI
Fermiology and Origin of Tc Enhancement in a Kagome Superconductor Cs(V1-xNbx)3Sb5

Kato, T; Li, YK; Nakayama, K; Wang, ZW; Souma, S; Matsui, F; Kitamura, M; Horiba, K; Kumigashira, H … 全著者表示

PHYSICAL REVIEW LETTERS 129 ( 20 ) 2022年11月10日

ISSN: 0031-9007

DOI
A comprehensive theoretical study of positron binding and annihilation properties of hydrogen bonded binary molecular clusters

Yoshida, D; Kita, Y; Shimazaki, T; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 43 ) 26898 - 26907 2022年11月09日

ISSN: 1463-9076

DOI
KTaO3 Wafers Doped with Sr or La Cations for Modeling Water- Splitting Photocatalysts: 3D Atom Imaging around Doping Cations

Sasahara, A; Kimura, K; Sudrajat, H; Happo, N; Hayashi, K; Onishi, H

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 46 ) 19745 - 19755 2022年11月09日

ISSN: 1932-7447

DOI
Regiospecific α-methylene functionalisation of tertiary amines with alkynes via Au-catalysed concerted one-proton/two-electron transfer to O2

Yatabe, T; Yamaguchi, K

NATURE COMMUNICATIONS 13 ( 1 ) 2022年11月09日

DOI
Synthesis and rotational dynamics of diazamacrocycles having bridged 1,4-naphthylene as framed molecular rotors

Kurimoto, T; Inagaki, Y; Ohara, K; Yamaguchi, K; Setaka, W

ORGANIC & BIOMOLECULAR CHEMISTRY 20 ( 43 ) 8465 - 8470 2022年11月09日

ISSN: 1477-0520

DOI
RadonPy: automated physical property calculation using all-atom classical molecular dynamics simulations for polymer informatics

Hayashi, Y; Shiomi, J; Morikawa, J; Yoshida, R

NPJ COMPUTATIONAL MATERIALS 8 ( 1 ) 2022年11月08日

DOI
Stabilization of a high H--conducting phase via K doping of Ba-Li oxyhydride

Okamoto, K; Takeiri, F; Imai, Y; Yonemura, M; Saito, T; Ikeda, K; Otomo, T; Kamiyama, T; Kobayashi, … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY A 10 ( 43 ) 23023 - 23027 2022年11月08日

ISSN: 2050-7488

DOI
Polarization-controlled tunable directional spin-driven photocurrents in a magnetic metamaterial with threefold rotational symmetry

Matsubara, M; Kobayashi, T; Watanabe, H; Yanase, Y; Iwata, S; Kato, T

NATURE COMMUNICATIONS 13 ( 1 ) 2022年11月07日

DOI
ACE2 N-glycosylation modulates interactions with SARS-CoV-2 spike protein in a site-specific manner

Isobe, A; Arai, Y; Kuroda, D; Okumura, N; Ono, T; Ushiba, S; Nakakita, S; Daidoji, T; Suzuki, Y; Na … 全著者表示

COMMUNICATIONS BIOLOGY 5 ( 1 ) 2022年11月05日

DOI
Highly enantioselective synthesis of norcaradiene derivatives from naphthyl diazoacetamides using a Ru(ii)-Pheox complex

Otog, N; Gantogos, B; Fujisawa, I; Iwasa, S

CHEMICAL COMMUNICATIONS 58 ( 88 ) 12325 - 12328 2022年11月03日

ISSN: 1359-7345

DOI
A simplified analog of debromoaplysiatoxin lacking the B-ring of spiroketal moiety retains protein kinase C-binding and antiproliferative activities

Sekido, T; Yamamoto, K; Yanagita, RC; Kawamani, Y; Hanaki, Y; Irie, K

BIOORGANIC & MEDICINAL CHEMISTRY 73 2022年11月01日

ISSN: 0968-0896

DOI
Development of gamma-ray-induced positron age-momentum correlation measurement

Taira, Y; Yamamoto, R; Sugita, K; Okano, Y; Hirade, T; Namizaki, S; Ogawa, T; Adachi, Y

REVIEW OF SCIENTIFIC INSTRUMENTS 93 ( 11 ) 2022年11月01日

ISSN: 0034-6748

DOI
Dissociative Adsorption of Water on CaMn4O5 Cationic Clusters

Zhou, TY; Abe, M; Zhang, YF; Kudoh, S; Mafune, F

JOURNAL OF PHYSICAL CHEMISTRY A 2022年11月01日

ISSN: 1089-5639

DOI
Magnetic-field-induced polarity oscillation of superconducting diode effect

Kawarazaki, R; Narita, H; Miyasaka, Y; Ikeda, Y; Hisatomi, R; Daido, A; Shiota, Y; Moriyama, T; Yan … 全著者表示

APPLIED PHYSICS EXPRESS 15 ( 11 ) 2022年11月01日

ISSN: 1882-0778

DOI
Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space

Hori, Y; Nakamura, H; Sakawa, T; Watanabe, N; Kayanuma, M; Shoji, M; Umemura, M; Shigeta, Y

ASTROBIOLOGY 22 ( 11 ) 1330 - 1336 2022年11月01日

ISSN: 1531-1074

DOI
Direct local sampling method for solving the Schrodinger equation with the free complement - local Schrodinger equation theory

Nakatsuji, H; Nakashima, H

CHEMICAL PHYSICS LETTERS 806 2022年11月

ISSN: 0009-2614

DOI
Elucidation of a multiple S3 intermediates model for water oxidation in the oxygen evolving complex of photosystem II. Calcium-assisted concerted O-O bond formation

Yamaguchi, K; Miyagawa, K; Shoji, M; Isobe, H; Kawakami, T

CHEMICAL PHYSICS LETTERS 806 2022年11月

ISSN: 0009-2614

DOI
Evaluation of multi-specificity of antibody G2 using its single-chain Fv and its covalently linked antigen peptides

Hayashi, T; Kamatari, YO; Oda, M

BIOPHYSICAL CHEMISTRY 290 2022年11月

ISSN: 0301-4622

DOI
Janus-Type AIE Fluorophores: Synthesis and Properties of π-Extended Coumarin-Bearing Triskelions

Ueda, M; Kokubun, M; Yanagi, N; Yamamoto, N; Mazaki, Y

MOLECULES 27 ( 21 ) 2022年11月

DOI
Metastable Structure of Photoexcited WO3 Determined by the Pump-probe Extended X-ray Absorption Fine Structure Spectroscopy and Constrained Thorough Search Analysis

Kido, D; Uemura, Y; Wakisaka, Y; Koide, A; Uehara, H; Niwa, Y; Nozawa, S; Ichiyanagi, K; Fukaya, R; … 全著者表示

CHEMISTRY LETTERS 51 ( 11 ) 1083 - 1086 2022年11月

ISSN: 0366-7022

DOI
Molecular Dynamics Simulation of the Antigen-Antibody Complex Formation Process between Hen Egg-White Lysozyme and HyHEL-10

Takamatsu, Y; Hamakubo, T; Yamashita, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 11 ) 1611 - 1619 2022年11月

ISSN: 0009-2673

DOI
Near-Infrared Light-Emitting Diodes from Organic Radicals with Charge Control

Cho, HH; Kimura, S; Greenham, NC; Tani, Y; Matsuoka, R; Nishihara, H; Friend, RH; Kusamoto, T; Evan … 全著者表示

ADVANCED OPTICAL MATERIALS 10 ( 21 ) 2022年11月

ISSN: 2195-1071

DOI
Stereoselective Transesterification of P-Chirogenic Hydroxybinaphthyl Phosphinates

Kawajiri, A; Udagawa, T; Minoura, M; Murai, T

CHEMISTRYOPEN 11 ( 11 ) 2022年11月

ISSN: 2191-1363

DOI
Synthesis of 3-(Phenylcarbonyl)-1H-indazole Derivatives through Intramolecular Cyclization under Mild Conditions

Kuroyanagi, S; Kikuchi, S; Sumikoshi, S; Uwano, M; Chiba, T; Yamakado, R; Okada, S

ASIAN JOURNAL OF ORGANIC CHEMISTRY 11 ( 11 ) 2022年11月

ISSN: 2193-5807

DOI
Synthesis of Sumanene-fused Acenes

Nakazawa, H; Ohya, A; Morimoto, Y; Uetake, Y; Ikuma, N; Okada, K; Nakano, M; Yakiyama, Y; Sakurai, H

ASIAN JOURNAL OF ORGANIC CHEMISTRY 11 ( 11 ) 2022年11月

ISSN: 2193-5807

DOI
Synthesis, Properties, and Intermolecular Interactions in the Solid States of π-Congested X-Shaped 1,2,4,5-Tetra(9-anthryl)benzenes

Nishiuchi, T; Takeuchi, S; Makihara, Y; Kimura, R; Saito, SH; Sato, H; Kubo, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 11 ) 1591 - 1599 2022年11月

ISSN: 0009-2673

DOI
Theoretical study of carbon isotope effects in the nonclassical carbonyl cation CO/[M(CO)n]+ (M = Cu, Ag, Au; n=1-4)

Ono, Y; Tsutsumi, T; Harabuchi, Y; Taketsugu, T; Fujii, Y

CHEMICAL PHYSICS LETTERS 806 2022年11月

ISSN: 0009-2614

DOI
Ultraviolet and infrared spectra of mono-, di- and tri-hydrated clusters of protonated noradrenaline - Solvation and conformational variations

Yamaguchi, K; Hirata, K; Ishiuchi, SI; Fujii, M

CHEMICAL PHYSICS LETTERS 806 2022年11月

ISSN: 0009-2614

DOI
Diazulenylmethyl Cations with a Silicon Bridge: A π-Extended Cationic Motif to Form J-Aggregates with Near-Infrared Absorption and Emission

Murai, M; Abe, M; Ogi, S; Yamaguchi, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2022年10月28日

ISSN: 0002-7863

DOI
Experimental and Theoretical Evidence for Relativistic Catalytic Activity in C-H Activation of N-Phenylbenzamide Using a Cationic Iridium Complex

Takashima, C; Kurita, H; Takano, H; Ikabata, Y; Shibata, T; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 42 ) 7627 - 7638 2022年10月27日

ISSN: 1089-5639

DOI
Spin-orbital Yu-Shiba-Rusinov states in single Kondo molecular magnet

Xia, HN; Minamitani, E; Zitko, R; Liu, ZY; Liao, X; Cai, M; Ling, ZH; Zhang, WH; Klyatskaya, S; Rub … 全著者表示

NATURE COMMUNICATIONS 13 ( 1 ) 2022年10月27日

DOI
Theoretical Study on the Vapochromic Ni(II)-Quinonoid Complex: One-Dimensional Stacking Structure-Based Color Switching

Nomiya, K; Nakatani, N; Nakayama, N; Goto, H; Nakagaki, M; Sakaki, S; Yoshida, M; Kato, M; Hada, M

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 42 ) 7687 - 7694 2022年10月27日

ISSN: 1089-5639

DOI
One-Dimensionally Conjugated Carbocyanine Dyes Isolated under Cold Gas-Phase Conditions: Electronic Spectra and Photochemistry

Muramatsu, S; Tokizane, T; Inokuchi, Y

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 44 ) 8127 - 8135 2022年10月26日

ISSN: 1089-5639

DOI
Joule Heating in Single-Molecule Point Contacts Studied by Tip-Enhanced Raman Spectroscopy

Cirera, B; Wolf, M; Kumagai, T

ACS NANO 16 ( 10 ) 16443 - 16451 2022年10月25日

ISSN: 1936-0851

DOI
Structures and mechanisms of actin ATP hydrolysis

Kanematsu, Y; Narita, A; Oda, T; Koike, R; Ota, M; Takano, Y; Moritsugu, K; Fujiwara, I; Tanaka, K; … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 119 ( 43 ) 2022年10月25日

ISSN: 0027-8424

DOI
Enantioselective Reaction of N-Unprotected Activated Ketimines with Phosphine Oxides Catalyzed by Chiral Imidazoline-Phosphoric Acids br

Ogura, K; Isozumi, I; Takehara, T; Suzuki, T; Nakamura, S

ORGANIC LETTERS 2022年10月24日

ISSN: 1523-7060

DOI
Fermiology of a topological line-nodal compound CaSb2 and its implication to superconductivity: Angle-resolved photoemission study

Chuang, CW; Souma, S; Moriya, A; Nakayama, K; Ikeda, A; Kawaguchi, M; Obata, K; Saha, SR; Takahashi … 全著者表示

PHYSICAL REVIEW MATERIALS 6 ( 10 ) 2022年10月24日

ISSN: 2475-9953

DOI
Ionic supramolecular polymerization of water-soluble porphyrins: balancing ionic attraction and steric repulsion to govern stacking

Kanzaki, C; Yoneda, H; Nomura, S; Maeda, T; Numata, M

RSC ADVANCES 12 ( 47 ) 30670 - 30681 2022年10月24日

DOI
Multiply Twisted Chiral Macrocycles Clamped by Tethered Binaphthyls Exhibiting High Circularly Polarized Luminescence Brightness

Hasegawa, M; Hasegawa, C; Nagaya, Y; Tsubaki, K; Mazaki, Y

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 59 ) 2022年10月21日

ISSN: 0947-6539

DOI
Nanoscale coherent phonon spectroscopy

Liu, SY; Hammud, A; Hamada, I; Wolf, M; Müller, M; Kumagai, T

SCIENCE ADVANCES 8 ( 42 ) 2022年10月21日

ISSN: 2375-2548

DOI
Cryo-EM structures of thermostabilized prestin provide mechanistic insights underlying outer hair cell electromotility

Futamata, H; Fukuda, M; Umeda, R; Yamashita, K; Tomita, A; Takahashi, S; Shikakura, T; Hayashi, S; … 全著者表示

NATURE COMMUNICATIONS 13 ( 1 ) 2022年10月20日

DOI
Enhancement of fluorescence and photostability of luminescent radicals by quadruple addition of phenyl groups

Mattiello, S; Hattori, Y; Kitajima, R; Matsuoka, R; Kusamoto, T; Uchida, K; Beverina, L

JOURNAL OF MATERIALS CHEMISTRY C 10 ( 40 ) 15028 - 15034 2022年10月20日

ISSN: 2050-7526

DOI
Intrinsic Nature of the Ultrafast Deexcitation Pathway of Mycosporine-like Amino Acid Porphyra-334

Hatakeyama, M; Nakamura, S

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 41 ) 7460 - 7467 2022年10月20日

ISSN: 1089-5639

DOI
Energy transfer dynamics and the mechanism of biohybrid photosynthetic antenna complexes chemically linked with artificial chromophores

Yoneda, Y; Noji, T; Mizutani, N; Kato, D; Kondo, M; Miyasaka, H; Nagasawa, Y; Dewa, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 40 ) 24714 - 24726 2022年10月19日

ISSN: 1463-9076

DOI
Atroposelective Synthesis of C-C Axially Chiral Compounds via Mono- and Dinuclear Vanadium Catalysis

Kumar, A; Sasai, H; Takizawa, S

ACCOUNTS OF CHEMICAL RESEARCH 55 ( 20 ) 2949 - 2965 2022年10月18日

ISSN: 0001-4842

DOI
Direct observation of stepping rotation of V-ATPase reveals rigid component in coupling between Vo and V1 motors

Otomo, A; Iida, T; Okuni, Y; Ueno, H; Murata, T; Iino, R

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 119 ( 42 ) 2022年10月18日

ISSN: 0027-8424

DOI
Effect of Propargylic Substituents on Enantioselectivity and Reactivity in Ruthenium-Catalyzed Propargylic Substitution Reactions: A DFT Study

Sakata, K; Uehara, Y; Kohara, S; Yoshikawa, T; Nishibayashi, Y

ACS OMEGA 7 ( 41 ) 36634 - 36642 2022年10月18日

ISSN: 2470-1343

DOI
Rhodium-Catalyzed Acrylate Synthesis from Carbon Dioxide and Ethylene by using a Guanidine-Based Pincer Ligand: Perturbing Occupied d-Orbitals by pπ-dπ Repulsion Makes a Difference

Takegasa, S; Lee, MM; Tokuhiro, K; Nakano, R; Yamashita, M

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 58 ) 2022年10月18日

ISSN: 0947-6539

DOI
X-ray photoelectron spectroscopy of Thymine and 5-Bromouracil studied by Symmetry-Adapted-Cluster Configuration-Interaction (SAC-CI) theory

Kurokawa, YI; Nakatsuji, H; Hirato, M; Yokoya, A

CHEMICAL PHYSICS LETTERS 805 2022年10月16日

ISSN: 0009-2614

DOI
Solvation properties of silver ions in ionic liquids using attenuated total reflectance ultraviolet spectroscopy

Imai, M; Tanabe, I; Ozaki, Y; Fukui, K

JOURNAL OF MOLECULAR LIQUIDS 364 2022年10月15日

ISSN: 0167-7322

DOI
Anomalous dewetting growth of Si on Ag(111)

Kawakami, N; Arafune, R; Minamitani, E; Kawahara, K; Takagi, N; Lin, CL

NANOSCALE 14 ( 39 ) 14623 - 14629 2022年10月13日

ISSN: 2040-3364

DOI
Electron-phonon interaction and structural changes in the electronically excited state of WO3 photocatalyst

Kaneko, M; Nozawa, S; Yamashita, K

FRONTIERS IN ENERGY RESEARCH 10 2022年10月12日

ISSN: 2296-598X

DOI
Influence of Glycan Agents on Protein Crystallization with Ammonium Sulfate

Guo, Y; Hoshino, T

CRYSTAL GROWTH & DESIGN 2022年10月12日

ISSN: 1528-7483

DOI
Quantum paramagnetic states in the spin-21 distorted honeycomb-lattice Heisenberg antiferromagnet: Application to Cu2(pymca)3(ClO4)

Shimokawa, T; Takano, K; Honda, Z; Okutani, A; Hagiwara, M

PHYSICAL REVIEW B 106 ( 13 ) 2022年10月12日

ISSN: 2469-9950

DOI
The effect of the structure of a helical nanofilament of the B4 phase of bent-core liquid crystals on the nano-phase separation mixed with a rod-like cholesteric liquid crystal mixture

Takanishi, Y; Araoka, F; Iwayama, H

RSC ADVANCES 12 ( 45 ) 29346 - 29349 2022年10月11日

DOI
Effect of Substituents in Functional Bipyridonate Ligands on Ruthenium-Catalyzed Dehydrogenative Oxidation of Alcohols: An Experimental and Computational Study

Shimbayashi, T; Ito, H; Shimizu, M; Sano, H; Sakaki, S; Fujita, K

CHEMCATCHEM 14 ( 19 ) 2022年10月10日

ISSN: 1867-3880

DOI
Neighboring Group Participation of Nitrogen Cation to Form an Unusual Six-Membered Ring Intermediate During Oxime Rearrangement

Fujino, T; Hyodo, T; Otani, Y; Yamaguchi, K; Ohwada, T

JOURNAL OF ORGANIC CHEMISTRY 87 ( 19 ) 12653 - 12672 2022年10月07日

ISSN: 0022-3263

DOI
Luminescence Enhancement in CuInS2 Nanoparticles through the Selective Passivation of Nonradiative Recombination Sites by Phosphine Ligands

Suzuki, K; Kuzuya, T; Hamanaka, Y

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 39 ) 16751 - 16758 2022年10月06日

ISSN: 1932-7447

DOI
Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron-induced intramolecular proton transfer reactions in 8-hydroxyquinoline

Udagawa, T; Hattori, I; Kanematsu, Y; Ishimoto, T; Tachikawa, M

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 122 ( 19 ) 2022年10月05日

ISSN: 0020-7608

DOI
Acene Size-Dependent Transition of The Radical Centers From the Metal to The Acene Parts In Monocationic Dinuclear (Diethynylacene)diyl Complexes

Tanaka, Y; Kawano, R; Akita, M

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 55 ) 2022年10月04日

ISSN: 0947-6539

DOI
Dinuclear cobalt complexes with an asymmetric biphenyl bridging ligand, [Co2(LFtBu)(bpqa)2](PF6)2 (H4LFtBu=5-fluoro-5'-tert-butyl-3,3',4,4'-tetrahydroxybiphenyl, bpqa = bis (2-pyridylmethyl)(2-quinolylmethyl)amine): Spectroscopic, electrochemical and magnetic characterization

Takahashi, N; Nishiyama, T; Mibu, T; Suenaga, Y; Okubo, T; Maekawa, M; Kuroda-Sowa, T

INORGANICA CHIMICA ACTA 541 2022年10月01日

ISSN: 0020-1693

DOI
Dissociation channels of c-C4F8 to C2F4 in reactive plasma

Hayashi, T; Ishikawa, K; Sekine, M; Hori, M; Lwayama, H

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( 10 ) 2022年10月01日

ISSN: 0021-4922

DOI
Heterogeneous nature of the carbonaceous chondrite breccia Aguas Zarcas - Cosmochemical characterization and origin of new carbonaceous chondrite lithologies

Kerraouch, I; Kebukawa, Y; Bischoff, A; Zolensky, ME; Wölfer, E; Hellmann, JL; Ito, M; King, A; Tri … 全著者表示

GEOCHIMICA ET COSMOCHIMICA ACTA 334 155 - 186 2022年10月01日

ISSN: 0016-7037

DOI
In situ XAFS study of the chemical state of a Co catalyst during single-walled carbon nanotube growth under conventional growth conditions using alcohol catalytic chemical vapor deposition

Karasawa, S; Sharma, KP; Yamamoto, D; Saida, T; Naritsuka, S; Maruyama, T

CHEMICAL PHYSICS LETTERS 804 2022年10月

ISSN: 0009-2614

DOI
Definition of the Pnictogen Bond: A Perspective

Varadwaj, A; Varadwaj, PR; Marques, HM; Yamashita, K

INORGANICS 10 ( 10 ) 2022年10月

DOI
Enhancement of magnetization in silica composite of ZnFe2O4 nanoparticles induced by femtosecond-laser irradiation

Nakashima, S; Kimura, Y; Yoshibayashi, R; Shimotsuma, Y; Miura, K

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING 128 ( 10 ) 2022年10月

ISSN: 0947-8396

DOI
Incorporation of 16O-rich anhydrous silicates in the protolith of highly hydrated asteroid Ryugu

Liu, MC; McCain, KA; Matsuda, N; Yamaguchi, A; Kimura, M; Tomioka, N; Ito, M; Uesugi, M; Imae, N; S … 全著者表示

NATURE ASTRONOMY 6 ( 10 ) 1172 - + 2022年10月

ISSN: 2397-3366

DOI
Integral equation study of effective attraction between like-charged particles mediated by cations: Comparison between IPY2 and HNC closures

Takeda, M; Maruyama, K; Akiyama, R; Miyata, T

EPL 140 ( 1 ) 2022年10月

ISSN: 0295-5075

DOI
Multifunctional Crystal Regulation Enables Efficient and Stable Sky-Blue Perovskite Light-Emitting Diodes

Shen, Y; Li, YQ; Zhang, K; Zhang, LJ; Xie, FM; Chen, L; Cai, XY; Lu, Y; Ren, H; Gao, XY; Xie, HJ; M … 全著者表示

ADVANCED FUNCTIONAL MATERIALS 32 ( 41 ) 2022年10月

ISSN: 1616-301X

DOI
Naked-Eye-Detectable Supramolecular Sensing System for Glutaric Acid and Isophthalic Acid

Muranaka, A; Ban, H; Naito, M; Miyagawa, S; Ueda, M; Yamamoto, S; Harada, M; Takaya, H; Kimura, M; … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 10 ) 1428 - 1437 2022年10月

ISSN: 0009-2673

DOI
Relation between Electronic Structure and Thermoelectric Properties of Heusler-Type Ru2VAl Compounds

Miyazaki, H; Kimura, S; Onishi, K; Hihara, T; Yoshimura, M; Ishii, H; Mikami, M; Nishino, Y

CRYSTALS 12 ( 10 ) 2022年10月

DOI
Vibrational Circular Dichroism Spectroscopy toward Intercalation Compounds of Sodium Montmorillonite: Evidences for Molecular Packing of Enantiopure Monovalent Ir(III) Complexes within Interlayer Spaces

Sato, H; Takimoto, K; Yamagishi, A; Yoshida, J; Hara, M

APPLIED CLAY SCIENCE 228 2022年10月

ISSN: 0169-1317

DOI
Characterization of resonance structures in aromatic rings of benzene and its heavier-element analogues

Sugahara, T; Hashizume, D; Tokitoh, N; Matsui, H; Kishi, R; Nakano, M; Sasamori, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 37 ) 22557 - 22561 2022年09月28日

ISSN: 1463-9076

DOI
Development of efficient computational analysis of difference infrared and Raman spectroscopies

Hirano, T; Yazawa, N; Wang, L; Morita, A

JOURNAL OF CHEMICAL PHYSICS 157 ( 12 ) 2022年09月28日

ISSN: 0021-9606

DOI
Disentangling sequential and concerted fragmentations of molecular polycations with covariant native frame analysis

McManus, JW; Walmsley, T; Nagaya, K; Harries, JR; Kumagai, Y; Iwayama, H; Ashfold, MNR; Britton, M; … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 37 ) 22699 - 22709 2022年09月28日

ISSN: 1463-9076

DOI
Inverse design of molecule-metal nanoparticle systems interacting with light for desired photophysical properties

Shiraogawa, T; Dall'Osto, G; Cammi, R; Ehara, M; Corni, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 37 ) 22768 - 22777 2022年09月28日

ISSN: 1463-9076

DOI
Ultraviolet photodissociation of Mg+-NO complex: Ion imaging of a reaction branching in the excited states

Ito, Y; Nakashima, Y; Okutsu, K; Nakano, M; Misaizu, F

JOURNAL OF CHEMICAL PHYSICS 157 ( 12 ) 2022年09月28日

ISSN: 0021-9606

DOI
Effects of the rigid and sterically bulky structure of non-fused nonfullerene acceptors on transient photon-to-current dynamics

Jinnai, S; Murayama, K; Nagai, K; Mineshita, M; Kato, K; Muraoka, A; Yamakata, A; Saeki, A; Kobori, … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY A 10 ( 37 ) 20035 - 20047 2022年09月27日

ISSN: 2050-7488

DOI
Femtosecond Thermal and Nonthermal Hot Electron Tunneling Inside a Photoexcited Tunnel Junction

Sabanés, NM; Krecinic, F; Kumagai, T; Schulz, F; Wolf, M; Müller, M

ACS NANO 16 ( 9 ) 14479 - 14489 2022年09月27日

ISSN: 1936-0851

DOI
Iron/Photosensitizer Hybrid System Enables the Synthesis of Polyaryl-Substituted Azafluoranthenes

Kato, Y; Yoshino, T; Gao, M; Hasegawa, JY; Kojima, M; Matsunaga, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2022年09月27日

ISSN: 0002-7863

DOI
Spatial distribution of triplet excitons formed from charge transfer states at the donor/acceptor interface

Izawa, S; Morimoto, M; Naka, S; Hiramoto, M

JOURNAL OF MATERIALS CHEMISTRY A 10 ( 37 ) 19935 - 19940 2022年09月27日

ISSN: 2050-7488

DOI
Iridium Complexes with a Naphthyridine-Based Si,N-Ligand: Synthesis and Catalytic Activity toward Olefin Hydrogenation

Sato, K; Komuro, T; Osawa, T; Hashimoto, H; Tobita, JH

ORGANOMETALLICS 41 ( 18 ) 2612 - 2621 2022年09月26日

ISSN: 0276-7333

DOI
Breakdown of bulk-projected isotropy in surface electronic states of topological Kondo insulator SmB6(001)

Ohtsubo, Y; Nakaya, T; Nakamura, T; Le Fèvre, P; Bertran, F; Iga, F; Kimura, SI

NATURE COMMUNICATIONS 13 ( 1 ) 2022年09月23日

DOI
Optical gradient force on chiral particles

Yamanishi, J; Ahn, HY; Yamane, H; Hashiyada, S; Ishihara, H; Nam, KT; Okamoto, H

SCIENCE ADVANCES 8 ( 38 ) 2022年09月23日

ISSN: 2375-2548

DOI
Observation of Hole States at Perylene/Au(110) and Au(111) Interfaces

Endo, O; Matsui, F; Kera, S; Chun, WJ; Nakamura, M; Amemiya, K; Ozaki, H

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 37 ) 15971 - 15979 2022年09月22日

ISSN: 1932-7447

DOI
Superatom Molecular Orbitals of Li@C60: Effects of the Li Position and the Substrate

Kuklin, AV; Suresh, R; Shimizu, K; Yamada, Y; Ågren, H

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 37 ) 15891 - 15898 2022年09月22日

ISSN: 1932-7447

DOI
Planarization of a bowl-shaped molecule by triple-decker stacking

Kawashima, H; Fukui, N; Phung, QM; Yanai, T; Shinokubo, H

CELL REPORTS PHYSICAL SCIENCE 3 ( 9 ) 2022年09月21日

DOI
Boron complexes of π-extended nitroxide ligands exhibiting three-state redox processes and near-infrared-II (NIR-II) absorption properties

Nakamura, M; Hyakutake, R; Morisako, S; Sasamori, T; Mizuhata, Y; Tokitoh, N; Nakashima, K; Fukumot … 全著者表示

DALTON TRANSACTIONS 51 ( 36 ) 13675 - 13680 2022年09月20日

ISSN: 1477-9226

DOI
NO Bond Cleavage on Gas-Phase Irn plus Clusters Investigated by Infrared Multiple Photon Dissociation Spectroscopy

Yamaguchi, M; Zhang, YF; Lushchikova, O; Bakker, JM; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY A 2022年09月20日

ISSN: 1089-5639

DOI
Anion-exchange Experiment of Zr, Hf, and Th in HNO3 and Quantum Chemical Study on the Nitrate Complexes toward Chemical Research on Element 104, Rf

Watanabe, E; Kasamatsu, Y; Yokokita, T; Hayami, S; Tonai, K; Ninomiya, H; Kondo, N; Shigekawa, Y; H … 全著者表示

SOLVENT EXTRACTION AND ION EXCHANGE 40 ( 6 ) 590 - 605 2022年09月19日

ISSN: 0736-6299

DOI
Improved Antibody-Specific Epitope Prediction Using AlphaFold and AbAdapt

Xu, ZC; Davila, A; Wilamowski, J; Teraguchi, S; Standley, DM

CHEMBIOCHEM 23 ( 18 ) 2022年09月16日

ISSN: 1439-4227

DOI
Role of the Anion Layer's Polarity in Organic Conductors β"-(BEDT-TTF)2XC2H4SO3 (X = Cl and Br)

Akutsu, H; Uruichi, M; Imajo, S; Kindo, K; Nakazawa, Y; Turner, SS

JOURNAL OF PHYSICAL CHEMISTRY C 2022年09月16日

ISSN: 1932-7447

DOI
Synthesis, properties, and material hybridization of bare aromatic polymers enabled by dendrimer support

Fujiki, SS; Amaike, K; Yagi, A; Itami, K

NATURE COMMUNICATIONS 13 ( 1 ) 2022年09月16日

DOI
Temperature effect on photoelectron spectra of AuCO2-: Relative stability between physisorbed and chemisorbed isomers

Iwamoto, M; Koyasu, K; Konuma, T; Tsuruoka, K; Muramatsu, S; Tsukuda, T

CHEMICAL PHYSICS LETTERS 803 2022年09月16日

ISSN: 0009-2614

DOI
A Microscopic Theory for Preferential Solvation Effects on Viscosity

Arai, S; Yoshimori, A; Nakamura, Y; Akiyama, R

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 91 ( 9 ) 2022年09月15日

ISSN: 0031-9015

DOI
Domain-Resolved Photoelectron Microscopy and μm-Scale Momentum-Resolved Photoelectron Spectroscopy of Graphite Armchair Edge Facet

Matsui, F; Okano, Y; Matsuda, H; Yano, T; Nakamura, E; Kera, S; Suga, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 91 ( 9 ) 2022年09月15日

ISSN: 0031-9015

DOI
Exploration of Chemical Space for Designing Functional Molecules Accounting for Geometric Stability

Shiraogawa, T; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 13 ( 36 ) 8620 - 8627 2022年09月15日

ISSN: 1948-7185

DOI
Landscape-Based View on the Stepping Movement of Myosin VI

Terada, TP; Nie, QM; Sasai, M

JOURNAL OF PHYSICAL CHEMISTRY B 2022年09月15日

ISSN: 1520-6106

DOI
Roles of the Flexible Primary Coordination Sphere of the Mn4CaOx Cluster: What Are the Immediate Decay Products of the S3 State?

Isobe, H; Shoji, M; Suzuki, T; Shen, JR; Yamaguchi, K

JOURNAL OF PHYSICAL CHEMISTRY B 2022年09月15日

ISSN: 1520-6106

DOI
Structure and magnetic behavior of a two-dimensional honeycomb sheet containing trans-bridged platinum and iron trinuclear complex linked using rhodium acetate with chloride coordination

Takamori, A; Uemura, K

POLYHEDRON 224 2022年09月15日

ISSN: 0277-5387

DOI
Unraveling the promotional effects of NiCo catalysts over defective boron nitride nanosheets in dry reforming of methane

Kuboon, S; Deng, J; Gao, M; Faungnawakij, K; Hasegawa, JY; Zhang, XY; Shi, LY; Zhang, DS

CATALYSIS TODAY 402 283 - 291 2022年09月15日

ISSN: 0920-5861

DOI
A bottom-up approach to the ion recognition mechanism of K+ channels from laser spectroscopy of hydrated partial peptide-alkali metal ion complexes

Suzuki, Y; Hirata, K; Lisy, JM; Ishiuchi, S; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 35 ) 20803 - 20812 2022年09月14日

ISSN: 1463-9076

DOI
A self-assembled coordination cage enhances the reactivity of confined amides via mechanical bond-twisting

Tamura, H; Takezawa, H; Fujita, M; Ishikita, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 35 ) 21367 - 21371 2022年09月14日

ISSN: 1463-9076

DOI
Design of rotational potential in a phenyltriptycene molecular rotor by exploiting CH/π-interaction between tripticil hydrogen and phenyl

Inami, H; Inagaki, Y; Setaka, W

ORGANIC & BIOMOLECULAR CHEMISTRY 20 ( 35 ) 7092 - 7098 2022年09月14日

ISSN: 1477-0520

DOI
Residue-based program of a β-peptoid twisted strand shape via a cyclopentane constraint

Kim, J; Kobayashi, H; Yokomine, M; Shiratori, Y; Ueda, T; Takeuchi, K; Umezawa, K; Kuroda, D; Tsumo … 全著者表示

ORGANIC & BIOMOLECULAR CHEMISTRY 20 ( 35 ) 6994 - 7000 2022年09月14日

ISSN: 1477-0520

DOI
Nonequilibrium chiral soliton lattice in the monoaxial chiral magnet MnNb3S6

Ohkuma, M; Mito, M; Deguchi, H; Kousaka, Y; Ohe, J; Akimitsu, J; Kishine, J; Inoue, K

PHYSICAL REVIEW B 106 ( 10 ) 2022年09月13日

ISSN: 2469-9950

DOI
Quantum Algorithm of the Divide-and-Conquer Unitary Coupled Cluster Method with a Variational Quantum Eigensolver

Yoshikawa, T; Takanashi, T; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 18 ( 9 ) 5360 - 5373 2022年09月13日

ISSN: 1549-9618

DOI
Synthesis and Characterization of Silyl[n]acediynes (Linearly Fused Benzodehydro[12]annulenes): Utilizing Bulkiness of Silyl Groups to Improve Selectivity

Komatsubara, K; Inagaki, Y; Setaka, W

JOURNAL OF ORGANIC CHEMISTRY 2022年09月13日

ISSN: 0022-3263

DOI
Synthesis of neutral Li-endohedral PCBM: an n-dopant for fullerene derivatives

Ueno, H; Kitabatake, D; Lin, HS; Ma, Y; Jeon, I; Izawa, S; Hiramoto, M; Misaizu, F; Maruyama, S; Ma … 全著者表示

CHEMICAL COMMUNICATIONS 58 ( 73 ) 10190 - 10193 2022年09月13日

ISSN: 1359-7345

DOI
Asymmetric Dehydrative Cyclization of Allyl Alcohol to Cyclic Ether Using Chiral Bronsted Acid/CpRu(II) Hybrid Catalysts: A DFT Study of the Origin of Enantioselectivity

Ratanasak, M; Tanaka, S; Kitamura, M; Hasegawa, JY

JOURNAL OF ORGANIC CHEMISTRY 2022年09月12日

ISSN: 0022-3263

DOI
Selective Confinement of Rare-Earth-Metal Hydrates by a Capped Metallo-Cage under Aqueous Conditions

Tabuchi, R; Takezawa, H; Fujita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 37 ) 2022年09月12日

ISSN: 1433-7851

DOI
Fragmentation of Protonated Histamine and Histidine by Electrospray Ionization In-Source Collision-Induced Dissociation

Asakawa, D; Todoroki, K; Mizuno, H

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 33 ( 9 ) 1716 - 1722 2022年09月07日

ISSN: 1044-0305

DOI
High precision quantum simulation of ionization energies of single valence atoms

Villela, R; Prasannaa, VS; Das, BP

EUROPEAN PHYSICAL JOURNAL PLUS 137 ( 9 ) 2022年09月07日

ISSN: 2190-5444

DOI
Potential curves of the lower nine states of Li2 molecule: Accurate calculations with the free complement theory and the comparisons with the SAC/SAC-CI results

Nakatsuji, H; Nakashima, H

JOURNAL OF CHEMICAL PHYSICS 157 ( 9 ) 2022年09月07日

ISSN: 0021-9606

DOI
Spin-charge coupling and decoupling in perovskite-type iron oxides (Sr1-xBax)2/3La1/3FeO3

Onose, M; Takahashi, H; Saito, T; Kamiyama, T; Takahashi, R; Wadati, H; Kitao, S; Seto, M; Sagayama … 全著者表示

PHYSICAL REVIEW MATERIALS 6 ( 9 ) 2022年09月06日

ISSN: 2475-9953

DOI
Absolute Quantification of Pure Free Radical Reagents by Combination of the Effective Magnetic Moment Method and Quantitative Electron Paramagnetic Resonance Method

Matsumoto, N; Itoh, N; Yamasaki, K

ANALYTICAL CHEMISTRY 2022年09月05日

ISSN: 0003-2700

DOI
Determination of FRET orientation factor between artificial fluorophore and photosynthetic light-harvesting 2 complex (LH2)

Fujimoto, KJ; Miyashita, T; Dewa, T; Yanai, T

SCIENTIFIC REPORTS 12 ( 1 ) 2022年09月05日

ISSN: 2045-2322

DOI
Optical thin film coated organic nonlinear crystal for efficient terahertz wave generation

Uchida, H; Kawauchi, T; Otake, G; Koyama, C; Takeya, K; Tripathi, SR

SCIENTIFIC REPORTS 12 ( 1 ) 2022年09月05日

ISSN: 2045-2322

DOI
How Do the Axial and Equatorial Ligands Modulate the Reactivity of a Metal-Bound Terminal Oxidant? An Answer from the Hypochlorite Adduct of Iron(III) Porphyrin

Yokota, S; Suzuki, Y; Yanagisawa, S; Ogura, T; Nozawa, S; Hada, M; Fujii, H

ACS CATALYSIS 12 ( 17 ) 10857 - 10871 2022年09月02日

ISSN: 2155-5435

DOI
Cooperative antimicrobial action of melittin on lipid membranes: A coarse-grained molecular dynamics study

Miyazaki, Y; Shinoda, W

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES 1864 ( 9 ) 2022年09月01日

ISSN: 0005-2736

DOI
Effect of Li+ Addition during Initial Stage of Electrodeposition Process on Nucleation and Growth of Zn

Onabuta, Y; Kunimoto, M; Wang, SY; Fukunaka, Y; Nakai, H; Homma, T

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 169 ( 9 ) 2022年09月01日

ISSN: 0013-4651

DOI
Facile Multi-gram Preparation of trans-7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene, a Precursor of Benzopyrene Diol Epoxide

Kurono, N; Iwashita, Y; Sugimura, H

ORGANIC PREPARATIONS AND PROCEDURES INTERNATIONAL 54 ( 5 ) 457 - 464 2022年09月01日

ISSN: 0030-4948

DOI
Fine tunable metal assemblies constrained by multidentate phosphine ligands

Tanase, T; Nakamae, K; Ura, Y; Nakajima, T

COORDINATION CHEMISTRY REVIEWS 466 2022年09月01日

ISSN: 0010-8545

DOI
Layer-resolved magnetic moments in N-surfactant assisted FeNi ordered alloy thin films

Kawaguchi, K; Miyamachi, T; Gozlinski, T; Iimori, T; Takahashi, Y; Hattori, T; Yamamoto, K; Koitaya … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( SL ) 2022年09月01日

ISSN: 0021-4922

DOI
Self-assembly of nanostructures with high complexity based on metal•••unsaturated-bond coordination

Domoto, Y; Fujita, M

COORDINATION CHEMISTRY REVIEWS 466 2022年09月01日

ISSN: 0010-8545

DOI
Tetrathienyl Corannulene Compounds with Highly Sensitive Photochromism

Yamada, M; Sawazaki, T; Fujita, M; Asanoma, F; Nishikawa, Y; Kawai, T

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 49 ) 2022年09月01日

ISSN: 0947-6539

DOI
Application study of infrared free-electron lasers towards the development of amyloidosis therapy

Jindo, M; Nakamura, K; Okumura, H; Tsukiyama, K; Kawasaki, T

JOURNAL OF SYNCHROTRON RADIATION 29 1133 - 1140 2022年09月

ISSN: 0909-0495

DOI
Elucidation of the Correlation between Heme Distortion and Tertiary Structure of the Heme-Binding Pocket Using a Convolutional Neural Network

Kondo, HX; Iizuka, H; Masumoto, G; Kabaya, Y; Kanematsu, Y; Takano, Y

BIOMOLECULES 12 ( 9 ) 2022年09月

DOI
Exploring Biomolecular Self-Assembly with Far-Infrared Radiation

Kawasaki, T; Yamaguchi, Y; Kitahara, H; Irizawa, A; Tani, M

BIOMOLECULES 12 ( 9 ) 2022年09月

DOI
Hard X-Ray Photoemission Study of Heusler-Type Fe2-xRexVAl Thermoelectric Compounds

Asai, M; Miyazaki, H; Watanabe, K; Yasui, A; Takagi, Y; Nishino, Y

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 259 ( 9 ) 2022年09月

ISSN: 0370-1972

DOI
Nanoscale optical imaging with photoinduced force microscopy in heterodyne amplitude modulation and heterodyne frequency modulation modes

Yamanishi, J; Li, YJ; Naitoh, Y; Sugawara, Y

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS 52 2022年09月

ISSN: 1389-5567

DOI
Preparation of Benzothiazoles and Heterocyclic Spiro Compounds Through Cu-catalyzed S-S Bond Cleavage and C-S Bond Formation

Minami, K; Minakawa, M; Uozumi, Y

ASIAN JOURNAL OF ORGANIC CHEMISTRY 11 ( 9 ) 2022年09月

ISSN: 2193-5807

DOI
Reaction of nitrous oxide and ammonia molecules at 4H-SiC/SiO2 interface: An ab initio study

Akiyama, T; Shimizu, T; Ito, T; Kageshima, H; Shiraishi, K

SURFACE SCIENCE 723 2022年09月

ISSN: 0039-6028

DOI
Substrate-Specific Activation and Long-Range Olefin Migration Catalysis at the Pd Centers in a Porous Metal-Macrocycle Framework

Han, MY; Tashiro, S; Shiraogawa, T; Ehara, M; Shionoya, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 9 ) 1303 - 1307 2022年09月

ISSN: 0009-2673

DOI
Synthesis and Electronic Characterization of Weyl Semimetal TaSb2 Polycrystalline Material

Masuda, I; Miyazaki, H; Yoshimura, M; Ishii, H; Nishino, Y

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 259 ( 9 ) 2022年09月

ISSN: 0370-1972

DOI
The Steric Effect in Preparations of Vanadium(II)/(III) Dinitrogen Complexes of Triamidoamine Ligands Bearing Bulky Substituents

Kokubo, Y; Igarashi, I; Nakao, K; Hachiya, W; Kugimiya, S; Ozawa, T; Masuda, H; Kajita, Y

MOLECULES 27 ( 18 ) 2022年09月

DOI
Time-resolved and temperature-dependent spectroscopy for blue luminescence of monoclinic YSiO2N:Ce3+ phosphor

Kitagawa, Y; Ueda, J; Tanabe, S

JOURNAL OF LUMINESCENCE 249 2022年09月

ISSN: 0022-2313

DOI
N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation

Sato, H; Suizu, R; Kato, T; Yagi, A; Segawa, Y; Awaga, K; Itami, K

CHEMICAL SCIENCE 13 ( 34 ) 9947 - 9951 2022年08月31日

ISSN: 2041-6520

DOI
Structure of Gas Phase Monohydrated Nicotine: Implications for Nicotine?s Native Structure in the Acetylcholine Binding Protein

Santis, GD; Takeda, N; Hirata, K; Tsuruta, K; Ishiuchi, S; Xantheas, SS; Fujii, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2022年08月31日

ISSN: 0002-7863

DOI
Aggregation-induced enhanced fluorescence by hydrogen bonding in π-conjugated tricarbocycles with a CF2CF2-containing cyclohexa-1,3-diene skeleton

Ohsato, H; Morita, M; Yamada, S; Agou, T; Fukumoto, H; Konno, T

MOLECULAR SYSTEMS DESIGN & ENGINEERING 7 ( 9 ) 1129 - 1137 2022年08月30日

ISSN: 2058-9689

DOI
Significant role of counterion for lead(II) ion adsorption on carbon pore surface

Horikawa, T; Okamoto, M; Kuroki-Matsumoto, A; Yoshida, K

CARBON 196 575 - 588 2022年08月30日

ISSN: 0008-6223

DOI
A Red-Light-Driven CO-Releasing Complex: Photoreactivities and Excited-State Dynamics of Highly Distorted Tricarbonyl Rhenium Phthalocyanines

Wang, MF; Murata, K; Koike, Y; Jonusauskas, G; Furet, A; Bassani, DM; Saito, D; Kato, M; Shimoda, Y … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 48 ) 2022年08月26日

ISSN: 0947-6539

DOI
Extension of natural reaction orbital approach to multiconfigurational wavefunctions

Ebisawa, S; Tsutsumi, T; Taketsugu, T

JOURNAL OF CHEMICAL PHYSICS 157 ( 8 ) 2022年08月25日

ISSN: 0021-9606

DOI
Barium Indate-Zirconate Perovskite Oxyhydride with Enhanced Hydride Ion/Electron Mixed Conductivity

Toriumi, H; Kobayashi, G; Saito, T; Kamiyama, T; Sakai, T; Nomura, T; Kitano, S; Habazaki, H; Aoki, … 全著者表示

CHEMISTRY OF MATERIALS 34 ( 16 ) 7389 - 7401 2022年08月23日

ISSN: 0897-4756

DOI
Self-Regulated Pathway-Dependent Chirality Control of Silver Nanoclusters

Nakashima, T; Tanibe, R; Yoshida, H; Ehara, M; Kuzuhara, M; Kawai, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 34 ) 2022年08月22日

DOI
Using neural network potentials to study defect formation and phonon properties of nitrogen vacancies with multiple charge states in GaN

Shimizu, K; Dou, Y; Arguelles, EF; Moriya, T; Minamitani, E; Watanabe, S

PHYSICAL REVIEW B 106 ( 5 ) 2022年08月22日

ISSN: 2469-9950

DOI
Machine-learning assisted design principle search for singlet fission: an example study of cibalackrot

Weber, F; Mori, H

NPJ COMPUTATIONAL MATERIALS 8 ( 1 ) 2022年08月20日

DOI
Near-Infrared and Dual Emissions of Diphenylamino Group-Substituted Malachite Green Derivatives

Mori, T; Sekine, K; Kawashima, K; Mori, T; Kuninobu, Y

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2022 ( 31 ) 2022年08月19日

ISSN: 1434-193X

DOI
Structures and Oxidation Properties of Phenylene-Bridged Diazacycloalkanes: Ring Size Effects on Structures and Properties

Setaka, W; Kajiyama, K; Inagaki, Y

JOURNAL OF ORGANIC CHEMISTRY 87 ( 16 ) 10869 - 10875 2022年08月19日

ISSN: 0022-3263

DOI
Activity and selectivity of N2 fixation on B doped g-C9N10: a density functional theory study

Wang, YL; Pham, TN; Yan, LK; Morikawa, Y

JOURNAL OF MATERIALS CHEMISTRY C 10 ( 32 ) 11791 - 11800 2022年08月18日

ISSN: 2050-7526

DOI
Photoinduced Drude weights critically enhanced by charge fluctuations in a one-dimensional Mott insulator

Yamaguchi, T; Iwano, K; Okamoto, H

PHYSICAL REVIEW B 106 ( 8 ) 2022年08月18日

ISSN: 2469-9950

DOI
Thermal release of quinoliniums and simple alkenes from their photocycloadducts by a retro-Diels-Alder reaction

Morofuji, T; Nagai, S; Kano, N

TETRAHEDRON LETTERS 104 2022年08月17日

ISSN: 0040-4039

DOI
Factor analysis of error in oxidation potential calculation: A machine learning study

Kanamaru, Y; Matsui, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 43 ( 22 ) 1504 - 1512 2022年08月15日

ISSN: 0192-8651

DOI
Functionalization of the MoS2 basal plane for activation of molecular hydrogen by Pd deposition

Ozaki, F; Tanaka, S; Osada, W; Mukai, K; Horio, M; Koitaya, T; Yamamoto, S; Matsuda, I; Yoshinobu, J

APPLIED SURFACE SCIENCE 593 2022年08月15日

ISSN: 0169-4332

DOI
Magnetically bound nature of a holon-doublon pair in two-dimensional photoexcited Mott insulators

Iwano, K; Okamoto, H

PHYSICAL REVIEW B 106 ( 7 ) 2022年08月15日

ISSN: 2469-9950

DOI
Medium Diradical Character, Small Hole and Electron Reorganization Energies and Ambipolar Transistors in Difluorenoheteroles

Mori, S; Quintero, SM; Tabaka, N; Kishi, R; Núñez, RG; Harbuzaru, A; Ortiz, RP; Marín-Beloqui, J; S … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 33 ) 2022年08月15日

ISSN: 1433-7851

DOI
Sample-shape dependent energy levels in organic semiconductors

Abd-Rahman, SA; Yamaguchi, T; Kera, S; Yoshida, H

PHYSICAL REVIEW B 106 ( 7 ) 2022年08月15日

ISSN: 2469-9950

DOI
Electron in a cube: Synthesis and characterization of perfluorocubane as an electron acceptor

Sugiyama, M; Akiyama, M; Yonezawa, Y; Komaguchi, K; Higashi, M; Nozaki, K; Okazoe, T

SCIENCE 377 ( 6607 ) 756 - 759 2022年08月12日

ISSN: 0036-8075

DOI
N-Heterocyclic carbene-based C-centered Au(I)-Ag(I) clusters with intense phosphorescence and organelle-selective translocation in cells

Lei, Z; Endo, M; Ube, H; Shiraogawa, T; Zhao, P; Nagata, K; Pei, XL; Eguchi, T; Kamachi, T; Ehara, … 全著者表示

NATURE COMMUNICATIONS 13 ( 1 ) 2022年08月10日

DOI
Tetranuclear Pd4, PtnPd4-n (n=1-3), and Pt4 Chains Supported by rac- and meso-Ph2PCH2P(Ph)N(Ar)P(Ph)CH2PPh2 Tuned by Changing N-Substituents, P-Configuration, and Terminal Ligands

Tanase, T; Fujisawa, Y; Morita, Y; Ura, Y; Nakajima, T

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2022 ( 22 ) 2022年08月08日

ISSN: 1434-1948

DOI
Global diffusion of hydrogen molecules in the heterogeneous structure of polymer electrolytes for fuel cells: Dynamic Monte Carlo combined with molecular dynamics calculations

Nagai, T; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 157 ( 5 ) 2022年08月07日

ISSN: 0021-9606

DOI
Hyper-Raman spectroscopy of benzene and pyridine revisited

Inoue, K; Morimoto, T; Yokogawa, D; Okuno, M

JOURNAL OF CHEMICAL PHYSICS 157 ( 5 ) 2022年08月07日

ISSN: 0021-9606

DOI
Design and Synthesis of Cyclopropane Congeners of Resolvin E3, an Endogenous Pro-Resolving Lipid Mediator, as Its Stable Equivalents

Arai, S; Fujiwara, K; Kojima, M; Aoki-Saito, H; Yatomi, M; Saito, T; Koga, Y; Fukuda, H; Watanabe, … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 87 ( 15 ) 10501 - 10508 2022年08月05日

ISSN: 0022-3263

DOI
Iridium-catalyzed α-selective deuteration of alcohols

Itoga, M; Yamanishi, M; Udagawa, T; Kobayashi, A; Maekawa, K; Takemoto, Y; Naka, H

CHEMICAL SCIENCE 13 ( 30 ) 8744 - 8751 2022年08月04日

ISSN: 2041-6520

DOI
Evaluation of net interactions for liquid methane based on coarse-grained simulation

Honda, K

JOURNAL OF MOLECULAR LIQUIDS 359 2022年08月01日

ISSN: 0167-7322

DOI
Sigma enlarging bridge correction of three dimensional Ornstein-Zernike theory for solvation free energy of polyatomic solutes immersed in Lennard-Jones monatomic solvent

Miyata, T; Hikasa, Y

AIP ADVANCES 12 ( 8 ) 2022年08月01日

DOI
Conformational Variability of Amyloid-β and the Morphological Diversity of Its Aggregates

Yagi-Utsumi, M; Kato, K

MOLECULES 27 ( 15 ) 2022年08月

DOI
Depolarizing Effects in Hydrogen Bond Energy in 310-Helices Revealed by Quantum Chemical Analysis

Kondo, HX; Nakamura, H; Takano, Y

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 23 ( 16 ) 2022年08月

ISSN: 1661-6596

DOI
Field-free superconducting diode effect in noncentrosymmetric superconductor/ferromagnet multilayers

Narita, H; Ishizuka, J; Kawarazaki, R; Kan, D; Shiota, Y; Moriyama, T; Shimakawa, Y; Ognev, A; Sama … 全著者表示

NATURE NANOTECHNOLOGY 17 ( 8 ) 823 - + 2022年08月

ISSN: 1748-3387

DOI
Generation of Twisted Gamma-Rays via Two-Photon Transition

Tashiro, M; Sasao, N; Tanaka, M

ANNALEN DER PHYSIK 534 ( 8 ) 2022年08月

ISSN: 0003-3804

DOI
Intermolecular Interaction of Tetrabutylammonium and Tetrabutylphosphonium Salt Hydrates by Low-Frequency Raman Observation

Miwa, Y; Nagahama, T; Sato, H; Tani, A; Takeya, K

MOLECULES 27 ( 15 ) 2022年08月

DOI
Octanuclear heterometallic one-dimensional complex extended by metal-metal bonds showing MMLCT in the visible region

Uemura, K; Sakurai, K; Kobayashi, Y

INORGANIC CHEMISTRY COMMUNICATIONS 142 2022年08月

ISSN: 1387-7003

DOI
The Pnictogen Bond, Together with Other Non-Covalent Interactions, in the Rational Design of One-, Two- and Three-Dimensional Organic-Inorganic Hybrid Metal Halide Perovskite Semiconducting Materials, and Beyond

Varadwaj, A; Varadwaj, PR; Marques, HM; Yamashita, K

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 23 ( 15 ) 2022年08月

ISSN: 1661-6596

DOI
Coster-Kronig and super Coster-Kronig transitions from the Xe 4s core-hole state

Hikosaka, Y; Fritzsche, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 29 ) 17535 - 17541 2022年07月27日

ISSN: 1463-9076

DOI
Density functional theory study of NO-H2O coadsorption on Cu(111)

Pham, TN; Hamamoto, Y; Inagaki, K; Hamada, I; Morikawa, Y

PHYSICAL REVIEW MATERIALS 6 ( 7 ) 2022年07月25日

ISSN: 2475-9953

DOI
Oxidation Potential Gap (ΔEox): The Hidden Parameter in Redox Chemistry

Okamoto, K; Shida, N; Morizumi, H; Kitano, Y; Chiba, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 30 ) 2022年07月25日

ISSN: 1433-7851

DOI
Repulsive segregation of fluoroalkyl side chains turns a cohesive polymer into a mechanically tough, ultrafast self-healable, nonsticky elastomer

Miwa, Y; Udagawa, T; Kutsumizu, S

SCIENTIFIC REPORTS 12 ( 1 ) 2022年07月25日

ISSN: 2045-2322

DOI
Synthesis of multicomponent crystals composed of 4-amino-1-methylpyridinium p-toluenesulfonate and phenol derivatives

Uno, K; Yamakado, R; Okada, S

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 742 ( 1 ) 111 - 118 2022年07月24日

ISSN: 1542-1406

DOI
A path integral molecular dynamics study on the NH4+ rotation in NH4+MIDLINE HORIZONTAL ELLIPSISXH2 (X = Be or Mg) dihydrogen bond systems

Udagawa, T; Kinoshita, A; Kuwahata, K; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 28 ) 17295 - 17302 2022年07月21日

ISSN: 1463-9076

DOI
All-atomistic molecular dynamics study of the glass transition of amorphous polymers

Tang, Z; Okazaki, S

POLYMER 254 2022年07月21日

ISSN: 0032-3861

DOI
Effect of alkali metal cations on network rearrangement in polyisoprene ionomers

Miwa, Y; Hasegawa, K; Udagawa, T; Shinke, Y; Kutsumizu, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 28 ) 17042 - 17049 2022年07月21日

ISSN: 1463-9076

DOI
Molecular Insights into the Intrinsic Dynamics and Their Roles During Catalysis in Pin1 Peptidyl-prolyl Isomerase

Mori, T; Saito, S

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 28 ) 5185 - 5193 2022年07月21日

ISSN: 1520-6106

DOI
Post-translational amino acid conversion in photosystem II as a possible origin of photosynthetic oxygen evolution

Shimada, Y; Suzuki, T; Matsubara, T; Kitajima-Ihara, T; Nagao, R; Dohmae, N; Noguchi, T

NATURE COMMUNICATIONS 13 ( 1 ) 2022年07月21日

DOI
Reaction Mechanism of Deoxydehydration by Ceria-Supported Monomeric Rhenium Catalysts: A Computational Study

Hosaka, R; Asada, D; Cao, J; Tamura, M; Nakagawa, Y; Tomishige, K; Hasegawa, JY; Nakayama, A

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 28 ) 11566 - 11573 2022年07月21日

ISSN: 1932-7447

DOI
Verification for Temperature Dependence of Tacticity in Polystyrene Radical Polymerization with the Combination of Reaction Pathway Analysis and Red Moon Methodology

Rao, ZZ; Takayanagi, M; Nagaoka, M

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 28 ) 5343 - 5350 2022年07月21日

ISSN: 1520-6106

DOI
Phenylboronic Ester-Activated Aryl Iodide-Selective Buchwald- Hartwig-Type Amination toward Bioactivity Assay

Dhital, RN; Sen, A; Hu, H; Ishii, R; Sato, T; Yashiroda, Y; Kimura, H; Boone, C; Yoshida, M; Futamu … 全著者表示

ACS OMEGA 7 ( 28 ) 24184 - 24189 2022年07月19日

ISSN: 2470-1343

DOI
Synthesis and Isolation of a Kekule Hydrocarbon with a Triplet Ground State

Shimizu, A; Morikoshi, T; Sugisaki, K; Shiomi, D; Sato, K; Takui, T; Shintani, R

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 29 ) 2022年07月18日

ISSN: 1433-7851

DOI
Cluster-Geometry-Associated Metal-Metal Bonding in Trimetallic Carbide Clusterfullerenes

Hu, SF; Zhao, P; Li, B; Yu, PW; Yang, L; Ehara, M; Jin, P; Akasaka, T; Lu, X

INORGANIC CHEMISTRY 2022年07月15日

ISSN: 0020-1669

DOI
Anomalously Efficient Dehydrogenation of NH3 on Ir4+and Ir5+

Hirabayashi, S; Ichihashi, M

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 27 ) 4451 - 4455 2022年07月14日

ISSN: 1089-5639

DOI
Identifying Substrate-Dependent Chemical Bonding Nature at Molecule/Metal Interfaces Using Vibrational Sum Frequency Generation Spectroscopy and Theoretical Calculations

Wang, B; Ito, M; Gao, M; Noguchi, H; Uosaki, K; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 27 ) 11298 - 11309 2022年07月14日

ISSN: 1932-7447

DOI
Large Conformational Change in the Isomerization of Flexible Crown Ether Observed at Low Temperature

Ito, R; He, X; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 27 ) 4359 - 4366 2022年07月14日

ISSN: 1089-5639

DOI
An embeddable molecular code for Lewis X modification through interaction with fucosyltransferase 9

Saito, T; Yagi, H; Kuo, CW; Khoo, KH; Kato, K

COMMUNICATIONS BIOLOGY 5 ( 1 ) 2022年07月13日

DOI
GALAXY ver3: updated web application for glycosylation profiling based on 3D HPLC map

Yagi, H; Amagasa, E; Shiota, M; Yamada, I; Aoki-Kinoshita, KF; Kato, K

GLYCOBIOLOGY 32 ( 8 ) 646 - 650 2022年07月13日

ISSN: 0959-6658

DOI
Multistructural microiteration combined with QM/MM-ONIOM electrostatic embedding

Suzuki, K; Maeda, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 27 ) 16762 - 16773 2022年07月13日

ISSN: 1463-9076

DOI
Solvation in nitration of benzene and the valence electronic structure of the Wheland intermediate

Nakatani, K; Teshigawara, S; Tanahashi, Y; Kasahara, K; Higashi, M; Sato, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 27 ) 16453 - 16461 2022年07月13日

ISSN: 1463-9076

DOI
Application of Thiourea/Halogen Bond Donor Cocatalysis in Metal-Free Cationic Polymerization of Isobutyl Vinyl Ether and Styrene Derivatives

Takagi, K; Murakata, H; Hasegawa, T

MACROMOLECULES 55 ( 13 ) 5756 - 5765 2022年07月12日

ISSN: 0024-9297

DOI
Extraction of local spin-coupled states by second quantized operators

Nakatani, K; Higashi, M; Sato, H

JOURNAL OF CHEMICAL PHYSICS 157 ( 1 ) 2022年07月07日

ISSN: 0021-9606

DOI
Nitrogen reduction by the Fe sites of synthetic [Mo3S4Fe] cubes

Ohki, Y; Munakata, K; Matsuoka, Y; Hara, R; Kachi, M; Uchida, K; Tada, M; Cramer, RE; Sameera, WMC; … 全著者表示

NATURE 607 ( 7917 ) 86 - + 2022年07月07日

ISSN: 0028-0836

DOI
Binaphthyl-Bridged Pyrenophanes: Intense Circularly Polarized Luminescence Based on a D2 Symmetry Strategy

Takaishi, K; Murakami, S; Yoshinami, F; Ema, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 27 ) 2022年07月04日

ISSN: 1433-7851

DOI
Ab initio study for orientation dependence of nitrogen incorporation at 4H-SiC/SiO2 interfaces

Akiyama, T; Shimizu, T; Ito, T; Kageshima, H; Chokawa, K; Shiraishi, K

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( SH ) 2022年07月01日

ISSN: 0021-4922

DOI
Supercurrent-induced topological phase transitions

Takasan, K; Sumita, S; Yanase, Y

PHYSICAL REVIEW B 106 ( 1 ) 2022年07月01日

ISSN: 2469-9950

DOI
Vacuum ultraviolet photoluminescence of NaMgF3:Sm and NaMgF3:Sm,Ce: energy levels of the lanthanides in NaMgF3:Ln compounds

Schuyt, JJ; Williams, GVM; Shinohara, K; Shimizu, T; Yamanoi, K; Cadatal-Raduban, M

METHODS AND APPLICATIONS IN FLUORESCENCE 10 ( 3 ) 2022年07月01日

ISSN: 2050-6120

DOI
Conserved GYXLI Motif of FlhA Is Involved in Dynamic Domain Motions of FlhA Required for Flagellar Protein Export

Minamino, T; Kinoshita, M; Inoue, Y; Kitao, A; Namba, K

MICROBIOLOGY SPECTRUM 10 ( 4 ) 2022年07月

ISSN: 2165-0497

DOI
Deep eutectic solvent assisted ionothermal synthesis of cobalt based metal-organic complex as electrode material in supercapacitors

Selvanathan, V; Razali, SA; Nishida, J; Tomura, M; Muhammad, G; Abdullah, H; Watanabe, A; Akhtaruzz … 全著者表示

JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T 19 4417 - 4427 2022年07月

ISSN: 2238-7854

DOI
Evaluation of an Appropriate Standard Hydrogen Electrode Potential for Computing Redox Potentials of Catechins with Density Functional Theory

Duan, L; Takano, Y; Shigeta, Y

CHEMISTRY LETTERS 51 ( 7 ) 673 - 677 2022年07月

ISSN: 0366-7022

DOI
Free Energy and Solvation Structure Analysis for Adsorption of Aromatic Molecules at Pt(111)/Water Interface by 3D-RISM Theory

Takamatsu, A; Higashi, M; Sato, H

CHEMISTRY LETTERS 51 ( 7 ) 791 - 795 2022年07月

ISSN: 0366-7022

DOI
Highly sensitive tryptophan fluorescence probe for detecting rhythmic conformational changes of KaiC in the cyanobacterial circadian clock system

Mukaiyama, A; Furuike, Y; Yamashita, E; Akiyama, S

BIOCHEMICAL JOURNAL 479 ( 14 ) 1505 - 1515 2022年07月

ISSN: 0264-6021

DOI
Implementations of replica-permutation and replica sub-permutation methods into LAMMPS

Yamauchi, M; La Penna, G; Itoh, SG; Okumura, H

COMPUTER PHYSICS COMMUNICATIONS 276 2022年07月

ISSN: 0010-4655

DOI
Observation and theory of strong circular dichroism in angle-revolved photoemission from graphite

Kruger, P; Matsui, F

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 258 2022年07月

ISSN: 0368-2048

DOI
Pressure-Induced Superconductivity of the Quasi-One-Dimensional Organic Conductor (TMTTF)2TaF6

Itoi, M; Nakamura, T; Uwatoko, Y

MATERIALS 15 ( 13 ) 2022年07月

DOI
Remarked suppression of Aβ42 protomer-protomer dissociation reaction elucidated by molecular dynamics simulation

Kurisaki, I; Tanaka, S

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 90 ( 7 ) 1367 - 1375 2022年07月

ISSN: 0887-3585

DOI
Structure of Heme-binding Pocket in Heme Protein is Generally Rigid and can be Predicted by AlphaFold2

Kondo, HX; Kanematsu, Y; Takano, Y

CHEMISTRY LETTERS 51 ( 7 ) 704 - 708 2022年07月

ISSN: 0366-7022

DOI
Theoretical prediction of pH-dependent electronic spectra in aqueous solution: A combinational application of QM/MM calculations and constant-pH simulations with configuration-selection scheme

Bistafa, C; Kitamura, Y; Nagaoka, M

CHEMICAL PHYSICS LETTERS 798 2022年07月

ISSN: 0009-2614

DOI
Perfluorocycloparaphenylenes

Shudo, H; Kuwayama, M; Shimasaki, M; Nishihara, T; Takeda, Y; Mitoma, N; Kuwabara, T; Yagi, A; Sega … 全著者表示

NATURE COMMUNICATIONS 13 ( 1 ) 2022年06月28日

DOI
Topological descriptor of thermal conductivity in amorphous Si

Minamitani, E; Shiga, T; Kashiwagi, M; Obayashi, I

JOURNAL OF CHEMICAL PHYSICS 156 ( 24 ) 2022年06月28日

ISSN: 0021-9606

DOI
Trihalide Mixing by Size-Flexible H- Ions in Layered Ba2H3 (Cl, Br, I)

Ubukata, H; Takeiri, F; Tassel, C; Kobayashi, S; Kawaguchi, S; Saito, T; Kamiyama, T; Kobayashi, S; … 全著者表示

CHEMISTRY OF MATERIALS 34 ( 12 ) 5654 - 5662 2022年06月28日

ISSN: 0897-4756

DOI
Van Hove singularity and Lifshitz transition in thickness-controlled Li-intercalated graphene

Ichinokura, S; Toyoda, M; Hashizume, M; Horii, K; Kusaka, S; Ideta, S; Tanaka, K; Shimizu, R; Hitos … 全著者表示

PHYSICAL REVIEW B 105 ( 23 ) 2022年06月28日

ISSN: 2469-9950

DOI
Dielectric response of 1,1-difluorosumanene caused by an in-plane motion

Li, MH; Wu, JY; Sambe, K; Yakiyama, Y; Akutagawa, T; Kajitani, T; Fukushima, T; Matsuda, K; Sakurai … 全著者表示

MATERIALS CHEMISTRY FRONTIERS 6 ( 13 ) 1752 - 1758 2022年06月27日

DOI
Fluctuating spin-orbital texture of Rashba-split surface states in real and reciprocal space

Nakamura, T; Ohtsubo, Y; Harasawa, A; Yaji, K; Shin, S; Komori, F; Kimura, S

PHYSICAL REVIEW B 105 ( 23 ) 2022年06月27日

ISSN: 2469-9950

DOI
Magnetic orientation behavior of L-type zeolite with rare-earth elements under low magnetic field

Tabata, T; Nagai, A; Matsuda, M

DALTON TRANSACTIONS 51 ( 25 ) 9601 - 9605 2022年06月27日

ISSN: 1477-9226

DOI
Not That DDT: A Databank of Dynamics Trajectories for Organic Reactions

Zhang, Y; Sayama, M; Luo, M; Lu, YN; Tantillo, DJ

JOURNAL OF CHEMICAL EDUCATION 2022年06月27日

ISSN: 0021-9584

DOI
Strong Proton-Electron Coupling in π-Planar Metal Complex with Redox-Active Ligands

Huang, PP; Yoshida, Y; Nakano, Y; Yamochi, H; Hayashi, M; Kitagawa, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 26 ) 2022年06月27日

ISSN: 1433-7851

DOI
Critical contributions of pre-S1 shoulder and distal TRP box in DAG-activated TRPC6 channel by PIP2 regulation

Mori, MX; Okada, R; Sakaguchi, R; Hase, H; Imai, Y; Polat, OK; Itoh, SG; Okumura, H; Mori, Y; Okamu … 全著者表示

SCIENTIFIC REPORTS 12 ( 1 ) 2022年06月24日

ISSN: 2045-2322

DOI
Hydrophobic Cluster Formation in Aqueous Ethanol Solutions Probed by Soft X-ray Absorption Spectroscopy

Nagasaka, M; Bouvier, M; Yuzawa, H; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY B 2022年06月24日

ISSN: 1520-6106

DOI
Chiral Counteranion-Directed Catalytic Asymmetric Methylene Migration Reaction of Ene-Aldimines

Momiyama, N; Jongwohan, C; Ohtsuka, N; Chaibuth, P; Fujinami, T; Adachi, K; Suzuki, T

JOURNAL OF ORGANIC CHEMISTRY 2022年06月23日

ISSN: 0022-3263

DOI
Nonpolarizable Force Fields through the Self-Consistent Modeling Scheme with MD and DFT Methods: From Ionic Liquids to Self-Assembled Ionic Liquid Crystals

Ishii, Y; Matubayasi, N; Washizu, H

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 24 ) 4611 - 4622 2022年06月23日

ISSN: 1520-6106

DOI
Probing Lattice Dynamics in Two-Dimensional InorganicPseudohalide Perovskites with Ultrafast Infrared Spectroscopy

Xing, XY; Li, JY; Breen, JP; Nishida, J; Karunadasa, H; Fayer, MD

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 24 ) 10145 - 10158 2022年06月23日

ISSN: 1932-7447

DOI
Adsorption characteristics of peptides on ω-functionalized self-assembled monolayers: a molecular dynamics study

Yadav, HOS; Kuo, AT; Urata, S; Funahashi, K; Imamura, Y; Shinoda, W

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 24 ) 14805 - 14815 2022年06月22日

ISSN: 1463-9076

DOI
Bose enhancement of excitation-energy transfer with molecular-exciton-polariton condensates

Phuc, NT

JOURNAL OF CHEMICAL PHYSICS 156 ( 23 ) 2022年06月21日

ISSN: 0021-9606

DOI
Coupling of kz-dispersing ? bands with surface localized states in graphite

Matsui, F; Suga, S

PHYSICAL REVIEW B 105 ( 23 ) 2022年06月21日

ISSN: 2469-9950

DOI
Controlled Tetradeuteration of Straight-Chain Fatty Acids: Synthesis, Application, and Insight into the Metabolism of Oxidized Linoleic Acid

Watanabe, A; Hama, K; Watanabe, K; Fujiwara, Y; Yokoyama, K; Murata, S; Takita, R

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 25 ) 2022年06月20日

ISSN: 1433-7851

DOI
Mechanistic Insight into Rh-Catalyzed C(sp2)-O Bond Cleavage Applied to Cross-Coupling Reaction of Benzofurans with Aryl Grignard Reagents

Iwasaki, T; Ishiga, W; Pal, S; Nozaki, K; Kambe, N

ACS CATALYSIS 12 ( 13 ) 7936 - 7949 2022年06月20日

ISSN: 2155-5435

DOI
Amphotericin B assembles into seven-molecule ion channels: An NMR and molecular dynamics study

Umegawa, Y; Yamamoto, T; Dixit, M; Funahashi, K; Seo, S; Nakagawa, Y; Suzuki, T; Matsuoka, S; Tsuch … 全著者表示

SCIENCE ADVANCES 8 ( 24 ) 2022年06月17日

ISSN: 2375-2548

DOI
Observation of Collective Resonance Modes in a Chiral Spin Soliton Lattice with Tunable Magnon Dispersion

Shimamoto, Y; Matsushima, Y; Hasegawa, T; Kousaka, Y; Proskurin, ; Kishine, J; Ovchinnikov, AS; Gon … 全著者表示

PHYSICAL REVIEW LETTERS 128 ( 24 ) 2022年06月17日

ISSN: 0031-9007

DOI
Photoinduced Divergent Deaminative Borylation and Hydrodeamination of Primary Aromatic Amines

Shiozuka, A; Sekine, K; Toki, T; Kawashima, K; Mori, T; Kuninobu, Y

ORGANIC LETTERS 24 ( 23 ) 4281 - 4285 2022年06月17日

ISSN: 1523-7060

DOI
Computed Three-Dimensional Atomic Force Microscopy Images of Biopolymers Using the Jarzynski Equality

Sumikama, T; Canova, FF; Gao, DZ; Penedo, M; Miyazawa, K; Foster, AS; Fukuma, T

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 13 ( 23 ) 5365 - 5371 2022年06月16日

ISSN: 1948-7185

DOI
Conformationally Fixed Chiral Bisphosphine Ligands by Steric Modulators on the Ligand Backbone: Selective Synthesis of Strained 1,2-Disubstituted Chiral cis-Cyclopropanes

Iwamoto, H; Ozawa, Y; Hayashi, Y; Imamoto, T; Ito, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 23 ) 10483 - 10494 2022年06月15日

ISSN: 0002-7863

DOI
Hydrogen absorption and diffusion behaviors in cube-shaped palladium nanoparticles revealed by ambient-pressure X-ray photoelectron spectroscopy

Tang, JY; Seo, O; Rocabado, DSR; Koitaya, T; Yamamoto, S; Nanba, Y; Song, C; Kim, J; Yoshigoe, A; K … 全著者表示

APPLIED SURFACE SCIENCE 587 2022年06月15日

ISSN: 0169-4332

DOI
Unconventional superconductivity in UTe2

Aoki, D; Brison, JP; Flouquet, J; Ishida, K; Knebel, G; Tokunaga, Y; Yanase, Y

JOURNAL OF PHYSICS-CONDENSED MATTER 34 ( 24 ) 2022年06月15日

ISSN: 0953-8984

DOI
Osmotic second virial coefficients for hydrophobic interactions as a function of solute size

Naito, H; Okamoto, R; Sumi, T; Koga, K

JOURNAL OF CHEMICAL PHYSICS 156 ( 22 ) 2022年06月14日

ISSN: 0021-9606

DOI
Stochastic evaluation of four-component relativistic second-order many-body perturbation energies: A potentially quadratic-scaling correlation method

Cruz, JC; Garza, J; Yanai, T; Hirata, S

JOURNAL OF CHEMICAL PHYSICS 156 ( 22 ) 2022年06月14日

ISSN: 0021-9606

DOI
Electrophilic Spirocyclization of a 2-Biphenylacetylene via Conformational Fixing within a Hollow-Cage Host

Takezawa, H; Fujii, Y; Murase, T; Fujita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 24 ) 2022年06月13日

ISSN: 1433-7851

DOI
Theoretical Study of N-H Σ-Bond Activation by Nickel(0) Complex: Reaction Mechanism, Electronic Processes, and Prediction of Better Ligand

Meng, QX; Zhu, B; Sakaki, S

INORGANIC CHEMISTRY 61 ( 23 ) 8715 - 8728 2022年06月13日

ISSN: 0020-1669

DOI
Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(ii) molecular crystal

Hagiwara, H; Konomura, S

CRYSTENGCOMM 24 ( 23 ) 4224 - 4234 2022年06月13日

DOI
Double-pulsed wave packets in spontaneous radiation from a tandem undulator

Kaneyasu, T; Hosaka, M; Mano, A; Takashima, Y; Fujimoto, M; Salehi, E; Iwayama, H; Hikosaka, Y; Kat … 全著者表示

SCIENTIFIC REPORTS 12 ( 1 ) 2022年06月11日

ISSN: 2045-2322

DOI
Atomic-Scale Picture of the Electric Double Layer around a Heterogeneous Solid-Liquid Interface Based on 3D-RISM-SCF Theory

Iida, K

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 22 ) 9466 - 9474 2022年06月09日

ISSN: 1932-7447

DOI
Catalytic reductive ring opening of epoxides enabled by zirconocene and photoredox catalysis

Aida, K; Hirao, M; Funabashi, A; Sugimura, N; Ota, E; Yamaguchi, J

CHEM 8 ( 6 ) 1762 - 1774 2022年06月09日

ISSN: 2451-9294

DOI
Revisiting Activity Tuning Using Lattice Strain: CO Decomposition in Terrace Ru(0001) and Stepped Ru(1015) Surfaces

De Chavez, D; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 22 ) 9324 - 9333 2022年06月09日

ISSN: 1932-7447

DOI
Role of Oxygen Vacancy in the Photocarrier Dynamics of WO3 Photocatalysts: The Case of Recombination Centers

Kato, K; Uemura, Y; Asakura, K; Yamakata, A

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 22 ) 9257 - 9263 2022年06月09日

ISSN: 1932-7447

DOI
Hygroscopicity and Ice Nucleation Properties of Dust/Salt Mixtures Originating from the Source of East Asian Dust Storms

Li, J; Liu, WY; Castarède, D; Gu, WJ; Li, LJ; Ohigashi, T; Zhang, GQ; Tang, MJ; Thomson, ES; Hallqu … 全著者表示

FRONTIERS IN ENVIRONMENTAL SCIENCE 10 2022年06月08日

DOI
Chiral Bioinspired Plasmonics: A Paradigm Shift for Optical Activity and Photochemistry

Avalos-Ovando, O; Santiago, EY; Movsesyan, A; Kong, XT; Yu, P; Besteiro, L; Khorashad, LK; Okamoto, … 全著者表示

ACS PHOTONICS 2022年06月07日

ISSN: 2330-4022

DOI
Ion-Pairing Assemblies of Anion-Responsive π-Electronic Systems Bearing Triazole Moieties Introduced by Click Chemistry

Maeda, H; Nishimura, T; Haketa, Y; Tanaka, H; Fujita, M; Yasuda, N

JOURNAL OF ORGANIC CHEMISTRY 87 ( 12 ) 2022年06月07日

ISSN: 0022-3263

DOI
Reversible and Stepwise Single-Crystal-to-Single-Crystal Transformation of a Platinum(II) Complex with Vapochromic Luminescence

Saito, D; Galica, T; Nishibori, E; Yoshida, M; Kobayashi, A; Kato, M

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 32 ) 2022年06月07日

ISSN: 0947-6539

DOI
Effects of vapor-liquid phase transitions on sound-wave propagation: A molecular dynamics study

Asano, Y; Watanabe, H; Noguchi, H

PHYSICAL REVIEW FLUIDS 7 ( 6 ) 2022年06月06日

ISSN: 2469-990X

DOI
Molecularly Designed Cluster-Surface Interaction for Halogen-like and Alkali-like Metal-Encapsulating Silicon Cage Superatoms on n-and p-Type Organic Substrates

Kamoshida, T; Shibuta, M; Ohta, T; Eguchi, T; Nakajima, A

JOURNAL OF PHYSICAL CHEMISTRY C 2022年06月03日

ISSN: 1932-7447

DOI
Polymer-Stabilized Au38 Cluster: Atomically Precise Synthesis by Digestive Ripening and Characterization of the Atomic Structure and Oxidation Catalysis

Hasegawa, S; Masuda, S; Takano, S; Harano, K; Tsukuda, T

ACS CATALYSIS 12 ( 11 ) 6550 - 6558 2022年06月03日

ISSN: 2155-5435

DOI
Synthesis of 3-Allylindoles via Annulation ofN-Allyl-2-ethynylanilineDerivatives Using a P,Olefin Type Ligand/Pd(0) Catalyst

Mino, T; Yamaoka, T; Watanabe, K; Masuda, C; Kasano, S; Yoshida, Y; Takita, R; Kasashima, Y; Sakamo … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 87 ( 11 ) 7365 - 7377 2022年06月03日

ISSN: 0022-3263

DOI
Transition-Metal-Free O-Arylation of Alcohols and Phenols withS-Arylphenothiaziniums

Yoshida, T; Honda, Y; Morofuji, T; Kano, N

JOURNAL OF ORGANIC CHEMISTRY 87 ( 11 ) 7565 - 7573 2022年06月03日

ISSN: 0022-3263

DOI
Characterization of epitaxial CVD graphene on Ir(111)/α-Al2O3(0001) by photoelectron momentum microscopy

Hashimoto, E; Tamura, K; Yamaguchi, H; Watanabe, T; Matsui, F; Koh, S

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( SD ) 2022年06月01日

ISSN: 0021-4922

DOI
Electron-donating curved π-electronic systems that complex with buckyballs

Maeda, H; Abiko, T; Haketa, Y; Kobayashi, Y; Ishibashi, Y; Asahi, T; Yasuda, N

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 21 ) 13286 - 13292 2022年06月01日

ISSN: 1463-9076

DOI
Experimental and Theoretical Investigation of MALDI In-Source Decay of Peptides with a Reducing Matrix: What Is the Initial Fragmentation Step?

Asakawa, D; Hosokai, T; Nakayama, Y

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 33 ( 6 ) 1011 - 1021 2022年06月01日

ISSN: 1044-0305

DOI
Influence of oxygen-related defects on the electronic structure of GaN

Ohata, S; Kawamura, T; Akiyama, T; Usami, S; Imanishi, M; Yoshimura, M; Mori, Y; Sumi, T; Takino, J

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( 6 ) 2022年06月01日

ISSN: 0021-4922

DOI
Structures and stability of GaN/Ga2O3 interfaces: a first-principles study

Hishiki, F; Akiyama, T; Kawamura, T; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( 6 ) 2022年06月01日

ISSN: 0021-4922

DOI
Synthesis and Strong π-π Interaction of Hexaazatriphenylene Derivatives with Alternating Electron-Withdrawing and -Donating Groups

Hinokimoto, A; Ono, T; Fujiwara, M; Mori, H; Akiyoshi, R; Nakamura, S; Tsutsumi, O; Saeki, A; Kitag … 全著者表示

CHEMISTRY-AN ASIAN JOURNAL 17 ( 11 ) 2022年06月01日

ISSN: 1861-4728

DOI
Cancer Malignancy Is Correlated with Upregulation of PCYT2-Mediated Glycerol Phosphate Modification of α-Dystroglycan

Umezawa, F; Natsume, M; Fukusada, S; Nakajima, K; Yamasaki, F; Kawashima, H; Kuo, CW; Khoo, KH; Shi … 全著者表示

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 23 ( 12 ) 2022年06月

ISSN: 1661-6596

DOI
Clay Column Chromatography for Optical Resolution: A Series of Derivatized Amino Acids

Yamagishi, A; Yamamoto, S; Takimoto, K; Tamura, K; Kamon, M; Sato, F; Sato, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 6 ) 961 - 967 2022年06月

ISSN: 0009-2673

DOI
DMSO-Quenched H/D-Exchange 2D NMR Spectroscopy and Its Applications in Protein Science

Kuwajima, K; Yagi-Utsumi, M; Yanaka, S; Kato, K

MOLECULES 27 ( 12 ) 2022年06月

DOI
Identification of distinct N-glycosylation patterns on extracellular vesicles from small-cell and non-small-cell lung cancer cells

Kondo, K; Harada, Y; Nakano, M; Suzuki, T; Fukushige, T; Hanzawa, K; Yagi, H; Takagi, K; Mizuno, K; … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 298 ( 6 ) 2022年06月

DOI
Insight into the Reactivity Profile of Solid-State Aryl Bromides in Suzuki-Miyaura Cross-Coupling Reactions Using Ball Milling

Kubota, K; Kondo, K; Seo, T; Ito, H

SYNLETT 33 ( 09 ) 898 - 902 2022年06月

ISSN: 0936-5214

DOI
Iridium-Catalyzed Single-Walled Carbon Nanotube Synthesis by Alcohol-Gas-Source Method Under Low Ethanol Pressure: Growth Temperature Dependence

Yamamoto, D; Karasawa, S; Sharma, KP; Saida, T; Naritsuka, S; Maruyama, T

CRYSTAL RESEARCH AND TECHNOLOGY 57 ( 6 ) 2022年06月

ISSN: 0232-1300

DOI
Location of two Mn2+ affinity sites in photosystem II detected by pulsed electron-electron double resonance

Mino, H; Asada, M

PHOTOSYNTHESIS RESEARCH 152 ( 3 ) 289 - 295 2022年06月

ISSN: 0166-8595

DOI
Optical Conductivity Spectra of Charge-Crystal and Charge-Glass States in a Series of θ-Type BEDT-TTF Compounds

Hashimoto, K; Kobayashi, R; Ohkura, S; Sasaki, S; Yoneyama, N; Suda, M; Yamamoto, HM; Sasaki, T

CRYSTALS 12 ( 6 ) 2022年06月

DOI
The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor

Varadwaj, A; Varadwaj, PR; Marques, HM; Yamashita, K

MOLECULES 27 ( 11 ) 2022年06月

DOI
Topological d-wave superconductivity in two dimensions

Yanase, Y; Daido, A; Takasan, K; Yoshida, T

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 140 2022年06月

ISSN: 1386-9477

DOI
Time-series transcriptomic screening of factors contributing to the cross-tolerance to UV radiation and anhydrobiosis in tardigrades

Yoshida, Y; Satoh, T; Ota, C; Tanaka, S; Horikawa, DD; Tomita, M; Kato, K; Arakawa, K

BMC GENOMICS 23 ( 1 ) 2022年05月28日

ISSN: 1471-2164

DOI
Organic Molecular Conductors Based on Tetramethyl-TTP: Structural and Electrical Properties Modulated by the Anion Size and Shape

Shirahata, T; Kohno, S; Furuta, K; Katayama, S; Suzuki, K; Kawamoto, T; Mori, T; Misaki, Y

INORGANIC CHEMISTRY 61 ( 20 ) 7754 - 7764 2022年05月23日

ISSN: 0020-1669

DOI
Iridium(III)-Catalyzed Asymmetric Site-Selective Carbene C-HInsertion during Late-Stage Transformation

Yamakawa, Y; Ikuta, T; Hayashi, H; Hashimoto, K; Fujii, R; Kawashima, K; Mori, S; Uchida, T; Katsuk … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 87 ( 10 ) 6769 - 6780 2022年05月20日

ISSN: 0022-3263

DOI
Nanoscale Heating of an Ultrathin Oxide Film Studied by Tip-Enhanced Raman Spectroscopy

Liu, SY; Wolf, M; Kumagai, T

PHYSICAL REVIEW LETTERS 128 ( 20 ) 2022年05月20日

ISSN: 0031-9007

DOI
Room-Temperature Reversible Chemisorption of Carbon Monoxide on Nickel(0) Complexes

Yamauchi, Y; Hoshimoto, Y; Kawakita, T; Kinoshita, T; Uetake, Y; Sakurai, H; Ogoshi, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 19 ) 8818 - 8826 2022年05月18日

ISSN: 0002-7863

DOI
In situ decomposition of bromine-substituted catechol to increase the activity of titanium dioxide catalyst for visible-light-induced aerobic conversion of toluene to benzaldehyde

Aitsuki, K; Fukushima, D; Nakahara, H; Yo, K; Kodera, M; Okunaka, S; Tokudome, H; Koitaya, T; Hitom … 全著者表示

NEW JOURNAL OF CHEMISTRY 46 ( 19 ) 9010 - 9016 2022年05月16日

ISSN: 1144-0546

DOI
Atom Swapping on Aromatic Rings: Conversion from Phosphinine Pincer Metal Complexes to Metallabenzenes Triggered by O2 Oxidation

Masada, K; Kusumoto, S; Nozaki, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 21 ) 2022年05月16日

DOI
Sterically Frustrated Aromatic Enes with Various Colors Originating from Multiple Folded and Twisted Conformations in Crystal Polymorphs

Nishiuchi, T; Aibara, S; Yamakado, T; Kimura, R; Saito, S; Sato, H; Kubo, T

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 28 ) 2022年05月16日

ISSN: 0947-6539

DOI
Local structures and dynamics of interfacial imidazolium-based ionic liquid depending on the electrode potential using electrochemical attenuated total reflectance ultraviolet spectroscopy

Imai, M; Tanabe, I; Sato, T; Fukui, KI

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 273 2022年05月15日

ISSN: 1386-1425

DOI
A Germanium Catalyst Accelerates the Photoredox α-C(sp3)-H Alkylation of Primary Amines

Sakai, K; Oisaki, K; Kanai, M

ORGANIC LETTERS 24 ( 18 ) 3325 - 3330 2022年05月13日

ISSN: 1523-7060

DOI
Control of perpendicular magnetic anisotropy at the Fe/MgO interface by phthalocyanine insertion

Sakamoto, S; Jackson, E; Kawabe, T; Tsukahara, T; Kotani, Y; Toyoki, K; Minamitani, E; Miura, Y; Na … 全著者表示

PHYSICAL REVIEW B 105 ( 18 ) 2022年05月13日

ISSN: 2469-9950

DOI
Magnetic field and pressure phase diagrams of the triangular-lattice antiferromagnet CsCuCl3 explored via magnetic susceptibility measurements with a proximity-detector oscillator

Nihongi, K; Kida, T; Narumi, Y; Zaccaro, J; Kousaka, Y; Inoue, K; Kindo, K; Uwatoko, Y; Hagiwara, M

PHYSICAL REVIEW B 105 ( 18 ) 2022年05月13日

ISSN: 2469-9950

DOI
Ultrafast water permeation through nanochannels with a densely fluorous interior surface

Itoh, Y; Chen, S; Hirahara, R; Konda, T; Aoki, T; Ueda, T; Shimada, I; Cannon, JJ; Shao, C; Shiomi, … 全著者表示

SCIENCE 376 ( 6594 ) 738 - + 2022年05月13日

ISSN: 0036-8075

DOI
Hidden Heterometallic Interaction Emerging from Resonant Inelastic X-ray Scattering in Luminescent Tb-Pt Molecules

Yoshida, T; Shabana, A; Izuogu, DC; Fuku, K; Sato, T; Zhang, HT; Yamamoto, Y; Kamata, J; Ohmagari, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 18 ) 7973 - 7979 2022年05月12日

ISSN: 1932-7447

DOI
Chirality-induced spin filtering in pseudo Jahn-Teller molecules

Kato, A; Yamamoto, HM; Kishine, JI

PHYSICAL REVIEW B 105 ( 19 ) 2022年05月11日

ISSN: 2469-9950

DOI
Excited state dynamics of protonated dopamine: hydration and conformation effects

Hirata, K; Kasai, KI; Yoshizawa, K; Grégoire, G; Ishiuchi, SI; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 18 ) 10737 - 10744 2022年05月11日

ISSN: 1463-9076

DOI
Spin accumulation without spin current

Shitade, A; Tatara, G

PHYSICAL REVIEW B 105 ( 20 ) 2022年05月11日

ISSN: 2469-9950

DOI
Structural assignments of yttrium oxide cluster cations studied by ion mobility mass spectrometry

Misao, Y; Nagata, T; Nakano, M; Ohshimo, K; Misaizu, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 18 ) 11096 - 11103 2022年05月11日

ISSN: 1463-9076

DOI
Comparison of the charge-crystal and charge-glass state in geometrically frustrated organic conductors studied by fluctuation spectroscopy

Thomas, T; Thyzel, T; Sun, HW; Müller, J; Hashimoto, K; Sasaki, T; Yamamoto, HM

PHYSICAL REVIEW B 105 ( 20 ) 2022年05月10日

ISSN: 2469-9950

DOI
Controlled/Living Cationic Polymerization of p-Methoxystyrene Using Tellurium-Based Chalcogen Bonding Catalyst-Discovery of a New Water-Tolerant Lewis Acid Catalyst

Takagi, K; Sakakibara, N; Hasegawa, T; Hayashi, S

MACROMOLECULES 55 ( 9 ) 3671 - 3680 2022年05月10日

ISSN: 0024-9297

DOI
Regulation mechanisms of the dual ATPase in KaiC

Furuike, Y; Mukaiyama, A; Koda, SI; Simon, D; Ouyang, DY; Ito-Miwa, K; Saito, S; Yamashita, E; Nish … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 119 ( 19 ) 2022年05月10日

ISSN: 0027-8424

DOI
SPICA Force Field for Proteins and Peptides

Kawamoto, S; Liu, HH; Miyazaki, Y; Seo, S; Dixit, M; DeVane, R; MacDermaid, C; Fiorin, G; Klein, ML … 全著者表示

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 18 ( 5 ) 3204 - 3217 2022年05月10日

ISSN: 1549-9618

DOI
Cationic and Neutral Iridium(III) Hydride Complexes Supported by a Rigid, Bidentate Boryl/Phosphine Ligand

Seidel, FW; Nozaki, K

ORGANOMETALLICS 41 ( 9 ) 1063 - 1066 2022年05月09日

ISSN: 0276-7333

DOI
Sequential Pressure-Induced B1-B2 Transitions in the Anion-Ordered Oxyhydride Ba2YHO3

Morgan, HWT; Yamamoto, T; Nishikubo, T; Ohmi, T; Koike, T; Sakai, Y; Azuma, M; Ishii, H; Kobayashi, … 全著者表示

INORGANIC CHEMISTRY 61 ( 18 ) 7043 - 7050 2022年05月09日

ISSN: 0020-1669

DOI
Observation of bands with dxy orbital character near the Fermi level in NdFeAs1-xPxO0.9F0.1 using angle-resolved photoemission spectroscopy

Tin, ZH; Adachi, T; Takemori, A; Yoshino, K; Katayama, N; Miyasaka, S; Ideta, S; Tanaka, K; Tajima, … 全著者表示

PHYSICAL REVIEW B 105 ( 20 ) 2022年05月06日

ISSN: 2469-9950

DOI
Theoretical Insight into Catalysis of the Aluminabenzene-Iridium Complex for C(sp3)-H Borylation of NEt3: How to Control α- and β-Regioselectivities?

Zhong, RL; Suzuki, K; Yamashita, M; Sakaki, S

ACS CATALYSIS 12 ( 9 ) 4880 - 4897 2022年05月06日

ISSN: 2155-5435

DOI
Dependence of Vibrational Energy Transfer on Distance in a Four-Helix Bundle Protein: Equidistant Increments with the Periodicity of α Helices

Yamashita, S; Mizuno, M; Takemura, K; Kitao, A; Mizutani, Y

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 17 ) 3283 - 3290 2022年05月05日

ISSN: 1520-6106

DOI
Molecular clustering behaviour in the cybotactic nematic phase of a spin-labelled liquid crystal

Uchida, Y; Akita, T; Hanada, K; Kiyohara, D; Nishiyama, N

JOURNAL OF MATERIALS CHEMISTRY C 10 ( 17 ) 6621 - 6627 2022年05月05日

ISSN: 2050-7526

DOI
Role of Hydration in Photoexcited Electron Transfer between a Gold Nanocluster and a Water Molecule

Iida, K

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 17 ) 7492 - 7499 2022年05月05日

ISSN: 1932-7447

DOI
Investigation into activation of accelerators at various synchrotron radiation facilities in Japan

Yoshida, G; Matsumura, H; Masumoto, K; Nakamura, H; Toyoda, A; Nobuhara, F; Iwai, S; Nishikawa, K; … 全著者表示

JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY 59 ( 5 ) 543 - 554 2022年05月04日

ISSN: 0022-3131

DOI
Single atom alloys vs. phase separated alloys in Cu, Ag, and Au atoms with Ni(111) and Ni, Pd, and Pt atoms with Cu(111): a theoretical exploration

Yin, JQ; Ehara, M; Sakaki, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 17 ) 10420 - 10438 2022年05月04日

ISSN: 1463-9076

DOI
Partial cation disorder in Li2MnO3 obtained by high-pressure synthesis

Abulikemu, A; Gao, SH; Matsunaga, T; Takatsu, H; Tassel, C; Kageyama, H; Saito, T; Watanabe, T; Uch … 全著者表示

APPLIED PHYSICS LETTERS 120 ( 18 ) 2022年05月02日

ISSN: 0003-6951

DOI
An ab initio-based approach for the formation of pyramidal inversion domain boundaries in highly Mg-doped GaN

Niki, K; Akiyama, T; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( 5 ) 2022年05月01日

ISSN: 0021-4922

DOI
Crystal structural analysis of aldoxime dehydratase from Bacillus sp. OxB-1: Importance of surface residues in optimization for crystallization

Matsui, D; Muraki, N; Chen, K; Mori, T; Ingram, AA; Oike, K; Gröger, H; Aono, S; Asano, Y

JOURNAL OF INORGANIC BIOCHEMISTRY 230 2022年05月

ISSN: 0162-0134

DOI
Multiple protonation states in ligand-free SARS-CoV-2 main protease revealed by large-scale quantum molecular dynamics simulations

Ono, J; Koshimizu, U; Fukunishi, Y; Nakai, H

CHEMICAL PHYSICS LETTERS 794 2022年05月

ISSN: 0009-2614

DOI
Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space

Tsutsumi, T; Ono, Y; Taketsugu, T

TOPICS IN CURRENT CHEMISTRY 380 ( 3 ) 2022年05月

ISSN: 2365-0869

DOI
Relationship between local coordinates and thermal conductivity in amorphous carbon

Minamitani, E; Shiga, T; Kashiwagi, M; Obayashi, I

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 40 ( 3 ) 2022年05月

ISSN: 0734-2101

DOI
Structures of dibenzo-24-crown-8 complex with an NH4+ ion studied by cryogenic ion mobility-mass spectrometry

Ito, R; Ohshimo, K; Misaizu, F

CHEMICAL PHYSICS LETTERS 794 2022年05月

ISSN: 0009-2614

DOI
The Stibium Bond or the Antimony-Centered Pnictogen Bond: The Covalently Bound Antimony Atom in Molecular Entities in Crystal Lattices as a Pnictogen Bond Donor

Varadwaj, A; Varadwaj, PR; Marques, HM; Yamashita, K

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 23 ( 9 ) 2022年05月

DOI
Computational Study on the Thermal Conductivity of a Protein

Yamato, T; Wang, TT; Sugiura, W; Laprévote, O; Katagiri, T

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 16 ) 3029 - 3036 2022年04月28日

ISSN: 1520-6106

DOI
n;orcid.org/; Email:Authors

Imamura, K; Higashi, M; Kobayashi, Y; Kageyama, H; Sato, H

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 16 ) 3090 - 3098 2022年04月28日

ISSN: 1520-6106

DOI
Supramolecular Polymerization of a Photo-Fluttering Chiral Monomer: A Temporarily Suspendable Chain Growth by Light

Aoki, T; Ueda, M; Aida, T; Itoh, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 16 ) 7080 - 7084 2022年04月27日

ISSN: 0002-7863

DOI
Synthesis of π-Extended Thiele's and Chichibabin's Hydrocarbons and Effect of the π-Congestion on Conformations and Electronic States

Nishiuchi, T; Aibara, S; Sato, H; Kubo, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 16 ) 7479 - 7488 2022年04月27日

ISSN: 0002-7863

DOI
The initial charge separation step in oxygenic photosynthesis

Yoneda, Y; Arsenault, EA; Yang, S; Orcutt, K; Iwai, M; Fleming, GR

NATURE COMMUNICATIONS 13 ( 1 ) 2022年04月27日

DOI
Low-Barrier Hydrogen Bond in Fujikurin A-D: A Computational Study

Tanaka, H; Kuwahata, K; Tachikawa, M; Udagawa, T

ACS OMEGA 7 ( 16 ) 14244 - 14251 2022年04月26日

ISSN: 2470-1343

DOI
Visible light-driven CO2 reduction with a Ru polypyridyl complex bearing an N-heterocyclic carbene moiety

Watanabe, T; Saga, Y; Kosugi, K; Iwami, H; Kondo, M; Masaoka, S

CHEMICAL COMMUNICATIONS 58 ( 34 ) 5229 - 5232 2022年04月26日

ISSN: 1359-7345

DOI
Fabrication of (Bi2)m(Bi2Te3)n superlattice films by Te desorption from a pristine Bi2Te3 film

Kusaka, S; Sasaki, TT; Sumida, K; Ichinokura, S; Ideta, S; Tanaka, K; Hono, K; Hirahara, T

APPLIED PHYSICS LETTERS 120 ( 17 ) 2022年04月25日

ISSN: 0003-6951

DOI
Boundary effects and quadrupole contribution in sum frequency generation spectroscopy

Hirano, T; Morita, A

JOURNAL OF CHEMICAL PHYSICS 156 ( 15 ) 2022年04月21日

ISSN: 0021-9606

DOI
Dynamic Monte Carlo calculation generating particle trajectories that satisfy the diffusion equation for heterogeneous systems with a position-dependent diffusion coefficient and free energy

Nagai, T; Yoshimori, A; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 156 ( 15 ) 2022年04月21日

ISSN: 0021-9606

DOI
Explaining reaction coordinates of alanine dipeptide isomerization obtained from deep neural networks using Explainable Artificial Intelligence (XAI)

Kikutsuji, T; Mori, Y; Okazaki, K; Mori, T; Kim, K; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 156 ( 15 ) 2022年04月21日

ISSN: 0021-9606

DOI
Observing the orbital angular momentum of Fe and Co in chiral magnet Fe0.75Co0.25Si using soft x-ray magnetic circular dichroism

Mito, M; Ohkuma, M; Tajiri, T; Kousaka, Y; Akimitsu, J; Inoue, K; Amamiya, K

JOURNAL OF APPLIED PHYSICS 131 ( 15 ) 2022年04月21日

ISSN: 0021-8979

DOI
A photochromic carbazolyl-imidazolyl radical complex

Kawanishi, Y; Segawa, Y; Mutoh, K; Abe, J; Kobayashi, Y

CHEMICAL COMMUNICATIONS 58 ( 32 ) 4997 - 5000 2022年04月19日

ISSN: 1359-7345

DOI
Catalytic aerobic photooxidation of triarylphosphines using dibenzo-fused 1,4-azaborines

Kondo, M; Agou, T

CHEMICAL COMMUNICATIONS 58 ( 32 ) 5001 - 5004 2022年04月19日

ISSN: 1359-7345

DOI
Thermally activated delayed fluorescence of carbazole-benzophenone dendrimers with bulky substituents

Albrecht, K; Hisamura, E; Furukori, M; Nakayama, Y; Hosokai, T; Nakao, K; Ikebe, H; Nakayama, A

POLYMER CHEMISTRY 13 ( 16 ) 2277 - 2284 2022年04月19日

ISSN: 1759-9954

DOI
Dimerization of Paramagnetic Trinuclear Complexes byCoordination Geometry Changes Showing Mixed Valency andSignificant Antiferromagnetic Coupling through-Pt•••Pt-Bonds

Takamori, A; Uemura, K

INORGANIC CHEMISTRY 61 ( 15 ) 5762 - 5778 2022年04月18日

ISSN: 0020-1669

DOI
Local spectroscopic imaging of a single quantum dot in photoinduced force microscopy

Yamanishi, J; Yamane, H; Naitoh, Y; Li, YJ; Sugawara, Y

APPLIED PHYSICS LETTERS 120 ( 16 ) 2022年04月18日

ISSN: 0003-6951

DOI
Relative energies among S3 intermediates in the photosystem II revealed by DLPNO coupled cluster and hybrid DFT calculations. Possible pathways of water insertion in the S2 to S3 transition

Miyagawa, K; Shoji, M; Isobe, H; Kawakami, T; Nakajima, T; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 793 2022年04月16日

ISSN: 0009-2614

DOI
Amplification of weak chiral inductions for excellent control over the helical orientation of discrete topologically chiral (M3L2)n polyhedra

Domoto, Y; Yamamoto, K; Horie, S; Yu, ZS; Fujita, M

CHEMICAL SCIENCE 13 ( 15 ) 4372 - 4376 2022年04月13日

ISSN: 2041-6520

DOI
Identification of a Self-Photosensitizing Hydrogen Atom Transfer Organocatalyst System

Fuse, H; Irie, Y; Fuki, M; Kobori, Y; Kato, K; Yamakata, A; Higashi, M; Mitsunuma, H; Kanai, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 14 ) 6566 - 6574 2022年04月13日

ISSN: 0002-7863

DOI
Why the Photochemical Reaction of Phenol Becomes Ultrafast at the Air-Water Interface: The Effect of Surface Hydration

Ishiyama, T; Tahara, T; Morita, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 14 ) 6321 - 6325 2022年04月13日

ISSN: 0002-7863

DOI
Metal-free C(aryl)-P bond cleavage: experimental and computational studies of the Michael addition/aryl migration of triarylphosphines to alkynyl esters

Sako, M; Kanomata, K; Salem, MSH; Furukawa, T; Sasai, H; Takizawa, S

ORGANIC CHEMISTRY FRONTIERS 9 ( 8 ) 2187 - 2192 2022年04月12日

ISSN: 2052-4129

DOI
Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene

Ueda, M; Mazaki, Y

RSC ADVANCES 12 ( 18 ) 10870 - 10874 2022年04月07日

DOI
Topological gapless points in superconductors: From the viewpoint of symmetry

Sumita, S; Yanase, Y

PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS 2022 ( 4 ) 2022年04月07日

ISSN: 2050-3911

DOI
Cross-scale analysis of temperature compensation in the cyanobacterial circadian clock system

Furuike, Y; Ouyang, DY; Tominaga, T; Matsuo, T; Mukaiyama, A; Kawakita, Y; Fujiwara, S; Akiyama, S

COMMUNICATIONS PHYSICS 5 ( 1 ) 2022年04月04日

ISSN: 2399-3650

DOI
Synthesis of Cyclophenacene- and Chiral-Type Cyclophenylene-Naphthylene Belts

Nogami, J; Nagashima, Y; Sugiyama, H; Miyamoto, K; Tanaka, Y; Uekusa, H; Muranaka, A; Uchiyama, M; … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 15 ) 2022年04月04日

ISSN: 1433-7851

DOI
Axial-ligand-cleavable silicon phthalocyanines triggered by near-infrared light toward design of photosensitizers for photoimmunotherapy

Takakura, H; Matsuhiro, S; Kobayashi, M; Goto, Y; Harada, M; Taketsugu, T; Ogawa, M

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 426 2022年04月01日

ISSN: 1010-6030

DOI
Intramolecular Hydrogen Atom Transfer Hydroarylation of Alkenes toward δ-Lactams Using Cobalt-Photoredox Dual Catalysis

Yamaguchi, Y; Seino, Y; Suzuki, A; Kamei, Y; Yoshino, T; Kojima, M; Matsunaga, S

ORGANIC LETTERS 24 ( 12 ) 2441 - 2445 2022年04月01日

ISSN: 1523-7060

DOI
Microscopic observation of efficient intergrain charge transport processes in organic transistors of semicrystalline poly(3-hexylthiophene)

Kuroda, S; Tanaka, H; Shimoi, Y

APPLIED PHYSICS EXPRESS 15 ( 4 ) 2022年04月01日

ISSN: 1882-0778

DOI
New magnetic intermediate state, "B-phase," in the cubic chiral magnet MnSi

Ohkuma, M; Mito, M; Pardo, M; Kousaka, Y; Iwasaki, S; Ohishi, K; Akimitsu, J; Inoue, K; Laliena, V; … 全著者表示

APL MATERIALS 10 ( 4 ) 2022年04月01日

ISSN: 2166-532X

DOI
Photoinduced transient states of antiferromagnetic orderings in La1/3Sr2/3FeO3 and SrFeO3-δ thin films observed through time-resolved resonant soft x-ray scattering

Yamamoto, K; Tsuyama, T; Ito, S; Takubo, K; Matsuda, I; Pontius, N; Schüssler-Langeheine, C; Minoha … 全著者表示

NEW JOURNAL OF PHYSICS 24 ( 4 ) 2022年04月01日

ISSN: 1367-2630

DOI
1,2-Rearrangement from o-Quinols to Multisubstituted Catechols via Retro Diels-Alder Reaction of o-Quinol Dimers

Hashimoto, R; Hanaya, K; Sugai, T; Higashibayashi, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 4 ) 663 - 672 2022年04月

ISSN: 0009-2673

DOI
A Trade-off Between Thermostability and Binding Affinity of Anti-(4-hydroxy-3-nitrophenyl)Acetyl Antibodies During the Course of Affinity Maturation

Nishiguchi, A; Murakami, A; Azuma, T; Oda, M

PROTEIN JOURNAL 41 ( 2 ) 293 - 303 2022年04月

ISSN: 1572-3887

DOI
Chalcogenacalix[4]dithienoselenophene: Synthesis and Properties of Cyclic Thio- and Selenoether of Dithienoselenophene

Hasegawa, M; Takahashi, K; Mazaki, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 4 ) 628 - 633 2022年04月

ISSN: 0009-2673

DOI
Elucidation of master allostery essential for circadian clock oscillation in cyanobacteria

Furuike, Y; Mukaiyama, A; Ouyang, DY; Ito-Miwa, K; Simon, D; Yamashita, E; Kondo, T; Akiyama, S

SCIENCE ADVANCES 8 ( 15 ) 2022年04月

ISSN: 2375-2548

DOI
Glutamine-free mammalian expression of recombinant glycoproteins with uniform isotope labeling: an application for NMR analysis of pharmaceutically relevant Fc glycoforms of human immunoglobulin G1

Yanaka, S; Yagi, H; Yogo, R; Onitsuka, M; Kato, K

JOURNAL OF BIOMOLECULAR NMR 76 ( 1-2 ) 17 - 22 2022年04月

ISSN: 0925-2738

DOI
Lanostane triterpenoids from cultivated fruiting bodies of basidiomycete Ganoderma mbrekobenum

Yangchum, A; Fujii, R; Choowong, W; Rachtawee, P; Pobkwamsuk, M; Boonpratuang, T; Mori, S; Isaka, M

PHYTOCHEMISTRY 196 2022年04月

ISSN: 0031-9422

DOI
Optical characteristics of Tl+ centers in CsCaCl3, KCaCl3, and CsCl crystals

Kubota, K; Kawai, T

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 163 2022年04月

ISSN: 0022-3697

DOI
Synthesis of 1H-2-Benzopyran-5,8-dione Skeleton through a Cascade Reaction between Benzoquinone and β-Ketoester

Nakahara, M; Ohtsu, H; Kawano, M; Hanaya, K; Sugai, T; Higashibayashi, S

CHEMISTRY LETTERS 51 ( 4 ) 356 - 359 2022年04月

ISSN: 0366-7022

DOI
Thermo- and Mechano-Triggered Luminescence ON/OFF Switching by Supercooled Liquid/Crystal Transition of Platinum(II) Complex Thin Films

Yoshida, M; Sääsk, V; Saito, D; Yoshimura, N; Takayama, J; Hiura, S; Murayama, A; Pohako-Esko, K; K … 全著者表示

ADVANCED OPTICAL MATERIALS 10 ( 7 ) 2022年04月

ISSN: 2195-1071

DOI
Time-Domain Eddy Current and Wake Fields Analysis of Pulsed Multipole Magnet Beam Injector in Synchrotron Radiation Ring

Kawaguchi, H; Muramatsu, T; Katoh, M; Hosaka, M; Takashima, Y

IEICE TRANSACTIONS ON ELECTRONICS E105C ( 4 ) 146 - 153 2022年04月

ISSN: 0916-8524

DOI
Orbital-resolved visualization of single-molecule photocurrent channels

Imai-Imada, M; Imada, H; Miwa, K; Tanaka, Y; Kimura, K; Zoh, I; Jaculbia, RB; Yoshino, H; Muranaka, … 全著者表示

NATURE 603 ( 7903 ) 829 - + 2022年03月31日

ISSN: 0028-0836

DOI
Zooming in on the initial steps of catalytic NO reduction using metal clusters

Bakker, JM; Mafuné, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 13 ) 7595 - 7610 2022年03月30日

ISSN: 1463-9076

DOI
Interface Behavior of Electrolyte/Quinone Organic Active Material in Battery Operation by Operando Surface-Enhanced Raman Spectroscopy

Morino, Y; Fukui, KI

LANGMUIR 38 ( 12 ) 3951 - 3958 2022年03月29日

ISSN: 0743-7463

DOI
Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion

Kishino, M; Takaoka, S; Shibutani, Y; Kusumoto, S; Nozaki, K

DALTON TRANSACTIONS 51 ( 13 ) 5009 - 5015 2022年03月29日

ISSN: 1477-9226

DOI
Excited states of chlorophyll a and b in solution by time-dependent density functional theory

Zhu, Z; Higashi, M; Saito, S

JOURNAL OF CHEMICAL PHYSICS 156 ( 12 ) 2022年03月28日

ISSN: 0021-9606

DOI
Oligo(N-methylalanine) as a Peptide-Based Molecular Scaffold with a Minimal Structure and High Density of Functionalizable Sites

Yokomine, M; Morimoto, J; Fukuda, Y; Shiratori, Y; Kuroda, D; Ueda, T; Takeuchi, K; Tsumoto, K; San … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 14 ) 2022年03月28日

ISSN: 1433-7851

DOI
Regioselective Deaminative Allylation of Aliphatic Amines via Dual Cobalt and Organophotoredox Catalysis

Sekino, T; Sato, S; Yoshino, T; Kojima, M; Matsunaga, S

ORGANIC LETTERS 24 ( 11 ) 2120 - 2124 2022年03月25日

ISSN: 1523-7060

DOI
Ultrafast Nanocrystallization of BaF2 in Oxyfluoride Glasses with Crystal-like Nanostructures: Implications for Upconversion Fiber Devices

Shinozaki, K; Ishii, Y; Sukenaga, S; Ohara, K

ACS APPLIED NANO MATERIALS 5 ( 3 ) 4281 - 4292 2022年03月25日

DOI
Limited solvation of an electron donating tryptophan stabilizes a photoinduced charge-separated state in plant (6-4) photolyase

Hosokawa, Y; Müller, P; Kitoh-Nishioka, H; Iwai, S; Yamamoto, J

SCIENTIFIC REPORTS 12 ( 1 ) 2022年03月24日

ISSN: 2045-2322

DOI
Bulk and surface electronic structure of Bi4Te3 from GW calculations and photoemission experiments

Nabok, D; Tas, M; Kusaka, S; Durgun, E; Friedrich, C; Bihlmayer, G; Blügel, S; Hirahara, T; Aguiler … 全著者表示

PHYSICAL REVIEW MATERIALS 6 ( 3 ) 2022年03月23日

ISSN: 2475-9953

DOI
Charge Transfer-Mediated Dramatic Enhancement of Raman Scattering upon Molecular Point Contact Formation

Cirera, B; Litman, Y; Lin, CF; Akkoush, A; Hammud, A; Wolf, M; Rossi, M; Kumagai, T

NANO LETTERS 22 ( 6 ) 2170 - 2176 2022年03月23日

ISSN: 1530-6984

DOI
Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution

Abe, R; Tsuchido, Y; Ide, T; Koizumi, TA; Osakada, K

ACS OMEGA 7 ( 11 ) 9594 - 9601 2022年03月22日

ISSN: 2470-1343

DOI
Higher-order transition state approximation

Nakajima, T; Hirao, K; Chan, B

JOURNAL OF CHEMICAL PHYSICS 156 ( 11 ) 2022年03月21日

ISSN: 0021-9606

DOI
Importance of dynamical electron correlation in diabatic couplings of electron-exchange processes

Nishio, S; Kurashige, Y

JOURNAL OF CHEMICAL PHYSICS 156 ( 11 ) 2022年03月21日

ISSN: 0021-9606

DOI
Integrated Experimental and Computational Studies on the Organocatalytic Kinetic Resolution of β-Unfunctionalized Primary Alcohols Using a Chiral 1,2-Diamine: The Importance of Noncovalent Interactions

Sakai, N; Ojima, K; Mori, S; Oriyama, T

JOURNAL OF ORGANIC CHEMISTRY 87 ( 6 ) 4468 - 4475 2022年03月18日

ISSN: 0022-3263

DOI
Nonreciprocal Meissner response in parity-mixed superconductors

Watanabe, H; Daido, A; Yanase, Y

PHYSICAL REVIEW B 105 ( 10 ) 2022年03月17日

ISSN: 2469-9950

DOI
Photochemical Reaction of Ketoprofen with Proteinogenic Amino Acids

Kashihara, W; Shinoda, M; Tsuchiya, K; Isozaki, T; Mijiddorj, B; Ueda, K; Suzuki, T

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 10 ) 2098 - 2107 2022年03月17日

ISSN: 1520-6106

DOI
QM/MM Molecular Dynamics Simulations Revealed Catalytic Mechanism of Urease

Saito, T; Takano, Y

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 10 ) 2087 - 2097 2022年03月17日

ISSN: 1520-6106

DOI
A Tetraorganyl-Alumaborane with An Al-B σ-Bond and Two Adjacent Lewis-Acidic Centers

Kurumada, S; Yamashita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 10 ) 4327 - 4332 2022年03月16日

ISSN: 0002-7863

DOI
Hydrophobic association and solvation of neopentane in urea, TMAO and urea-TMAO solutions

Hajari, T; Dixit, M; Yadav, HOS

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 11 ) 6941 - 6957 2022年03月16日

ISSN: 1463-9076

DOI
Enhancements of Superconductivity and Insulating Electrical Resistivity under the Same Uniaxial Strain in a Molecular Conductor

Okii, Y; Yamamoto, T; Naito, T; Konishi, K; Akutsu, H; Nakazawa, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 91 ( 3 ) 2022年03月15日

ISSN: 0031-9015

DOI
Cleavage of Si-H and Si-C Bonds by Metal-Ligand Cooperation: Formation of Silyl Anion and Silylene Equivalents from Tertiary Silanes

Higashi, T; Kusumoto, S; Nozaki, K

ORGANOMETALLICS 41 ( 5 ) 659 - 665 2022年03月14日

ISSN: 0276-7333

DOI
Collective bath coordinate mapping of "hierarchy" in hierarchical equations of motion

Ikeda, T; Nakayama, A

JOURNAL OF CHEMICAL PHYSICS 156 ( 10 ) 2022年03月14日

ISSN: 0021-9606

DOI
Dissociation Pathways of the p53 DNA Binding Domain from DNA and Critical Roles of Key Residues Elucidated by dPaCS-MD/MSM

Sobeh, MM; Kitao, A

JOURNAL OF CHEMICAL INFORMATION AND MODELING 62 ( 5 ) 1294 - 1307 2022年03月14日

ISSN: 1549-9596

DOI
Hybrid Monte Carlo method with potential scaling for sampling from the canonical multimodal distribution and imitating the relaxation process

Inagaki, T; Saito, S

JOURNAL OF CHEMICAL PHYSICS 156 ( 10 ) 2022年03月14日

ISSN: 0021-9606

DOI
Hybrid QM/MM Free-Energy Evaluation of Drug-Resistant Mutational Effect on the Binding of an Inhibitor Indinavir to HIV-1 Protease

Taguchi, M; Oyama, R; Kaneso, M; Hayashi, S

JOURNAL OF CHEMICAL INFORMATION AND MODELING 62 ( 5 ) 1328 - 1344 2022年03月14日

ISSN: 1549-9596

DOI
A dicyanomethyl radical stabilized by ferrocene: a new building block for radical-based dynamic covalent chemistry with redox activity

Ishimoto, M; Sakamaki, D; Fujiwara, H

CHEMICAL COMMUNICATIONS 58 ( 21 ) 3553 - 3556 2022年03月10日

ISSN: 1359-7345

DOI
Overall structure of fully assembled cyanobacterial KaiABC circadian clock complex by an integrated experimental-computational approach

Yunoki, Y; Matsumoto, A; Morishima, K; Martel, A; Porcar, L; Sato, N; Yogo, R; Tominaga, T; Inoue, … 全著者表示

COMMUNICATIONS BIOLOGY 5 ( 1 ) 2022年03月10日

DOI
Collision-assisted stripping for determination of microsolvation-dependent protonation sites in hydrated clusters by cryogenic ion trap infrared spectroscopy: the case of benzocaineH+(H2O)n

Hirata, K; Haddad, F; Dopfer, O; Ishiuchi, S; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 10 ) 5774 - 5779 2022年03月09日

ISSN: 1463-9076

DOI
Cu/N-Oxyl-catalyzed aerobic oxidative esterification to oxalic acid diesters from ethylene glycol via highly selective intermolecular alcohol oxidation

Morino, Y; Yatabe, T; Suzuki, K; Yamaguchi, K

GREEN CHEMISTRY 24 ( 5 ) 2017 - 2026 2022年03月09日

ISSN: 1463-9262

DOI
Gas phase protonated nicotine is a mixture of pyridine- and pyrrolidine-protonated conformers: implications for its native structure in the nicotinic acetylcholine receptor

Takeda, N; Hirata, K; Tsuruta, K; Santis, GD; Xantheas, SS; Ishiuchi, S; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 10 ) 5786 - 5793 2022年03月09日

ISSN: 1463-9076

DOI
Inhibition of the hexamerization of SARS-CoV-2 endoribonuclease and modeling of RNA structures bound to the hexamer

Tran, DP; Taira, Y; Ogawa, T; Misu, R; Miyazawa, Y; Kitao, A

SCIENTIFIC REPORTS 12 ( 1 ) 2022年03月09日

ISSN: 2045-2322

DOI
Insights into the carbonate effect on water oxidation over metal oxide photocatalysts/photoanodes

Kusama, H; Kodera, M; Yamashita, K; Sayama, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 10 ) 5894 - 5902 2022年03月09日

ISSN: 1463-9076

DOI
Mechanistic Details of Asymmetric Bromocyclization with BINAP Monoxide: Identification of Chiral Proton-Bridged Bisphosphine Oxide Complex and Its Application to Parallel Kinetic Resolution

Yamashita, K; Hirokawa, R; Ichikawa, M; Hisanaga, T; Nagao, Y; Takita, R; Watanabe, K; Kawato, Y; H … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 9 ) 3913 - 3924 2022年03月09日

ISSN: 0002-7863

DOI
Synthesis and photophysical properties of a new push-pull pyrene dye with green-to-far-red emission and its application to human cellular and skin tissue imaging

Inoue, K; Kawakami, R; Murakami, M; Nakayama, T; Yamamoto, S; Inoue, K; Tsuda, T; Sayama, K; Imamur … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY B 10 ( 10 ) 1641 - 1649 2022年03月09日

ISSN: 2050-750X

DOI
Synthesis, properties and chemical modification of a persistent triisopropylsilylethynyl substituted tri(9-anthryl)methyl radical

Nishiuchi, T; Ishii, D; Aibara, S; Sato, H; Kubo, T

CHEMICAL COMMUNICATIONS 58 ( 20 ) 3306 - 3309 2022年03月08日

ISSN: 1359-7345

DOI
Enhanced oxygen reduction activity of size-selected platinum subnanocluster catalysts: Ptn (n=3-9)

Ohnuma, A; Takahashi, K; Tsunoyama, H; Inoue, T; Zhao, P; Velloth, A; Ehara, M; Ichikuni, N; Tabuch … 全著者表示

CATALYSIS SCIENCE & TECHNOLOGY 12 ( 5 ) 1400 - 1407 2022年03月07日

ISSN: 2044-4753

DOI
Structures, atomic charges, emission properties and DFT studies of biquinoline derivatives induced by protonation of a nitrogen atom

Yoshikawa, N; Yamazaki, S; Nishiyama, A; Yamashita, Y; Kanehisa, N; Tohnai, N; Nakata, E; Takashima … 全著者表示

JOURNAL OF MOLECULAR STRUCTURE 1251 2022年03月05日

ISSN: 0022-2860

DOI
Large anomalous Hall effect induced by weak ferromagnetism in the noncentrosymmetric antiferromagnet CoNb3S6

Tanaka, H; Okazaki, S; Kuroda, K; Noguchi, R; Arai, Y; Minami, S; Ideta, S; Tanaka, K; Lu, DH; Hash … 全著者表示

PHYSICAL REVIEW B 105 ( 12 ) 2022年03月04日

ISSN: 2469-9950

DOI
Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo-Manganese(V) Porphyrin Complexes

Ma, ZF; Nakatani, N; Hada, M

CHEMPHYSCHEM 23 ( 5 ) 2022年03月04日

ISSN: 1439-4235

DOI
Moderately Oxidizing Thioxanthylium Organophotoredox Catalysts for Radical-Cation Diels-Alder Reactions

Tanaka, K; Kishimoto, M; Tanaka, Y; Kamiyama, Y; Asada, Y; Sukekawa, M; Ohtsuka, N; Suzuki, T; Momi … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 87 ( 5 ) 3319 - 3328 2022年03月04日

ISSN: 0022-3263

DOI
Synthesis of the C70 Fragment Buckybowl, Homosumanene, and Heterahomosumanenes via Ring-Expansion Reactions from Sumanenone

Nishimoto, M; Uetake, Y; Yakiyama, Y; Ishiwari, F; Saeki, A; Sakurai, H

JOURNAL OF ORGANIC CHEMISTRY 87 ( 5 ) 2508 - 2519 2022年03月04日

ISSN: 0022-3263

DOI
Bis-periazulene (Cyclohepta[def]fluorene) as a Nonalternant Isomer of Pyrene: Synthesis and Characterization of Its Triaryl Derivatives

Horii, K; Kishi, R; Nakano, M; Shiomi, D; Sato, K; Takui, T; Konishi, A; Yasuda, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 8 ) 3370 - 3375 2022年03月02日

ISSN: 0002-7863

DOI
Relevant synthesis to manipulating non-planarity in dibenzo[g,p] chrysene: Substitution reactions at the bay

Kamiguchi, S; Akasaka, R; Yoshida, N; Imai, T; Yamaoka, Y; Amaya, T; Iwasawa, T

TETRAHEDRON LETTERS 92 2022年03月02日

ISSN: 0040-4039

DOI
Accuracy of some useful closure relations in combination with the reference interaction site model theory for fluids of single component diatomic molecules

Miyata, T; Murata, S; Sakamoto, M; Sasaki, Y

AIP ADVANCES 12 ( 3 ) 2022年03月01日

DOI
Copper(ii) tetrakis(pentafluorophenyl)porphyrin: highly active copper-based molecular catalysts for electrochemical CO2 reduction

Kosugi, K; Kashima, H; Kondo, M; Masaoka, S

CHEMICAL COMMUNICATIONS 58 ( 18 ) 2975 - 2978 2022年03月01日

ISSN: 1359-7345

DOI
Nitrogen-Containing Perylene Diimides: Molecular Design, Robust Aggregated Structures, and Advances in n-Type Organic Semiconductors

Kumagai, S; Ishii, H; Watanabe, G; Yu, CP; Watanabe, S; Takeya, J; Okamoto, T

ACCOUNTS OF CHEMICAL RESEARCH 55 ( 5 ) 660 - 672 2022年03月01日

ISSN: 0001-4842

DOI
Radiation robustness of laser ceramics and single crystal for microchip laser remote analysis

Tamura, K; Nakanishi, R; Ohba, H; Taira, T; Wakaida, I

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( 3 ) 2022年03月01日

ISSN: 0021-4922

DOI
Evidence of synergistic electrocatalysis at a cobalt oxide-graphene interface through nanochemical mapping of scanning transmission X-ray microscopy

Vélez, JJV; Chin, YY; Tsai, MH; Burton, OJ; Wang, RZ; Hofmann, S; Hsu, WH; Ohigashi, T; Pong, WF; C … 全著者表示

CHINESE JOURNAL OF PHYSICS 76 135 - 144 2022年03月

ISSN: 0577-9073

DOI
Extended ensemble molecular dynamics study of cellulose I-ethylenediamine complex crystal models: atomistic picture of desorption behaviors of ethylenediamine

Yui, T; Uto, T

CELLULOSE 29 ( 5 ) 2855 - 2867 2022年03月

ISSN: 0969-0239

DOI
Hydride-ion-conducting K2NiF4-type Ba-Li oxyhydride solid electrolyte

Takeiri, F; Watanabe, A; Okamoto, K; Bresser, D; Lyonnard, S; Frick, B; Ali, A; Imai, Y; Nishikawa, … 全著者表示

NATURE MATERIALS 21 ( 3 ) 325 - + 2022年03月

ISSN: 1476-1122

DOI
Infrared spectroscopy of difference and combination bands of the NO3 radical and anharmonicity analysis

Kawaguchi, K; Fujimori, R; Tang, J; Ishiwata, T

JOURNAL OF MOLECULAR SPECTROSCOPY 385 2022年03月

ISSN: 0022-2852

DOI
Reactions introducing 4-cyano-5-dicyanomethylene-2-oxo-3-pyrrolin-3-yl group to 4-ethynyl-N,N-dialkylaniline derivatives and characterization of the resulting dyes

Katsuyama, H; Sumita, R; Yamakado, R; Okada, S

DYES AND PIGMENTS 199 2022年03月

ISSN: 0143-7208

DOI
Relative energies among proton-shifted S2 isomers in the photosystem II revealed by DLPNO coupled cluster and hybrid DFT calculations. Proton transfer coupled spin transitions of the CaMn4Ox cluster in OEC of PSII

Miyagawa, K; Shoji, M; Isobe, H; Kawakami, T; Nakajima, T; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 790 2022年03月

ISSN: 0009-2614

DOI
Synthesis and Electrocatalytic CO2 Reduction Activity of an Iron Porphyrin Complex Bearing a Hydroquinone Moiety

Kosugi, K; Imai, M; Kondo, M; Masaoka, S

CHEMISTRY LETTERS 51 ( 3 ) 224 - 226 2022年03月

ISSN: 0366-7022

DOI
The Phosphorus Bond, or the Phosphorus-Centered Pnictogen Bond: The Covalently Bound Phosphorus Atom in Molecular Entities and Crystals as a Pnictogen Bond Donor

Varadwaj, PR; Varadwaj, A; Marques, HM; Yamashita, K

MOLECULES 27 ( 5 ) 2022年03月

DOI
Theoretical Study of the Isotope and Homologue Effects on Nuclear Magnetic Shielding in Water and Hydrogen Sulfide Molecules

Ishii, K; Shimazaki, T; Tachikawa, M; Kita, Y

CHEMISTRY LETTERS 51 ( 3 ) 342 - 344 2022年03月

ISSN: 0366-7022

DOI
Global Analysis of Heme Proteins Elucidates the Correlation between Heme Distortion and the Heme-Binding Pocket

Kondo, HX; Fujii, M; Tanioka, T; Kanematsu, Y; Yoshida, T; Takano, Y

JOURNAL OF CHEMICAL INFORMATION AND MODELING 62 ( 4 ) 775 - 784 2022年02月28日

ISSN: 1549-9596

DOI
Replica permutation with solute tempering for molecular dynamics simulation and its application to the dimerization of amyloid-β fragments

Fukuhara, D; Itoh, SG; Okumura, H

JOURNAL OF CHEMICAL PHYSICS 156 ( 8 ) 2022年02月28日

ISSN: 0021-9606

DOI
Free-Standing Nanometer-Thick Covalent Organic Framework Films for Separating CO2 and N2

Kato, M; Ota, R; Endo, T; Yanase, T; Nagahama, T; Shimada, T

ACS APPLIED NANO MATERIALS 5 ( 2 ) 2367 - 2374 2022年02月25日

DOI
Interpretation of the X-Ray Emission Spectra of Liquid Water through Temperature and Isotope Dependence

Takahashi, O; Yamamura, R; Tokushima, T; Harada, Y

PHYSICAL REVIEW LETTERS 128 ( 8 ) 2022年02月25日

ISSN: 0031-9007

DOI
Geometrical Structures of Gas-Phase Cerium Oxide Cluster Cations after Reaction with Nitric Oxide Studied by Ion Mobility Mass Spectrometry

Nagata, T; Wu, JWJ; Nakano, M; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 7 ) 1204 - 1210 2022年02月24日

ISSN: 1089-5639

DOI
Hot Hydrogen Atom Irradiation of Protonated/Deprotonated Peptide in an Ion Trap Facilitates Fragmentation through Heated Radical Formation

Asakawa, D; Takahashi, H; Iwamoto, S; Tanaka, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 7 ) 3020 - 3028 2022年02月23日

ISSN: 0002-7863

DOI
Selective Encapsulation and Unusual Stabilization of cis-Isomers by a Spherical Polyaromatic Cavity

Yuasa, M; Sumida, R; Tanaka, Y; Yoshizawa, M

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 10 ) 2022年02月21日

ISSN: 0947-6539

DOI
Amplification of luminescence of stable radicals by coordination to NHC-gold(i) complex

Hattori, Y; Kitajima, R; Matsuoka, R; Kusamoto, T; Nishihara, H; Uchida, K

CHEMICAL COMMUNICATIONS 58 ( 15 ) 2560 - 2563 2022年02月17日

ISSN: 1359-7345

DOI
Photoemission Tomography of a One-Dimensional Row Structure of a Flat-Lying Picene Multilayer on Ag(110)

Iwasawa, M; Kobayashi, S; Sasaki, M; Hasegawa, Y; Ishii, H; Matsui, F; Kera, S; Yamada, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 13 ( 6 ) 1512 - 1518 2022年02月17日

ISSN: 1948-7185

DOI
Enantiodivergent Reaction of Ketimines with Malononitriles Using Single Cinchona Alkaloid Sulfonamide Catalysts

Nakamura, S; Matsumoto, N; Kibe, M; Abe, K; Takehara, T; Suzuki, T

ADVANCED SYNTHESIS & CATALYSIS 364 ( 4 ) 781 - 786 2022年02月15日

ISSN: 1615-4150

DOI
Evidence of electronic interactions between end platinum atoms of hexanuclear units in heterometallic one-dimensional chains

Uemura, K; Sugiyama, Y

JOURNAL OF MOLECULAR STRUCTURE 1250 2022年02月15日

ISSN: 0022-2860

DOI
Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics

Yamada, S; Sato, M; Uto, E; Kataoka, M; Morita, M; Konno, T

NEW JOURNAL OF CHEMISTRY 46 ( 7 ) 3392 - 3400 2022年02月14日

ISSN: 1144-0546

DOI
Remote steric control for undirected meta-selective C-H activation of arenes

Ramadoss, B; Jin, YS; Asako, S; Ilies, L

SCIENCE 375 ( 6581 ) 658 - + 2022年02月11日

ISSN: 0036-8075

DOI
In Situ Observation of Emission Sites during the Halide Exchange Reaction in Single Cesium Lead Halide Perovskite Nanocrystals

Darmawan, YA; Yamauchi, M; Masuo, S

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 5 ) 2627 - 2633 2022年02月10日

ISSN: 1932-7447

DOI
Anapole superconductivity from PT\documentclass-symmetric mixed-parity interband pairing

Kanasugi, S; Yanase, Y

COMMUNICATIONS PHYSICS 5 ( 1 ) 2022年02月10日

ISSN: 2399-3650

DOI
Enantioselective reaction of N-cyano imines: decarboxylative Mannich-type reaction with malonic acid half thioesters

Oyamada, Y; Inaba, K; Sasamori, T; Nakamura, S

CHEMICAL COMMUNICATIONS 58 ( 13 ) 2172 - 2175 2022年02月10日

ISSN: 1359-7345

DOI
Identification of Valence Electronic States Reflecting the Hydrogen Bonding in Liquid Ethanol

Yamamura, R; Yamazoe, K; Miyawaki, J; Harada, Y; Takahashi, O

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 5 ) 1101 - 1107 2022年02月10日

ISSN: 1520-6106

DOI
Asymmetric Twisting of C-Centered Octahedral Gold(I) Clusters by Chiral N-Heterocyclic Carbene Ligation

Pei, XL; Zhao, P; Ube, H; Lei, Z; Nagata, K; Ehara, M; Shionoya, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 5 ) 2156 - 2163 2022年02月09日

ISSN: 0002-7863

DOI
Natural reaction orbitals for characterizing electron transfer responsive to nuclear coordinate displacement

Ebisawa, S; Hasebe, M; Tsutsumi, T; Tsuneda, T; Taketsugu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 6 ) 3532 - 3545 2022年02月09日

ISSN: 1463-9076

DOI
Photoinduced Copper-Catalyzed Asymmetric Acylation of Allylic Phosphates with Acylsilanes

Ueda, Y; Masuda, Y; Iwai, T; Imaeda, K; Takeuchi, H; Ueno, K; Gao, M; Hasegawa, JY; Sawamura, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 5 ) 2218 - 2224 2022年02月09日

ISSN: 0002-7863

DOI
Complexes of transition metal carbonyl clusters with tin(ii) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties

Romanenko, NR; Kuzmin, A; Khasanov, SS; Faraonov, MA; Yudanova, E; Nakano, Y; Otsuka, A; Yamochi, H … 全著者表示

DALTON TRANSACTIONS 51 ( 6 ) 2226 - 2237 2022年02月08日

ISSN: 1477-9226

DOI
Nanostructured Manganese Oxides within a Ring-Shaped Polyoxometalate Exhibiting Unusual Oxidation Catalysis

Sato, K; Yonesato, K; Yatabe, T; Yamaguchi, K; Suzuki, K

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 8 ) 2022年02月07日

ISSN: 0947-6539

DOI
Self-consistent construction of grand potential functional with hierarchical integral equations and its application to solvation thermodynamics

Yagi, T; Sato, H

JOURNAL OF CHEMICAL PHYSICS 156 ( 5 ) 2022年02月07日

ISSN: 0021-9606

DOI
Contribution of Solvents to Geometrical Preference in the Z/E Equilibrium of N-Phenylthioacetamide

Song, SY; Hyodo, T; Ikeda, H; Vu, KAL; Tang, YL; Chan, ES; Otani, Y; Inagaki, S; Yamaguchi, K; Ohwa … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 87 ( 3 ) 1641 - 1660 2022年02月04日

ISSN: 0022-3263

DOI
Enantioselective Pictet-Spengler Reaction of Acyclic α-Ketoesters Using Chiral Imidazoline-Phosphoric Acid Catalysts

Nakamura, S; Matsuda, Y; Takehara, T; Suzuki, T

ORGANIC LETTERS 24 ( 4 ) 1072 - 1076 2022年02月04日

ISSN: 1523-7060

DOI
Raman Spectroscopy of an Atypical C15-E,syn Bilin Chromophore in Cyanobacteriochrome RcaE

Okuda, Y; Miyoshi, R; Kamo, T; Fujisawa, T; Nagae, T; Mishima, M; Eki, T; Hirose, Y; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 4 ) 813 - 821 2022年02月03日

ISSN: 1520-6106

DOI
Time-Resolved Infrared Spectroscopy with Multivariate Analysis on Photoinduced Proton Transfer in Aromatic Urea-Acetate Anion Complexes

Kondoh, M; Honda, H; Togasaki, K; Nishimura, Y; Arai, T; Ishibashi, TA

JOURNAL OF PHYSICAL CHEMISTRY B 126 ( 4 ) 912 - 921 2022年02月03日

ISSN: 1520-6106

DOI
A Ni0 σ-Borane Complex Bearing a Rigid Bidentate Borane/Phosphine Ligand: Boryl Complex Formation by Oxidative Dehydrochloroborylation and Catalytic Activity for Ethylene Polymerization

Seidel, FW; Nozaki, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 6 ) 2022年02月01日

DOI
Carboboration-Driven Generation of a Silylium Ion for Vinylic C-F Bond Functionalization by B(C6F5)3 Catalysis

Yata, T; Nishimoto, Y; Yasuda, M

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 7 ) 2022年02月01日

ISSN: 0947-6539

DOI
Clustering feature of metal atoms in pentacene molecular solids: a first-principles study

Watanabe, S; Tomita, Y; Kawabata, K; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( 2 ) 2022年02月01日

ISSN: 0021-4922

DOI
D-Mannose binding, aggregation property, and antifungal activity of amide derivatives of pradimicin A

Miyanishi, W; Ojika, M; Akase, D; Aida, M; Igarashi, Y; Ito, Y; Nakagawa, Y

BIOORGANIC & MEDICINAL CHEMISTRY 55 2022年02月01日

ISSN: 0968-0896

DOI
Dianion and Dication of Tetracyclopentatetraphenylene as Decoupled Annulene-within-an-Annulene Models

Miyoshi, H; Sugiura, R; Kishi, R; Spisak, SN; Wei, Z; Muranaka, A; Uchiyama, M; Kobayashi, N; Chatt … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 6 ) 2022年02月01日

ISSN: 1433-7851

DOI
Synthesis and n-Type Semiconducting Properties of Bis(dioxaborin) Compounds Containing a π-Extended 2,2′-Bithiophene Structure

Kojima, Y; Sugiura, S; Suzuki, K; Yisilamu, Y; Ono, K

CHEMISTRY-AN ASIAN JOURNAL 17 ( 3 ) 2022年02月01日

ISSN: 1861-4728

DOI
Temperature-dependent optical properties of ε-Ga2O3 thin films

Makino, T; Yusa, S; Oka, D; Fukumura, T

JAPANESE JOURNAL OF APPLIED PHYSICS 61 ( SB ) 2022年02月01日

ISSN: 0021-4922

DOI
Acid Dissociation Constants of the Benzimidazole Unit in the Polybenzimidazole Chain: Configuration Effects

Antonov, L; Kawauchi, S; Shirata, K

MOLECULES 27 ( 3 ) 2022年02月

DOI
An Organic Quantum Spin Liquid with Triangular Lattice: Spinon Fermi Surface and Scaling Behavior

Kusamoto, T; Ohde, C; Sugiura, S; Yamashita, S; Matsuoka, R; Terashima, T; Nakazawa, Y; Nishihara, … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 2 ) 306 - 313 2022年02月

ISSN: 0009-2673

DOI
Analysis of Fluctuation in the Heme-Binding Pocket and Heme Distortion in Hemoglobin and Myoglobin

Kondo, HX; Takano, Y

LIFE-BASEL 12 ( 2 ) 2022年02月

DOI
Circularly polarized luminescence (CPL) characteristics of hydrophobic pyrene derivatives/γ-cyclodextrin (γ-CD) complexes in aqueous solution dissolved by grinding

Sawai, M; Matsumoto, S; Mimura, Y; Imai, Y; Yamazaki, S; Kanehisa, N; Tohnai, N; Nakata, E; Takashi … 全著者表示

JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY 102 ( 1-2 ) 133 - 142 2022年02月

ISSN: 1388-3127

DOI
Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: An ab initio path integral molecular dynamics study

Udagawa, T; Kuwahata, K; Tachikawa, M

COMPUTATIONAL AND THEORETICAL CHEMISTRY 1208 2022年02月

ISSN: 2210-271X

DOI
Efficient Interfacial Upconversion Enabling Bright Emission at an Extremely Low Driving Voltage in Organic Light-Emitting Diodes

Izawa, S; Morimoto, M; Naka, S; Hiramoto, M

ADVANCED OPTICAL MATERIALS 10 ( 4 ) 2022年02月

ISSN: 2195-1071

DOI
Multi-electron-ion coincidence spectrometer with a high-efficiency microchannel plate detector

Hikosaka, Y

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 255 2022年02月

ISSN: 0368-2048

DOI
Multidimensional nanoscopic chiroptics

Chen, Y; Du, W; Zhang, Q; Avalos-Ovando, O; Wu, J; Xu, QH; Liu, N; Okamoto, H; Govorov, AO; Xiong, … 全著者表示

NATURE REVIEWS PHYSICS 4 ( 2 ) 113 - 124 2022年02月

DOI
Quantitative Visualization of the Interaction between Complement Component C1 and Immunoglobulin G: The Effect of CH1 Domain Deletion

Yanaka, S; Nishiguchi, S; Yogo, R; Watanabe, H; Shen, JA; Yagi, H; Uchihashi, T; Kato, K

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 23 ( 4 ) 2022年02月

ISSN: 1661-6596

DOI
The effect of water exposure on FePc thin films grown on bismuth-covered Si(111) surfaces

Ohno, S; Okanda, K; Takahashi, K

SURFACE SCIENCE 716 2022年02月

ISSN: 0039-6028

DOI
D-π-A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior

Yamada, S; Kobayashi, K; Morita, M; Konno, T

CRYSTENGCOMM 24 ( 5 ) 936 - 941 2022年01月31日

DOI
Ti3C2Tx MXene nanosheets hybridized with bacteriochlorin-carotenoid conjugates for photocatalytic hydrogen evolution

Sun, XL; Li, YL; Wang, XF; Fujii, R; Yamano, Y; Kitao, O; Sasaki, S

NEW JOURNAL OF CHEMISTRY 46 ( 5 ) 2166 - 2177 2022年01月31日

ISSN: 1144-0546

DOI
Three-dimensional free-energy landscape of hydrogen and oxygen molecules in polymer electrolyte membranes: Insight into diffusion paths

Nagai, T; Fujimoto, K; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 156 ( 4 ) 2022年01月28日

ISSN: 0021-9606

DOI
X-ray absorption spectra of aqueous cellobiose: Experiment and theory

Akazawa, D; Sasaki, T; Nagasaka, M; Shiga, M

JOURNAL OF CHEMICAL PHYSICS 156 ( 4 ) 2022年01月28日

ISSN: 0021-9606

DOI
Asymmetric synthesis of tetrasubstituted cyclic amines via aza-Henry reaction using cinchona alkaloid sulfonamide/zinc(ii) catalysts

Yasukawa, N; Yamanoue, A; Takehara, T; Suzuki, T; Nakamura, S

CHEMICAL COMMUNICATIONS 58 ( 9 ) 1318 - 1321 2022年01月27日

ISSN: 1359-7345

DOI
Line graph theory reveals hidden spin frustration and bond frustration in molecular crystals with strong isotropy

Suizu, R; Awaga, K

JOURNAL OF MATERIALS CHEMISTRY C 10 ( 4 ) 1196 - 1203 2022年01月27日

ISSN: 2050-7526

DOI
Nonreciprocal optical response in parity-breaking superconductors

Watanabe, H; Daido, A; Yanase, Y

PHYSICAL REVIEW B 105 ( 2 ) 2022年01月27日

ISSN: 2469-9950

DOI
Ruthenium Complexes Bearing Axially Chiral Bipyridyls: The Mismatched Diastereomer Showed Red Circularly Polarized Phosphorescence

Takaishi, K; Nakatsuka, Y; Asano, H; Yamada, Y; Ema, T

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 6 ) 2022年01月27日

ISSN: 0947-6539

DOI
1,2,3-Tri(9-anthryl)benzene: Photophysical Properties and Solid-State Intermolecular Interactions of Radially Arranged, Congested Aromatic π-Planes

Nishiuchi, T; Sotome, H; Shimizu, K; Miyasaka, H; Kubo, T

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 5 ) 2022年01月24日

ISSN: 0947-6539

DOI
Heterogeneous Enantioselective Hydrogenation of Ketones by 2-Amino-2′-hydroxy-1,1′-binaphthyl-Modified CeO2-Supported Ir Nanoclusters

Tamura, M; Hayashigami, N; Nakayama, A; Nakagawa, Y; Tomishige, K

ACS CATALYSIS 12 ( 2 ) 868 - 876 2022年01月21日

ISSN: 2155-5435

DOI
Intrinsic Superconducting Diode Effect

Daido, A; Ikeda, Y; Yanase, Y

PHYSICAL REVIEW LETTERS 128 ( 3 ) 2022年01月21日

ISSN: 0031-9007

DOI
Solid-State C-N Cross-Coupling Reactions with Carbazoles as Nitrogen Nucleophiles Using Mechanochemistry

Kubota, K; Endo, T; Uesugi, M; Hayashi, Y; Ito, H

CHEMSUSCHEM 15 ( 2 ) 2022年01月21日

ISSN: 1864-5631

DOI
Spontaneous radiative dissociation of the second bound state of positronium hydride

Yamashita, T; Hiyama, E; Yoshida, D; Tachikawa, M

PHYSICAL REVIEW A 105 ( 1 ) 2022年01月20日

ISSN: 2469-9926

DOI
A catalyzed E/Z isomerization mechanism of stilbene using para-benzoquinone as a triplet sensitizer

Nakatani, K; Sato, H; Fukuda, R

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 3 ) 1712 - 1721 2022年01月19日

ISSN: 1463-9076

DOI
Excited-state dynamics of dipyrrolyldiketone difluoroboron complexes

Sato, R; Okajima, H; Sugiura, S; Haketa, Y; Kinoshita, Y; Tamiaki, H; Sakamoto, A; Maeda, H; Kobaya … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 3 ) 1685 - 1691 2022年01月19日

ISSN: 1463-9076

DOI
Infinitene: A Helically Twisted Figure-Eight [12]Circulene Topoisomer

Krzeszewski, M; Ito, H; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 144 ( 2 ) 862 - 871 2022年01月19日

ISSN: 0002-7863

DOI
Singular value decomposition analysis of the electron density changes occurring upon electrostatic polarization of water

Torii, H

RSC ADVANCES 12 ( 5 ) 2564 - 2573 2022年01月18日

DOI
siRNA Seed Region Is Divided into Two Functionally Different Domains in RNA Interference in Response to 2′-OMe Modifications

Kobayashi, Y; Fukuhara, D; Akase, D; Aida, M; Ui-Tei, K

ACS OMEGA 7 ( 2 ) 2398 - 2410 2022年01月18日

ISSN: 2470-1343

DOI
Paramagnetic one-dimensional chains containing high-spin manganese atoms showing antiferromagnetic interaction through -Pt-Rh-Rh-Pt- bonds

Uemura, K; Aoki, Y; Takamori, A

DALTON TRANSACTIONS 51 ( 3 ) 946 - 957 2022年01月17日

ISSN: 1477-9226

DOI
Unsymmetric Dinuclear Rh2I and RhIRhIII Complexes Supported by Tetraphosphine Ligands and Their Reactivity of Oxidative Protonation and Reductive Dechlorination

Nakajima, T; Maeda, M; Matsui, A; Nishigaki, M; Kotani, M; Tanase, T

INORGANIC CHEMISTRY 61 ( 2 ) 1102 - 1117 2022年01月17日

ISSN: 0020-1669

DOI
Atomic mass dependence of the nuclear quantum effect in NH+4 (H2O)

Kuwahata, K; Tachikawa, M

CHEMICAL PHYSICS 553 2022年01月15日

ISSN: 0301-0104

DOI
Molecular size and shape effects: Tracer diffusion and the Stokes-Einstein relation

Ishii, Y; Murakami, T; Ohtori, N

JOURNAL OF MOLECULAR LIQUIDS 346 2022年01月15日

ISSN: 0167-7322

DOI
Adsorption Forms of NO on Iridium-Doped Rhodium Clusters in the Gas Phase Revealed by Infrared Multiple Photon Dissociation Spectroscopy

Zhang, YF; Yamaguchi, M; Kawada, K; Kudoh, S; Lushchikova, O; Bakker, JM; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 1 ) 36 - 43 2022年01月13日

ISSN: 1089-5639

DOI
Hydrogen/Deuterium Transfer from Anisole to Methoxy Radicals: A Theoretical Study of a Deuterium-Labeled Drug Model

Kimura, Y; Kanematsu, Y; Sakagami, H; Rocabado, DSR; Shimazaki, T; Tachikawa, M; Ishimoto, T

JOURNAL OF PHYSICAL CHEMISTRY A 126 ( 1 ) 155 - 163 2022年01月13日

ISSN: 1089-5639

DOI
Terahertz Spectroscopic Measurements and Solid-State Density Functional Calculations on CH3NH3PbBr3 Perovskites: Short-Range Order of Methylammonium

Zhang, F; Karimata, I; Wang, HW; Tachikawa, T; Tominaga, K; Hayashi, M; Sasaki, T

JOURNAL OF PHYSICAL CHEMISTRY C 126 ( 1 ) 339 - 348 2022年01月13日

ISSN: 1932-7447

DOI
Superconducting piezoelectric effect

Chazono, M; Watanabe, H; Yanase, Y

PHYSICAL REVIEW B 105 ( 2 ) 2022年01月12日

ISSN: 2469-9950

DOI
A Theoretical Study on Non-Bridging Dimer Formation of a Cationic Platinum Complex with a Redox-Active Ligand

Sakamoto, Y; Kikkawa, S; Yokojima, S; Matsushita, N; Nakamura, S

CHEMISTRYSELECT 7 ( 1 ) 2022年01月11日

ISSN: 2365-6549

DOI
Emerging Disordered Layered-Herringbone Phase in Organic Semiconductors Unveiled by Electron Crystallography

Inoue, S; Nikaido, K; Higashino, T; Arai, S; Tanaka, M; Kumai, R; Tsuzuki, S; Horiuchi, S; Sugiyama … 全著者表示

CHEMISTRY OF MATERIALS 34 ( 1 ) 72 - 83 2022年01月11日

ISSN: 0897-4756

DOI
A Face-to-Face Dimer of Au3 Superatoms Supported by Interlocked Tridentate Scaffolds Formed in Au18S2(SR)12

Shigeta, T; Takano, S; Tsukuda, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 2 ) 2022年01月10日

DOI
A Unified View on Varied Ultrafast Dynamics of the Primary Process in Microbial Rhodopsins

Chang, CF; Kuramochi, H; Singh, M; Abe-Yoshizumi, R; Tsukuda, T; Kandori, H; Tahara, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 2 ) 2022年01月10日

DOI
Comprehensive Structural Analysis of the Bitter Components in Beer by the HPLC-Assisted Crystalline Sponge Method

Taniguchi, Y; Kikuchi, T; Sato, S; Fujita, M

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 2 ) 2022年01月10日

ISSN: 0947-6539

DOI
Direct Near Infrared Light-Activatable Phthalocyanine Catalysts

Katsurayama, Y; Ikabata, Y; Maeda, H; Segi, M; Nakai, H; Furuyama, T

CHEMISTRY-A EUROPEAN JOURNAL 28 ( 2 ) 2022年01月10日

ISSN: 0947-6539

DOI
Distinct Fold-Mode Formation of Crystalline Cu(I) Helical Coordination Polymers with Alternation of the Solid-State Emission Using Shape of the Counter Anions

Jin, M; Ando, R; Ito, H

INORGANIC CHEMISTRY 61 ( 1 ) 3 - 9 2022年01月10日

ISSN: 0020-1669

DOI
Accurate scaling functions of the scaled Schrodinger equation

Nakatsuji, H; Nakashima, H; Kurokawa, YI

JOURNAL OF CHEMICAL PHYSICS 156 ( 1 ) 2022年01月07日

ISSN: 0021-9606

DOI
Chromium Oxides as Structural Modulators of Rhodium Dispersion on Ceria to Generate Active Sites for NO Reduction

Ikemoto, S; Muratsugu, S; Koitaya, T; Tada, M

ACS CATALYSIS 12 ( 1 ) 431 - 441 2022年01月07日

ISSN: 2155-5435

DOI
Reaction Path Determination of Rhodium(I)-Catalyzed C-H Alkylation of N-8-Aminoquinolinyl Aromatic Amides with Maleimides

Taborosi, A; He, O; Ano, Y; Chatani, N; Mori, S

JOURNAL OF ORGANIC CHEMISTRY 87 ( 1 ) 737 - 743 2022年01月07日

ISSN: 0022-3263

DOI
Simulating the nematic-isotropic phase transition of liquid crystal model via generalized replica-exchange method

Takemoto, K; Ishii, Y; Washizu, H; Kim, K; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 156 ( 1 ) 2022年01月07日

ISSN: 0021-9606

DOI
Efficient access to materials-oriented aromatic alkynes via the mechanochemical Sonogashira coupling of solid aryl halides with large polycyclic conjugated systems

Gao, YP; Feng, C; Seo, T; Kubota, K; Ito, H

CHEMICAL SCIENCE 13 ( 2 ) 430 - 438 2022年01月05日

ISSN: 2041-6520

DOI
Four- and two-armed hetero porphyrin dimers: their specific recognition and self-sorting behaviours

Ueda, M; Kimura, M; Miyagawa, S; Naito, M; Takaya, H; Tokunaga, Y

ORGANIC & BIOMOLECULAR CHEMISTRY 20 ( 2 ) 387 - 395 2022年01月05日

ISSN: 1477-0520

DOI
Synthesis of Hexaazatriphenylene Charge-Transfer Complexes and Their Application in Cathode Active Materials for Lithium-Ion Batteries

Nakao, K; Kamakura, Y; Fujiwara, M; Shimizu, T; Yoshida, Y; Kitagawa, H; Yoshikawa, H; Kitagawa, Y; … 全著者表示

CRYSTAL GROWTH & DESIGN 22 ( 1 ) 26 - 31 2022年01月05日

ISSN: 1528-7483

DOI
Adenylate kinase 1 overexpression increases locomotor activity in medaka fish

Maruyama, M; Furukawa, Y; Kinoshita, M; Mukaiyama, A; Akiyama, S; Yoshimura, T

PLOS ONE 17 ( 1 ) 2022年01月04日

ISSN: 1932-6203

DOI
Direct evaluation of hole effective mass of SnS-SnSe solid solutions with ARPES measurement

Suzuki, I; Lin, ZX; Kawanishi, S; Tanaka, K; Nose, Y; Omata, T; Tanaka, SI

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 2 ) 634 - 638 2022年01月04日

ISSN: 1463-9076

DOI
Specific chemical bond relaxation unraveled by analysis of shake-up satellites in the oxygen single site double core hole spectrum of CO2

Ferté, A; Penent, F; Palaudoux, J; Iwayama, H; Shigemasa, E; Hikosaka, Y; Soejima, K; Lablanquie, P … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 2 ) 1131 - 1146 2022年01月04日

ISSN: 1463-9076

DOI
Suzuki-Miyaura Cross-Coupling Reaction with Potassium Aryltrifluoroborate in Pure Water Using Recyclable Nanoparticle Catalyst

Kawase, M; Matsuoka, K; Shinagawa, T; Hamasaka, G; Uozumi, Y; Shimomura, O; Ohtaka, A

SYNLETT 33 ( 01 ) 57 - 61 2022年01月04日

ISSN: 0936-5214

DOI
Tetraaryldiborane(4) Can Emit Dual Fluorescence Responding to the Structural Change around the B-B Bond

Shoji, Y; Tanaka, N; Ikabata, Y; Sakai, H; Hasobe, T; Koch, N; Nakai, H; Fukushima, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 61 ( 1 ) 2022年01月03日

ISSN: 1433-7851

DOI
Biophysical Characterization of Novel DNA Aptamers against K103N/Y181C Double Mutant HIV-1 Reverse Transcriptase

Ratanabunyong, S; Seetaha, S; Hannongbua, S; Yanaka, S; Yagi-Utsumi, M; Kato, K; Paemanee, A; Choow … 全著者表示

MOLECULES 27 ( 1 ) 2022年01月

DOI
Development of anharmonic vibrational structure theory using backflow transformation

Ishii, K; Shimazaki, T; Tachikawa, M; Kita, Y

CHEMICAL PHYSICS LETTERS 787 2022年01月

ISSN: 0009-2614

DOI
Effect of Substrate and Thickness on the Photoconductivity of Nanoparticle Titanium Dioxide Thin Film Vacuum Ultraviolet Photoconductive Detector

Cadatal-Raduban, M; Kato, T; Horiuchi, Y; Olejnícek, J; Kohout, M; Yamanoi, K; Kohout, M; Yamanoi, … 全著者表示

NANOMATERIALS 12 ( 1 ) 2022年01月

DOI
Fragmentation efficiency of phenethylamines in electrospray ionization source estimated by theoretical chemistry calculation

Asakawa, D; Saikusa, K

JOURNAL OF MASS SPECTROMETRY 57 ( 1 ) 2022年01月

ISSN: 1076-5174

DOI
Highly disordered ionic distribution in α-dicalcium silicate for structure relaxation

Suzuki, M; Umesaki, N; Ishii, Y

JOURNAL OF THE AMERICAN CERAMIC SOCIETY 105 ( 1 ) 700 - 711 2022年01月

ISSN: 0002-7820

DOI
Model-free analysis of molecular orientation in amorphous organic semiconductor films for understanding its formation dynamics: Methods and systematic investigation

Sukegawa, Y; Sakai, Y; Yokoyama, D

ORGANIC ELECTRONICS 100 2022年01月

ISSN: 1566-1199

DOI
Recent Progress on Mixed-Anion Materials for Energy Applications

Maeda, K; Takeiri, F; Kobayashi, G; Matsuishi, S; Ogino, H; Ida, S; Mori, T; Uchimoto, Y; Tanabe, S … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 1 ) 26 - 37 2022年01月

ISSN: 0009-2673

DOI
Silylative Cyclization with Dehydrogenation Leading to Benzosilole-Fused Azulenes Showing Unique Stimuli-Responsive Fluorescence

Murai, M

ASIAN JOURNAL OF ORGANIC CHEMISTRY 11 ( 1 ) 2022年01月

ISSN: 2193-5807

DOI
Simultaneous Control of Bandfilling and Bandwidth in Electric Double-Layer Transistor Based on Organic Mott Insulator κ-(BEDT-TTF)2Cu[N(CN)2]Cl

Kawasugi, Y; Yamamoto, HM

CRYSTALS 12 ( 1 ) 2022年01月

DOI
Structure Analysis of Polyhalogenated Persistent Organic Pollutants by the Crystalline Sponge Method

Chen, JZ; Kikuchi, T; Takagi, K; Kiyota, H; Adachi, K; Mitsuhashi, T; Fujita, M

CHEMISTRY LETTERS 51 ( 1 ) 85 - 87 2022年01月

ISSN: 0366-7022

DOI
Synthesis and photoluminescence properties of fluorine-containing poly(phenylene vinylene) bearing hexafluorocyclopentene-fused phenanthrene unit

Fukumoto, H; Shiitsuka, K; Yamada, K; Yamada, S; Konno, T; Kubota, T; Agou, T

POLYMER INTERNATIONAL 71 ( 1 ) 117 - 123 2022年01月

ISSN: 0959-8103

DOI
Synthesis of π-extended oxacenes and their application to organic field-effect transistors

Hayasaka, C; Nagano, S; Nakano, K

ORGANIC ELECTRONICS 100 2022年01月

ISSN: 1566-1199

DOI
Thickness-Dependent Energy-Level Alignment at the Organic-Organic Interface Induced by Templated Gap States

Hagenlocher, J; Broch, K; Zwadlo, M; Lepple, D; Rawle, J; Carla, F; Kera, S; Schreiber, F; Hinderho … 全著者表示

ADVANCED MATERIALS INTERFACES 9 ( 3 ) 2022年01月

ISSN: 2196-7350

DOI
Toward the Synthesis of a Belt-Shaped Cyclic π-Conjugated System Comprising para-Phenylene Framework and Amide Bridging Unit

Takagi, K; Miyamoto, D; Yamaguchi, H; Azumaya, I

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 95 ( 1 ) 47 - 51 2022年01月

ISSN: 0009-2673

DOI
Fracture and Toughening Mechanisms of Glassy Polymer at the Molecular Level

Fujimoto, K

NIHON REOROJI GAKKAISHI 50 ( 1 ) 37 - 41 2022年

ISSN: 0387-1533

DOI
Low thermal expansion at cryogenic temperature in Fe39-xCo49+xCr10Ni2 alloy used for astronomical telescopes

Fujii, HT; Sakaguchi, N; Ona, K; Uraguchi, F; Hayano, Y; Yokoyama, T

ADVANCES IN OPTICAL AND MECHANICAL TECHNOLOGIES FOR TELESCOPES AND INSTRUMENTATION V 12188 2022年

ISBN: 978-1-5106-5357-3

ISSN: 0277-786X

DOI
Characteristic Control of n-Channel Organic Thin-Film Transistors Using a Dimethyl-Substituted Benzimidazole Dopant

Noda, K; Hiruma, Y; Yoshihashi, Y; Uebe, M; Ito, A

ACS APPLIED ELECTRONIC MATERIALS 3 ( 12 ) 5296 - 5306 2021年12月28日

DOI
How many methanol molecules effectively solvate an excess proton in the gas phase? Infrared spectroscopy of H+(methanol)n-benzene clusters

Kato, T; Fujii, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 1 ) 163 - 171 2021年12月22日

ISSN: 1463-9076

DOI
Real-time observation of photoionization-induced water migration dynamics in 4-methylformanilide-water by picosecond time-resolved infrared spectroscopy and ab initio molecular dynamics simulations

Miyazaki, M; Kamiya, T; Wohlgemuth, M; Chatterjee, K; Mitric, R; Dopfer, O; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24 ( 1 ) 73 - 85 2021年12月22日

ISSN: 1463-9076

DOI
N-Methylphenothiazine S-Oxide Enabled Oxidative C(sp2)-C(sp2) Coupling of Boronic Acids with Organolithiums via Phenothiaziniums

Yoshida, T; Honda, Y; Morofuji, T; Kano, N

ORGANIC LETTERS 23 ( 24 ) 9664 - 9668 2021年12月17日

ISSN: 1523-7060

DOI
Palladium-Catalyzed Solid-State Polyfluoroarylation of Aryl Halides Using Mechanochemistry

Takahashi, R; Seo, T; Kubota, K; Ito, H

ACS CATALYSIS 11 ( 24 ) 14803 - 14810 2021年12月17日

ISSN: 2155-5435

DOI
Dicationic oligotelluroxane or mononuclear telluronium cation? Elucidation of the true catalytic species and activation mechanism of the benzylic carbon-halogen bond

Takagi, K; Sakakibara, N; Kikkawa, S; Tsuzuki, S

CHEMICAL COMMUNICATIONS 57 ( 100 ) 13736 - 13739 2021年12月16日

ISSN: 1359-7345

DOI
Fragment-Based Excited-State Calculations Using the GW Approximation and the Bethe-Salpeter Equation

Fujita, T; Noguchi, Y

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 49 ) 10580 - 10592 2021年12月16日

ISSN: 1089-5639

DOI
Dark discrete breather modes in a monoaxial chiral helimagnet with easy-plane anisotropy

Bostrem, IG; Ekomasov, EG; Kishine, J; Ovchinnikov, AS; Sinitsyn, VE

PHYSICAL REVIEW B 104 ( 21 ) 2021年12月15日

ISSN: 2469-9950

DOI
Highly Active Cross-Metathesis of Tetrafluoroethylene with a Seven-Membered N-Heterocyclic-Carbene-Ruthenium Catalyst

Mori, K; Akiyama, M; Inada, K; Imamura, Y; Ishibashi, Y; Takahira, Y; Nozaki, K; Okazoe, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 49 ) 20980 - 20987 2021年12月15日

ISSN: 0002-7863

DOI
Insertion of Diazo Esters into C-F Bonds toward Diastereoselective One-Carbon Elongation of Benzylic Fluorides: Unprecedented BF3 Catalysis with C-F Bond Cleavage and Re-formation

Wang, F; Nishimoto, Y; Yasuda, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 49 ) 20616 - 20621 2021年12月15日

ISSN: 0002-7863

DOI
Valence Band Dispersion Embedded in Resonant Auger Electrons

Matsui, F; Makita, S; Matsuda, H; Nakamura, E; Okano, Y; Yano, T; Kera, S; Suga, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 90 ( 12 ) 2021年12月15日

ISSN: 0031-9015

DOI
Comprehensive Physical Chemistry Learning Based on Blended Learning: A New Laboratory Course

Kuroki, N; Mori, H

JOURNAL OF CHEMICAL EDUCATION 98 ( 12 ) 3864 - 3870 2021年12月14日

ISSN: 0021-9584

DOI
Contribution of vibrational overtone excitations to positron annihilation rates for benzene and naphthalene

Iida, R; Suzuki, H; Takayanagi, T; Tachikawa, M

PHYSICAL REVIEW A 104 ( 6 ) 2021年12月14日

ISSN: 2469-9926

DOI
Scalable Ehrenfest Molecular Dynamics Exploiting the Locality of Density-Functional Tight-Binding Hamiltonian

Uratani, H; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17 ( 12 ) 7384 - 7396 2021年12月14日

ISSN: 1549-9618

DOI
Chemically robust and readily available quinoline-based PNN iron complexes: application in C-H borylation of arenes

Kamitani, M

CHEMICAL COMMUNICATIONS 57 ( 98 ) 13246 - 13258 2021年12月09日

ISSN: 1359-7345

DOI
Conformation of Benzo-12-Crown-4 Complexes with Ammonium Ions Investigated by Cold Gas-Phase Spectroscopy

Goda, R; Kanazawa, S; Machida, S; Muramatsu, S; Inokuchi, Y

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 48 ) 10410 - 10418 2021年12月09日

ISSN: 1089-5639

DOI
Effect of the Large-Size A-Site Cation on the Crystal Growth and Phase Distribution of 2D/3D Mixed Perovskite Films via a Low-Pressure Vapor-Assisted Solution Process

Chen, YA; Shiu, HW; Hsu, YJ; Mundt, LE; Hung, WT; Ohigashi, T; Li, MH; Chen, P

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 48 ) 26601 - 26612 2021年12月09日

ISSN: 1932-7447

DOI
Optical study of the electronic structure of locally noncentrosymmetric CeRh2As2

Kimura, S; Sichelschmidt, J; Khim, S

PHYSICAL REVIEW B 104 ( 24 ) 2021年12月09日

ISSN: 2469-9950

DOI
Bronsted acid-induced transannulation of the phytochemical zerumbone

Kashiwazaki, G; Watanabe, R; Tsuzuki, T; Yamamoto, C; Nishikawa, A; Ohtomo, S; Yoshikawa, T; Kitamu … 全著者表示

ORGANIC & BIOMOLECULAR CHEMISTRY 19 ( 47 ) 10444 - 10454 2021年12月08日

ISSN: 1477-0520

DOI
Decomposition of nitric oxide by rhodium cluster cations at high temperatures

Nagata, T; Kawada, K; Chen, XM; Yamaguchi, M; Miyajima, K; Mafuné, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 47 ) 26721 - 26728 2021年12月08日

ISSN: 1463-9076

DOI
Rate-Limiting Step of Epoxidation Reaction of the Oxoiron(IV) Porphyrin π-Cation Radical Complex: Electron Transfer Coupled Bond Formation Mechanism

Ishimizu, Y; Ma, ZF; Hada, M; Fujii, H

INORGANIC CHEMISTRY 60 ( 23 ) 17687 - 17698 2021年12月06日

ISSN: 0020-1669

DOI
Solvent Effects in the Crystalline Sponge Method: Importance of Co-solvents for Ordering Absorbed Guests

Wada, N; Kageyama, K; Jung, Y; Mitsuhashi, T; Fujita, M

ORGANIC LETTERS 23 ( 23 ) 9288 - 9291 2021年12月03日

ISSN: 1523-7060

DOI
A unique leucine-valine adhesive motif supports structure and function of protein disulfide isomerase P5 via dimerization

Okumura, M; Kanemura, S; Matsusaki, M; Kinoshita, M; Saio, T; Ito, D; Hirayama, C; Kumeta, H; Watab … 全著者表示

STRUCTURE 29 ( 12 ) 1357 - + 2021年12月02日

ISSN: 0969-2126

DOI
Theoretical Study of the Propene Combustion Catalysis of Chromite Spinels: Reaction Mechanism and Relation between the Activity and Electronic Structure of Spinels

Zhao, P; Ehara, M; Satsuma, A; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 47 ) 25983 - 26002 2021年12月02日

ISSN: 1932-7447

DOI
Effects of mechanical grinding on the phase behavior and anhydrous proton conductivity of imidazolium hydrogen succinate

Dekura, S; Sunairi, Y; Okamoto, K; Takeiri, F; Kobayashi, G; Hori, Y; Shigeta, Y; Mori, H

SOLID STATE IONICS 372 2021年12月01日

ISSN: 0167-2738

DOI
Elucidating microscopic events driven by GTP hydrolysis reaction in the Ras-GAP system with semi-reactive molecular dynamics simulations: the alternative role of a phosphate binding loop for mechanical energy storage

Kurisaki, I; Tanaka, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 46 ) 26151 - 26164 2021年12月01日

ISSN: 1463-9076

DOI
Impacts of terminal molecules on metal-atom diffusion into alkane self-assembled-monolayer films: first-principles study

Watanabe, S; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( 12 ) 2021年12月01日

ISSN: 0021-4922

DOI
Protein Modification at Tyrosine with Iminoxyl Radicals

Maruyama, K; Ishiyama, T; Seki, Y; Sakai, K; Togo, T; Oisaki, K; Kanai, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 47 ) 19844 - 19855 2021年12月01日

ISSN: 0002-7863

DOI
Theoretical study on isomerization of α-acids: A DFT calculation

Kimura, M; Ito, T; Sato, H; Higashi, M

FOOD CHEMISTRY 364 2021年12月01日

ISSN: 0308-8146

DOI
OpenMechanochem: A Python module for mechanochemical simulations

De Chavez, D; Hasegawa, JY

SOFTWAREX 16 2021年12月

ISSN: 2352-7110

DOI
Circularly Polarized Luminescence in Chiral π-Conjugated Macrocycles

Hasegawa, M; Nojima, Y; Mazaki, Y

CHEMPHOTOCHEM 5 ( 12 ) 1042 - 1058 2021年12月

ISSN: 2367-0932

DOI
Crystal structure of Escherichia coli class II hybrid cluster protein, HCP, reveals a [4Fe-4S] cluster at the N-terminal protrusion

Fujishiro, T; Ooi, M; Takaoka, K

FEBS JOURNAL 288 ( 23 ) 6752 - 6768 2021年12月

ISSN: 1742-464X

DOI
Energy Diagrams of Lanthanide Energy Levels in Perovskite-Type Calcium-Based Double Oxides Examined by X-Ray Photoelectron Spectroscopy

Ueda, K; Yamamoto, R; Shimizu, Y

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 258 ( 12 ) 2021年12月

ISSN: 0370-1972

DOI
Fusion Visualization Technique to Improve a Three-Dimensional Isotope-Selective CT Image Based on Nuclear Resonance Fluorescence with a Gamma-CT Image

Ali, K; Zen, HS; Ohgaki, H; Kii, T; Hayakawa, T; Shizuma, T; Katoh, M; Taira, Y; Fujimoto, M; Toyok … 全著者表示

APPLIED SCIENCES-BASEL 11 ( 24 ) 2021年12月

DOI
Lewis acid-mediated Suzuki-Miyaura cross-coupling reaction

Niwa, T; Uetake, Y; Isoda, M; Takimoto, T; Nakaoka, M; Hashizume, D; Sakurai, H; Hosoya, T

NATURE CATALYSIS 4 ( 12 ) 1080 - 1088 2021年12月

ISSN: 2520-1158

DOI
One-Year In Situ Incubation of Pyrite at the Deep Seafloor and Its Microbiological and Biogeochemical Characterizations

Mitsunobu, S; Ohashi, Y; Makita, H; Suzuki, Y; Nozaki, T; Ohigashi, T; Ina, T; Takaki, Y

APPLIED AND ENVIRONMENTAL MICROBIOLOGY 87 ( 23 ) 2021年12月

ISSN: 0099-2240

DOI
Optical properties of the antiferromagnetic Heusler alloy Ru2CrGe

Kanomata, T; Awano, T; Eto, T

SOLID STATE COMMUNICATIONS 340 2021年12月

ISSN: 0038-1098

DOI
Palladium-Catalyzed Aerobic α,β-Dehydrogenation of Carboxylic Acids

Shibatani, A; Kataoka, Y; Ura, Y

ASIAN JOURNAL OF ORGANIC CHEMISTRY 10 ( 12 ) 3285 - 3289 2021年12月

ISSN: 2193-5807

DOI
Path Integral Molecular Dynamics Study on NH4+ (H2O)

Kuwahata, K; Tachikawa, M

FEW-BODY SYSTEMS 62 ( 4 ) 2021年12月

ISSN: 0177-7963

DOI
Realization of Anti-Markovnikov Selectivity in Pd-Catalyzed Oxidative Acetalization and Wacker-Type Oxidation of Terminal Alkenes

Ura, Y

CHEMICAL RECORD 21 ( 12 ) 3458 - 3469 2021年12月

ISSN: 1527-8999

DOI
State-Targeting Stabilization of Adenosine A2A Receptor by Fusing a Custom-Made De Novo Designed α-Helical Protein

Mitsumoto, M; Sugaya, K; Kazama, K; Nakano, R; Kosugi, T; Murata, T; Koga, N

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 22 ( 23 ) 2021年12月

ISSN: 1661-6596

DOI
Successive H-atom Addition to Solid OCS on Compact Amorphous Solid Water

Nguyen, T; Oba, Y; Sameera, WMC; Kouchi, A; Watanabe, N

ASTROPHYSICAL JOURNAL 922 ( 2 ) 2021年12月

ISSN: 0004-637X

DOI
Synthesis, Structures, and Properties of Triskelion-Shaped Fluorophores Bearing Coumarins with Nitrogen-Containing Donor Groups

Ueda, M; Kokubun, M; Mazaki, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 12 ) 2906 - 2913 2021年12月

ISSN: 0009-2673

DOI
X-ray emission spectroscopy: a genetic algorithm to disentangle core-hole-induced dynamics

Pettersson, LGM; Takahashi, O

THEORETICAL CHEMISTRY ACCOUNTS 140 ( 12 ) 2021年12月

ISSN: 1432-881X

DOI
Selectivity enhancement in the electrochemical reduction of oxalic acid over titanium dioxide nanoparticles achieved by shape and energy-state control

Eguchi, H; Kato, K; Juhasz, G; Yamauchi, M

CATALYSIS SCIENCE & TECHNOLOGY 11 ( 23 ) 7592 - 7597 2021年11月30日

ISSN: 2044-4753

DOI
Ultrafast control of electronic states by a terahertz electric field pulse in the quasi-one-dimensional organic ferroelectric (TMTTF)2PF6

Asada, K; Miyamoto, T; Yamakawa, H; Hirata, J; Takamura, N; Morimoto, T; Suzuki, K; Otaki, T; Kida, … 全著者表示

PHYSICAL REVIEW B 104 ( 19 ) 2021年11月29日

ISSN: 2469-9950

DOI
Chloride Ions Stabilize Human Adult Hemoglobin in the T-State, Competing with Allosteric Interaction of Oxygen Molecules

Kurisaki, I; Takahashi, Y; Kitamura, Y; Nagaoka, M

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 46 ) 12670 - 12677 2021年11月25日

ISSN: 1520-6106

DOI
Quasi-Homoepitaxial Junction of Organic Semiconductors: A Structurally Seamless but Electronically Abrupt Interface between Rubrene and Bis(trifluoromethyl)dimethylrubrene

Takahashi, K; Izawa, S; Ohtsuka, N; Izumiseki, A; Tsuruta, R; Takeuchi, R; Gunjo, Y; Nakanishi, Y; … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 46 ) 11430 - 11437 2021年11月25日

ISSN: 1948-7185

DOI
Density of gap states in CH3NH3PbI3 single crystals probed with ultrahigh-sensitivity ultraviolet photoelectron spectroscopy

Yang, JP; Yang, MF; Tang, GB; Kera, S

JOURNAL OF PHYSICS-CONDENSED MATTER 33 ( 47 ) 2021年11月24日

ISSN: 0953-8984

DOI
Synthesis and Isolation of a Kinetically Stabilized Crystalline Triangulene

Arikawa, S; Shimizu, A; Shiomi, D; Sato, K; Shintani, R

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 46 ) 19599 - 19605 2021年11月24日

ISSN: 0002-7863

DOI
Crystalline Sponge Method: X-ray Structure Analysis of Small Molecules by Post-Orientation within Porous Crystals-Principle and Proof-of-Concept Studies

Zigon, N; Duplan, V; Wada, N; Fujita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 48 ) 25204 - 25222 2021年11月22日

ISSN: 1433-7851

DOI
Helical Oligophenylene Linked with [2.2]Paracyclophane: Stereogenic π-Conjugated Dye for Highly Emissive Chiroptical Properties

Hasegawa, M; Ishida, Y; Sasaki, H; Ishioka, S; Usui, K; Hara, N; Kitahara, M; Imai, Y; Mazaki, Y

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 65 ) 16225 - 16231 2021年11月22日

ISSN: 0947-6539

DOI
Stepwise Generation of Mono-, Di-, and Triply-Reduced Warped Nanographenes: Charge-Dependent Aromaticity, Surface Nonequivalence, Swing Distortion, and Metal Binding Sites

Spisak, SN; Zhou, Z; Liu, SY; Xu, Q; Wei, Z; Kato, K; Segawa, Y; Itami, K; Rogachev, AY; Petrukhina … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 48 ) 25445 - 25453 2021年11月22日

ISSN: 1433-7851

DOI
Efficient protein incorporation and release by a jigsaw-shaped self-assembling peptide hydrogel for injured brain regeneration

Yaguchi, A; Oshikawa, M; Watanabe, G; Hiramatsu, H; Uchida, N; Hara, C; Kaneko, N; Sawamoto, K; Mur … 全著者表示

NATURE COMMUNICATIONS 12 ( 1 ) 2021年11月19日

DOI
Hybridization of Bogoliubov Quasiparticles between Adjacent CuO2 Layers in the Triple-Layer Cuprate Bi2Sr2Ca2Cu3O10+δ Studied by Angle-Resolved Photoemission Spectroscopy

Ideta, S; Johnston, S; Yoshida, T; Tanaka, K; Mori, M; Anzai, H; Ino, A; Arita, M; Namatame, H; Tan … 全著者表示

PHYSICAL REVIEW LETTERS 127 ( 21 ) 2021年11月19日

ISSN: 0031-9007

DOI
Synthesis of a Mechanically Planar Chiral and Axially Chiral [2]Rotaxane

Tajima, S; Muranaka, A; Naito, M; Taniguch, N; Harada, M; Miyagawa, S; Ueda, M; Takaya, H; Kobayash … 全著者表示

ORGANIC LETTERS 23 ( 22 ) 8678 - 8682 2021年11月19日

ISSN: 1523-7060

DOI
Mechanochemical synthesis of magnesium-based carbon nucleophiles in air and their use in organic synthesis

Takahashi, R; Hu, AQ; Gao, P; Gao, YP; Pang, YD; Seo, T; Jiang, JL; Maeda, S; Takaya, H; Kubota, K; … 全著者表示

NATURE COMMUNICATIONS 12 ( 1 ) 2021年11月18日

DOI
Spherand complexes with Li+ and Na+ ions in the gas phase: encapsulation structure and characteristic unimolecular dissociation

Kida, M; Wada, K; Muramatsu, S; Shang, R; Yamamoto, Y; Inokuchi, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 44 ) 25029 - 25037 2021年11月17日

ISSN: 1463-9076

DOI
Synthesis and structure of a phosphinoboronic ester in a fused bicyclic framework

Kano, N; O'Brien, NJ; Aoki, K; Matsuda, Y; Morofuji, T

DALTON TRANSACTIONS 50 ( 44 ) 16003 - 16012 2021年11月16日

ISSN: 1477-9226

DOI
Coexistence of Interchanged and Normal Orbital Levels in a Molecular Conductor Consisting of a Metal-Dithiolene Complex

Yamamoto, T; Hiraga, D; Arashi, I; Takasugi, K; Naito, T; Uruichi, M; Teshima, F; Tanaka, K; Nomura … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 90 ( 11 ) 2021年11月15日

ISSN: 0031-9015

DOI
Effect of doping distribution on the lasing performance of a cerium-doped lithium calcium aluminum fluoride ultraviolet laser crystal

Cadatal-Raduban, M; Yamanoi, K; Pham, MH; Taniguchi, T; Yu, X; Sarukura, N; Ono, S

JOURNAL OF CRYSTAL GROWTH 574 2021年11月15日

ISSN: 0022-0248

DOI
Enantioselectivity in Ruthenium-Catalyzed Propargylic Substitution Reactions of Propargylic Alcohols with Acetone: A DFT Study

Sakata, K; Goto, Y; Yoshikawa, T; Nishibayashi, Y

CHEMISTRY-AN ASIAN JOURNAL 16 ( 22 ) 3760 - 3766 2021年11月15日

ISSN: 1861-4728

DOI
Modulating chemical composition and work function of suspended reduced graphene oxide membranes through electrochemical reduction

Rodriguez, JSD; Ohigashi, T; Lee, CC; Tsai, MH; Yang, CC; Wang, CH; Chen, C; Pong, WF; Chiu, HC; Ch … 全著者表示

CARBON 185 410 - 418 2021年11月15日

ISSN: 0008-6223

DOI
Multiomics study of a heterotardigrade, Echinisicus testudo, suggests the possibility of convergent evolution of abundant heat-soluble proteins in Tardigrada

Murai, Y; Yagi-Utsumi, M; Fujiwara, M; Tanaka, S; Tomita, M; Kato, K; Arakawa, K

BMC GENOMICS 22 ( 1 ) 2021年11月11日

ISSN: 1471-2164

DOI
Chiral exciplex dyes showing circularly polarized luminescence: extension of the excimer chirality rule

Takaishi, K; Murakami, S; Iwachido, K; Ema, T

CHEMICAL SCIENCE 12 ( 43 ) 14570 - 14576 2021年11月10日

ISSN: 2041-6520

DOI
Fermi surface and band structure of Ti2SnC as observed by angle-resolved photoemission spectroscopy

Pinek, D; Ito, T; Furuta, K; van Bunningen, AJ; Le Fèvre, P; Bertran, F; Ouisse, T

PHYSICAL REVIEW B 104 ( 19 ) 2021年11月10日

ISSN: 2469-9950

DOI
Room-temperature phosphorescence of a supercooled liquid: kinetic stabilisation by desymmetrisation

Komura, M; Ogawa, T; Tani, Y

CHEMICAL SCIENCE 12 ( 43 ) 14363 - 14368 2021年11月10日

ISSN: 2041-6520

DOI
Dirac semimetal phase and switching of band inversion in XMg2Bi2 (X = Ba and Sr)

Takane, D; Kubota, Y; Nakayama, K; Kawakami, T; Yamauchi, K; Souma, S; Kato, T; Sugawara, K; Ideta, … 全著者表示

SCIENTIFIC REPORTS 11 ( 1 ) 2021年11月09日

ISSN: 2045-2322

DOI
Positron Binding and Annihilation Properties of Amino Acid Systems

Ozaki, M; Yoshida, D; Kita, Y; Shimazaki, T; Tachikawa, M

ACS OMEGA 6 ( 44 ) 29449 - 29458 2021年11月09日

ISSN: 2470-1343

DOI
Visualization of reaction route map and dynamical trajectory in reduced dimension

Tsutsumi, T; Ono, Y; Taketsugu, T

CHEMICAL COMMUNICATIONS 57 ( 89 ) 11734 - 11750 2021年11月09日

ISSN: 1359-7345

DOI
Rhodium and Palladium Complexes of N-Heterocyclic Olefin (NHO) Ligand Fused with the 9,10-Dihydro-9,10-ethanoanthracene Framework

Ando, S; Ohara, A; Ohwada, T; Ishizuka, T

ORGANOMETALLICS 40 ( 21 ) 3668 - 3677 2021年11月08日

ISSN: 0276-7333

DOI
Siloxy Esters as Traceless Activators of Carboxylic Acids: Boron-Catalyzed Chemoselective Asymmetric Aldol Reaction**

Fujita, T; Yamane, M; Sameera, WMC; Mitsunuma, H; Kanai, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 46 ) 24598 - 24604 2021年11月08日

ISSN: 1433-7851

DOI
Desiccation-induced fibrous condensation of CAHS protein from an anhydrobiotic tardigrade

Yagi-Utsumi, M; Aoki, K; Watanabe, H; Song, CH; Nishimura, S; Satoh, T; Yanaka, S; Ganser, C; Tanak … 全著者表示

SCIENTIFIC REPORTS 11 ( 1 ) 2021年11月04日

ISSN: 2045-2322

DOI
Molecular Structure and Vibrational Spectra of Water Molecules Sorbed in Poly(2-methoxyethylacrylate) Revealed by Molecular Dynamics Simulation

Yasoshima, N; Ishiyama, T; Gemmei-Ide, M; Matubayasi, N

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 43 ) 12095 - 12103 2021年11月04日

ISSN: 1520-6106

DOI
Ab initio-based approach for the oxidation mechanisms at SiO2/4H-SiC interface: Interplay of dry and wet oxidants during interfacial reaction

Shimizu, T; Akiyama, T; Ito, T; Kageshima, H; Uematsu, M; Shiraishi, K

PHYSICAL REVIEW MATERIALS 5 ( 11 ) 2021年11月03日

ISSN: 2475-9953

DOI
Anthracene-Based Zwitterion with a Small HOMO-LUMO Energy Gap

Kayama, A; Shimizu, A; Shintani, R

SYNTHESIS-STUTTGART 53 ( 21 ) 4042 - 4047 2021年11月03日

ISSN: 0039-7881

DOI
Chromium carbides and cyclopropenylidenes

Kurogi, T; Irifune, K; Takai, K

CHEMICAL SCIENCE 12 ( 42 ) 14281 - 14287 2021年11月03日

ISSN: 2041-6520

DOI
Vectorial insertion of a β-helical peptide into membrane: a theoretical study on polytheonamide B

Kalathingal, M; Sumikama, T; Oiki, S; Saito, S

BIOPHYSICAL JOURNAL 120 ( 21 ) 4786 - 4797 2021年11月02日

ISSN: 0006-3495

DOI
Ab initio study of palladium dichloride PdCl2 and its anion PdCl2-

Kurosaki, Y; Nakanishi, R; Saeki, M; Ohba, H

CHEMICAL PHYSICS 551 2021年11月01日

ISSN: 0301-0104

DOI
Detection of chirality-induced spin polarization over millimeters in polycrystalline bulk samples of chiral disilicides NbSi2 and TaSi2

Shishido, H; Sakai, R; Hosaka, Y; Togawa, Y

APPLIED PHYSICS LETTERS 119 ( 18 ) 2021年11月01日

ISSN: 0003-6951

DOI
Synthesis, structural characterization, and reactivity of a dinuclear cobalt (II) (μ-hydroxo)(μ-pyrazolato) complex based on a hydrotris(pyrazolyl) borate ligand

Komatsuzaki, H; Ohira, K; Tadokoro, S; Yamasaki, Y; Oouchi, H; Satoh, M; Agou, T; Tanaka, Y; Akita, … 全著者表示

INORGANICA CHIMICA ACTA 527 2021年11月01日

ISSN: 0020-1693

DOI
Tetrahedral structure of supercooled water at ambient pressure and its influence on dynamic relaxation: Comparative study of water models

Kuo, YW; Tang, PH; Wang, H; Wu, TM; Saito, S

JOURNAL OF MOLECULAR LIQUIDS 341 2021年11月01日

ISSN: 0167-7322

DOI
Chiral Discrimination of Dansylated Alanine Methyl Ester on a Modified Clay Surface: Vibrational Circular Dichroism Approach

Yamagishi, A; Takimoto, K; Tamura, K; Sato, F; Sato, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 11 ) 2711 - 2717 2021年11月

ISSN: 0009-2673

DOI
Effects of Laser Peening with a Pulse Energy of 1.7 mJ on the Residual Stress and Fatigue Properties of A7075 Aluminum Alloy

Sano, Y; Masaki, K; Mizuta, Y; Tamaki, S; Hosokai, T; Taira, T

METALS 11 ( 11 ) 2021年11月

DOI
Microvalve with Trapezoid-Shaped Cross-Section for Deep Microchannels

Kaminaga, M; Ishida, T; Omata, T

MICROMACHINES 12 ( 11 ) 2021年11月

DOI
Programmable and sequential Gaussian gates in a loop-based single-mode photonic quantum processor

Enomoto, Y; Yonezu, K; Mitsuhashi, Y; Takase, K; Takeda, S

SCIENCE ADVANCES 7 ( 46 ) 2021年11月

ISSN: 2375-2548

DOI
Critical Role of CF3 Groups in the Electronic Stabilization of [PdAu24(CCC6H3 (CF3)2)18]2- as Revealed by Gas-Phase Anion Photoelectron Spectroscopy

Ito, S; Koyasu, K; Takano, S; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 42 ) 10417 - 10421 2021年10月28日

ISSN: 1948-7185

DOI
Hidden Halogen-Bonding Ability of Fluorine Manifesting in the Hydrogen-Bond Configurations of Hydrogen Fluoride

Saito, K; Torii, H

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 42 ) 11742 - 11750 2021年10月28日

ISSN: 1520-6106

DOI
Mechanochemical Reactions of Bis(9-methylphenyl-9-fluorenyl) Peroxides and Their Applications in Cross-Linked Polymers

Lu, Y; Sugita, H; Mikami, K; Aoki, D; Otsuka, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 42 ) 17744 - 17750 2021年10月27日

ISSN: 0002-7863

DOI
Nonergodic dynamics of the one-dimensional Bose-Hubbard model with a trapping potential

Kunimi, M; Danshita, I

PHYSICAL REVIEW A 104 ( 4 ) 2021年10月27日

ISSN: 2469-9926

DOI
Chiroptical switching behavior of heteroleptic ruthenium complexes bearing acetylacetonato and tropolonato ligands

Yoshida, J; Yamazaki, K; Tateyama, K; Yuge, H; Sato, H

DALTON TRANSACTIONS 50 ( 41 ) 14611 - 14617 2021年10月26日

ISSN: 1477-9226

DOI
Crystal Structures and Optical Properties of Cyanine Dyes Depending on Various Counter Anions

Ichijo, K; Kimura, S; Yoshida, T; Yamakado, R; Okada, S

ACS OMEGA 6 ( 42 ) 28421 - 28431 2021年10月26日

ISSN: 2470-1343

DOI
Domain Formation in Charged Polymer Vesicles

Chakraborty, K; Khatua, P; Shinoda, W; Loverde, SM

MACROMOLECULES 54 ( 20 ) 9258 - 9267 2021年10月26日

ISSN: 0024-9297

DOI
Electrochemical hydrogen formation catalysed by a Pd8 string

Tanase, T; Nakamae, K; Miyano, H; Fujisawa, Y; Ura, Y; Nakajima, T

CHEMICAL COMMUNICATIONS 57 ( 85 ) 11264 - 11267 2021年10月26日

ISSN: 1359-7345

DOI
Purified EDEM3 or EDEM1 alone produces determinant oligosaccharide structures from M8B in mammalian glycoprotein ERAD

George, G; Ninagawa, S; Yagi, H; Furukawa, J; Hashii, N; Ishii-Watabe, A; Deng, Y; Matsushita, K; I … 全著者表示

ELIFE 10 2021年10月26日

ISSN: 2050-084X

DOI
An Air- and Water-Stable B4N4-Heteropentalene Serving as a Host Material for a Phosphorescent OLED

Kashida, J; Shoji, Y; Ikabata, Y; Taka, H; Sakai, H; Hasobe, T; Nakai, H; Fukushima, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 44 ) 23812 - 23818 2021年10月25日

ISSN: 1433-7851

DOI
Energy relaxation dynamics of hydrogen-bonded OH vibration conjugated with free OH bond at an air/water interface

Ishiyama, T

JOURNAL OF CHEMICAL PHYSICS 155 ( 15 ) 2021年10月21日

ISSN: 0021-9606

DOI
Hydration-controlled excited-state relaxation in protonated dopamine studied by cryogenic ion spectroscopy

Hirata, K; Kasai, KI; Grégoire, G; Ishiuchi, SI; Fujii, M

JOURNAL OF CHEMICAL PHYSICS 155 ( 15 ) 2021年10月21日

ISSN: 0021-9606

DOI
Secondary Structure and Conformational Stability of the Antigen Residues Making Contact with Antibodies

Qiao, XY; Qu, L; Guo, Y; Hoshino, T

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 41 ) 11374 - 11385 2021年10月21日

ISSN: 1520-6106

DOI
Solid State Characterization of One- and Two-Electron Oxidized CuII-salen Complexes with para-Substituents: Geometric Structure-Magnetic Property Relationship

Takeyama, T; Suzuki, T; Kikuchi, M; Kobayashi, M; Oshita, H; Kawashima, K; Mori, S; Abe, H; Hoshino … 全著者表示

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2021 ( 39 ) 4133 - 4145 2021年10月21日

ISSN: 1434-1948

DOI
Structures of Nitrogen Oxides Attached to Anionic Gold Clusters Au4- Revealed by Infrared Multiple Photon Dissociation Spectroscopy

Yamaguchi, M; Zhang, YF; Lushchikova, O; Bakker, JM; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 41 ) 9040 - 9047 2021年10月21日

ISSN: 1089-5639

DOI
Peptoid-based reprogrammable template for cell-permeable inhibitors of protein-protein interactions

Fukuda, Y; Yokomine, M; Kuroda, D; Tsumoto, K; Morimoto, J; Sando, S

CHEMICAL SCIENCE 12 ( 40 ) 13292 - 13300 2021年10月20日

ISSN: 2041-6520

DOI
DFT Study of α-Keggin-type Iso-polyoxotungstate Anions [HnW12O40](8-n)- (n=1-4): Can [H4W12O40]4- Exist?

Eda, K; Akune, M; Yasuma, C; Hotta, H; Osakai, T; Nakajima, T

INORGANIC CHEMISTRY 60 ( 20 ) 15336 - 15342 2021年10月18日

ISSN: 0020-1669

DOI
Delicate balance among thermal stability, binding affinity, and conformational space explored by single-domain VHH antibodies

Ikeuchi, E; Kuroda, D; Nakakido, M; Murakami, A; Tsumoto, K

SCIENTIFIC REPORTS 11 ( 1 ) 2021年10月18日

ISSN: 2045-2322

DOI
Hemimicelle formation of semi-fluorocarbon chains at air-water interface: coarse-grained molecular dynamics study with an extension of the SPICA force field

Yadav, HOS; Harada, S; Kuo, AT; Urata, S; Shinoda, W

MOLECULAR PHYSICS 119 ( 19-20 ) 2021年10月18日

ISSN: 0026-8976

DOI
Origin of the Aggregation-Induced Phosphorescence of Platinum(II) Complexes: The Role of Metal-Metal Interactions on Emission Decay in the Crystalline State

Inoue, R; Naota, T; Ehara, M

CHEMISTRY-AN ASIAN JOURNAL 16 ( 20 ) 3129 - 3140 2021年10月18日

ISSN: 1861-4728

DOI
Crystal growth and optical properties of Ce-doped (La,Y)2Si2O7 single crystal

Horiai, T; Paterek, J; Pejchal, J; Jarosova, M; Rohlicek, J; Kurosawa, S; Hanada, T; Yoshino, M; Ya … 全著者表示

JOURNAL OF CRYSTAL GROWTH 572 2021年10月15日

ISSN: 0022-0248

DOI
Guaiacol Hydrodeoxygenation over Iron-Ceria Catalysts with Platinum Single-Atom Alloy Clusters as a Promoter

Li, CC; Nakagawa, Y; Yabushita, M; Nakayama, A; Tomishige, K

ACS CATALYSIS 11 ( 20 ) 12794 - 12814 2021年10月15日

ISSN: 2155-5435

DOI
Insights into the electronic structure and mechanism of norcarane hydroxylation by OxoMn(V) porphyrin complexes: A density functional theory study

Ma, ZF; Nakatani, N; Hada, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 42 ( 27 ) 1920 - 1928 2021年10月15日

ISSN: 0192-8651

DOI
Temperature dependence of water cluster on functionalized graphite

Horikawa, T; Yuasa, R; Yoshida, K; Do, DD

CARBON 183 380 - 389 2021年10月15日

ISSN: 0008-6223

DOI
All-atom molecular dynamics study of hepatitis B virus containing pregenome RNA in solution

Fujimoto, K; Yamaguchi, Y; Urano, R; Shinoda, W; Ishikawa, T; Omagari, K; Tanaka, Y; Nakagawa, A; O … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 155 ( 14 ) 2021年10月14日

ISSN: 0021-9606

DOI
Development of a Polarizable Force Field for Molecular Dynamics Simulations of Lithium-Ion Battery Electrolytes: Sulfone-Based Solvents and Lithium Salts

Starovoytov, ON

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 40 ) 11242 - 11255 2021年10月14日

ISSN: 1520-6106

DOI
Protein stabilization and refolding in a gigantic self-assembled cage

Fujita, D; Suzuki, R; Fujii, Y; Yamada, M; Nakama, T; Matsugami, A; Hayashi, F; Weng, JK; Yagi-Utsu … 全著者表示

CHEM 7 ( 10 ) 2672 - 2683 2021年10月14日

ISSN: 2451-9294

DOI
Metal-Peptide Nonafoil Knots and Decafoil Supercoils

Inomata, Y; Sawada, T; Fujita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 40 ) 16734 - 16739 2021年10月13日

ISSN: 0002-7863

DOI
A theoretical study on solvatofluorochromic asymmetric thiazolothiazole (TTz) dyes using dielectric-dependent density functional theory

Shimazaki, T; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 37 ) 21078 - 21086 2021年10月07日

ISSN: 1463-9076

DOI
Conformational Analysis of a Retinal Schiff Base Chromophore in Proteorhodopsin by Raman Optical Activity

Fujisawa, T; Nishikawa, K; Tamogami, J; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 39 ) 9564 - 9568 2021年10月07日

ISSN: 1948-7185

DOI
Influence of N-Substituents on Photovoltaic Properties of Singly Bay-Linked Dimeric Perylene Diimides

Izawa, S; Uchida, K; Nakamura, M; Fujimoto, K; Roudin, J; Lee, JH; Inuzuka, T; Nakamura, T; Sakamot … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 56 ) 14081 - 14091 2021年10月07日

ISSN: 0947-6539

DOI
Nematicity in a cuprate superconductor revealed by angle-resolved photoemission spectroscopy under uniaxial strain

Nakata, S; Horio, M; Koshiishi, K; Hagiwara, K; Lin, C; Suzuki, M; Ideta, S; Tanaka, K; Song, D; Yo … 全著者表示

NPJ QUANTUM MATERIALS 6 ( 1 ) 2021年10月07日

DOI
Quantum-Mechanical Molecular Dynamics Simulations on Secondary Proton Transfer in Bacteriorhodopsin Using Realistic Models

Nakai, H; Takemura, T; Ono, J; Nishimura, Y

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 39 ) 10947 - 10963 2021年10月07日

ISSN: 1520-6106

DOI
Stimuli-Responsive Self-Assembly of π-Conjugated Liquids Triggers Circularly Polarized Luminescence

Ikenaga, A; Akiyama, Y; Ishiyama, T; Gon, M; Tanaka, K; Chujo, Y; Isoda, K

ACS APPLIED MATERIALS & INTERFACES 13 ( 39 ) 47127 - 47133 2021年10月06日

ISSN: 1944-8244

DOI
Theoretical investigation of the enhancement of positron affinity by the vibration and dimerization of non-polar carbon disulfide

Furushima, M; Yoshida, D; Kita, Y; Shimazaki, T; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 38 ) 2021年10月06日

ISSN: 1463-9076

DOI
Enantioselective Vinylogous Mannich Reaction of Acyclic Vinylketene Silyl Acetals with Acyclic Ketimines

Ogura, K; Takehara, T; Suzuki, T; Nakamuraa, S

ADVANCED SYNTHESIS & CATALYSIS 363 ( 19 ) 4544 - 4548 2021年10月05日

ISSN: 1615-4150

DOI
Five-coordinate iridium(III) complex with ΔΛ chirality

Takimoto, K; Watanabe, Y; Yoshida, J; Sato, H

DALTON TRANSACTIONS 50 ( 38 ) 2021年10月05日

ISSN: 1477-9226

DOI
A Tale of Two Isomers: Enhanced Antiaromaticity/Diradical Character versus Deleterious Ring-Opening of Benzofuran-fused s-Indacenes and Dicyclopenta[b,g]naphthalenes

Barker, JE; Price, TW; Karas, LJ; Kishi, R; MacMillan, SN; Zakharov, LN; Gómez-García, CJ; Wu, JI; … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 41 ) 22385 - 22392 2021年10月04日

ISSN: 1433-7851

DOI
Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons**

Fujiyama, K; Kato, N; Re, SY; Kinugasa, K; Watanabe, K; Takita, R; Nogawa, T; Hino, T; Osada, H; Su … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 41 ) 22401 - 22410 2021年10月04日

ISSN: 1433-7851

DOI
Effect of step edges on the adsorption behavior on vicinal AlN(0001) surface during metal-organic vapor phase epitaxy: An ab initio study

Akiyama, T; Ohka, T; Nagai, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 571 2021年10月01日

ISSN: 0022-0248

DOI
Hydrogen Atom Abstraction by Heterogeneous-Homogeneous Hybrid Catalyst of CeO2 and 2-Cyanopyridine via Redox of CeO2 for C-H Bond Oxidation with Air

Tamura, M; Sagawa, E; Nakayama, A; Nakagawa, Y; Tomishige, K

ACS CATALYSIS 11 ( 19 ) 11867 - 11872 2021年10月01日

ISSN: 2155-5435

DOI
Dianion complexes of pyrrole-based anion receptors: [2+1]-Type complexes that form ion-pairing assemblies

Yamakado, R; Maeda, H

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES 25 ( 10N12 ) 1126 - 1132 2021年10月

ISSN: 1088-4246

DOI
Direct electron transfer process of pyrroloquinoline quinone-dependent and flavin adenine dinucleotide-dependent dehydrogenases: Fundamentals and applications

Takeda, K; Nakamura, N

CURRENT OPINION IN ELECTROCHEMISTRY 29 2021年10月

ISSN: 2451-9103

DOI
Dissociative adsorption of NO introduces flexibility in gas phase Rh6+ clusters leading to a rich isomeric distribution

Mafuné, F; Bakker, JM; Kudoh, S

CHEMICAL PHYSICS LETTERS 780 2021年10月

ISSN: 0009-2614

DOI
Distance as coordinate: A distance geometry study on isomerizations of small Lennard-Jones and Au+6 clusters

Yoshida, Y; Sato, H

CHEMICAL PHYSICS LETTERS 780 2021年10月

ISSN: 0009-2614

DOI
Electronic state changes of Cu nanoparticles on rutile TiO2(110) by O2 and CO exposure

Mitsuhara, K; Ide, K; Takatani, H; Hasegawa, Y; Takizawa, M

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 252 2021年10月

ISSN: 0368-2048

DOI
Hydroalkylation of Styrenes with Benzylamines by Potassium Hydride

Pang, JH; Wang, B; Watanabe, K; Takita, R; Chiba, S

HELVETICA CHIMICA ACTA 104 ( 10 ) 2021年10月

ISSN: 0018-019X

DOI
Molecular Confinement Effects by Self-Assembled Coordination Cages

Takezawa, H; Fujita, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 10 ) 2351 - 2369 2021年10月

ISSN: 0009-2673

DOI
Morphology control and synthesis of afterglow materials with a SrAl2O4 framework synthesized by Surfactant-Template and hydrothermal methods

Sera, M; Yamamoto, M; Tomita, K; Yabara, Y; Izawa, S; Hiramoto, M; Nakanishi, T; Yoshida, K; Nishiy … 全著者表示

CHEMICAL PHYSICS LETTERS 780 2021年10月

ISSN: 0009-2614

DOI
Orderly Entangled Nanostructures of Metal-Peptide Strands

Sawada, T; Fujita, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 10 ) 2342 - 2350 2021年10月

ISSN: 0009-2673

DOI
Semi-Synthetic Chlorophyll-Carotenoid Dyad for Dye-Sensitized Photocatalytic Hydrogen Evolution

Liu, YX; Li, YL; Chen, G; Wang, XF; Fujii, R; Yamano, Y; Kitao, O; Nakamura, T; Sasaki, S

ADVANCED MATERIALS INTERFACES 8 ( 20 ) 2021年10月

ISSN: 2196-7350

DOI
Single-Component Molecular Conductors-Multi-Orbital Correlated π-d Electron Systems

Kobayashi, A; Zhou, BA; Takagi, R; Miyagawa, K; Ishibashi, S; Kobayashi, A; Kawamura, T; Nishibori, … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 10 ) 2540 - 2562 2021年10月

ISSN: 0009-2673

DOI
Synthesis, characterization, and reactivity of oxoiron(IV) porphyrin π-cation radical complexes bearing cationic N-methyl-2-pyridinium group

Suzuki, Y; Hada, M; Fujii, H

JOURNAL OF INORGANIC BIOCHEMISTRY 223 2021年10月

ISSN: 0162-0134

DOI
Vibrational circular dichroism of D-amino acid-containing peptide NdWFamide in the crystal form

Yamagishi, H; Sato, H; Kawamura, I

CHIRALITY 33 ( 10 ) 652 - 659 2021年10月

ISSN: 0899-0042

DOI
Double Heterohelicenes Composed of Benzo[b]- and Dibenzo[b,i]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties

Sakamaki, D; Tanaka, S; Tanaka, K; Takino, M; Gon, M; Tanaka, K; Hirose, T; Hirobe, D; Yamamoto, HM … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 38 ) 9283 - 9292 2021年09月30日

ISSN: 1948-7185

DOI
H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O-and D2O-ice Ih(0001) basal surfaces based on the combined plane wave and localized basis set method

Ishimoto, T; Sakagami, H; Kanematsu, Y; Tachikawa, M

APPLIED SURFACE SCIENCE 561 2021年09月30日

ISSN: 0169-4332

DOI
Wilson loop and Wilczek-Zee phase from a non-Abelian gauge field

Sugawa, S; Salces-Carcoba, F; Yue, YC; Putra, A; Spielman, IB

NPJ QUANTUM INFORMATION 7 ( 1 ) 2021年09月30日

DOI
Chemical transformations of [MAu8(PPh3)8]2+ (M = Pt, Pd) and [Au9(PPh3)8]3+ in methanol induced by irradiation of atmospheric pressure plasma

Emori, S; Takano, S; Koyasu, K; Tsukuda, T

JOURNAL OF CHEMICAL PHYSICS 155 ( 12 ) 2021年09月28日

ISSN: 0021-9606

DOI
Direct synthesis of barium titanium oxyhydride for use as a hydrogen permeable electrode

Uchimura, T; Takeiri, F; Okamoto, K; Saito, T; Kamiyama, T; Kobayashi, G

JOURNAL OF MATERIALS CHEMISTRY A 9 ( 36 ) 20371 - 20374 2021年09月28日

ISSN: 2050-7488

DOI
Effects of chain length on Rouse modes and non-Gaussianity in linear and ring polymer melts

Goto, S; Kim, K; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 155 ( 12 ) 2021年09月28日

ISSN: 0021-9606

DOI
Theoretical study of the mechanism of the solvent dependency of ESIPT in HBT

Naka, K; Sato, H; Higashi, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 36 ) 20080 - 20085 2021年09月28日

ISSN: 1463-9076

DOI
A boron-transfer mechanism mediating the thermally induced revival of frustrated carbene-borane pairs from their shelf-stable adducts

Hoshimoto, Y; Sakuraba, M; Kinoshita, T; Ohbo, M; Ratanasak, M; Hasegawa, JY; Ogoshi, S

COMMUNICATIONS CHEMISTRY 4 ( 1 ) 2021年09月27日

ISSN: 2399-3669

DOI
An Element-Substituted Cyclobutadiene Exhibiting High-Energy Blue Phosphorescence

Shoji, Y; Ikabata, Y; Ryzhii, I; Ayub, R; El Bakouri, O; Sato, T; Wang, Q; Miura, T; Karunathilaka, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 40 ) 21817 - 21823 2021年09月27日

ISSN: 1433-7851

DOI
Quantifying the Separation of Positive and Negative Areas in Electrostatic Potential for Predicting Feasibility of Ammonium Sulfate for Protein Crystallization

Guo, Y; Nishida, N; Hoshino, T

JOURNAL OF CHEMICAL INFORMATION AND MODELING 61 ( 9 ) 4571 - 4581 2021年09月27日

ISSN: 1549-9596

DOI
Proliferating coacervate droplets as the missing link between chemistry and biology in the origins of life

Matsuo, M; Kurihara, K

NATURE COMMUNICATIONS 12 ( 1 ) 2021年09月24日

DOI
Exploration of Gas-Liquid Interfaces for Liquid Water and Methanol Using Extreme Ultraviolet Laser Photoemission Spectroscopy

Yamamoto, Y; Ishiyama, T; Morita, A; Suzuki, T

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 37 ) 10514 - 10526 2021年09月23日

ISSN: 1520-6106

DOI
Breakdown of the Stokes-Einstein relation in supercooled liquids: A cage-jump perspective

Pastore, R; Kikutsuji, T; Rusciano, F; Matubayasi, N; Kim, K; Greco, F

JOURNAL OF CHEMICAL PHYSICS 155 ( 11 ) 2021年09月21日

ISSN: 0021-9606

DOI
Synthesis of hydrosilylboronates via the monoborylation of a dihydrosilane Si-H bond and their application for the generation of dialkylhydrosilyl anions

Takeuchi, T; Shishido, R; Kubota, K; Ito, H

CHEMICAL SCIENCE 12 ( 35 ) 11799 - 11804 2021年09月21日

ISSN: 2041-6520

DOI
An Ir3L2 complex with anion binding pockets: photocatalytic E-Z isomerization via molecular recognition

Sunohara, H; Koyamada, K; Takezawa, H; Fujita, M

CHEMICAL COMMUNICATIONS 57 ( 73 ) 9300 - 9302 2021年09月18日

ISSN: 1359-7345

DOI
On-Demand Chirality Transfer of Human Serum Albumin to Bis(thiophen-2-yl)hexafluorocyclopentenes through Their Photochromic Ring Closure

Saeki, Y; Kayanuma, M; Nitta, A; Shigeta, Y; Kawamura, I; Nakagawa, T; Ubukata, T; Yokoyama, Y

JOURNAL OF ORGANIC CHEMISTRY 86 ( 18 ) 12549 - 12558 2021年09月17日

ISSN: 0022-3263

DOI
Anti-Stokes Light Scattering Mediated by Electron Transfer Across a Biased Plasmonic Nanojunction

Liu, SY; Hammud, A; Wolf, M; Kumagai, T

ACS PHOTONICS 8 ( 9 ) 2610 - 2617 2021年09月15日

ISSN: 2330-4022

DOI
Effect of surface structural change on adsorption behavior on InAs wetting layer surface grown on GaAs(001) substrate

Akiyama, T; Yonemoto, K; Hishiki, F; Ito, T

JOURNAL OF CRYSTAL GROWTH 570 2021年09月15日

ISSN: 0022-0248

DOI
Chirality-Induced Spin Polarization over Macroscopic Distances in Chiral Disilicide Crystals

Shiota, K; Inui, A; Hosaka, Y; Amano, R; Onuki, Y; Hedo, M; Nakama, T; Hirobe, D; Ohe, J; Kishine, … 全著者表示

PHYSICAL REVIEW LETTERS 127 ( 12 ) 2021年09月14日

ISSN: 0031-9007

DOI
Optimal control for suppressing wave-packet spreading with strong nonresonant laser pulses

Ohtsuki, Y; Namba, T; Katsuki, H; Ohmori, K

PHYSICAL REVIEW A 104 ( 3 ) 2021年09月14日

ISSN: 2469-9926

DOI
Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules

Maeda, H; Haketa, Y; Murata, T; Ohta, E; Murata, T; Yasuda, N

ORGANIC & BIOMOLECULAR CHEMISTRY 19 ( 34 ) 7369 - 7373 2021年09月14日

ISSN: 1477-0520

DOI
Isomerization of a cis-(2-Borylalkenyl)Gold Complex via a Retro-1,2-Metalate Shift: Cleavage of a C-C/C-Si Bond trans to a C-Au Bond

Suzuki, A; Wu, LN; Lin, ZY; Yamashita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 38 ) 21007 - 21013 2021年09月13日

ISSN: 1433-7851

DOI
Catalytic Functionalization of Hexagonal Boron Nitride for Oxidation and Epoxidation Reactions by Molecular Oxygen

Gao, M; Wang, B; Tsuneda, T; Lyalin, A; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 35 ) 19219 - 19228 2021年09月09日

ISSN: 1932-7447

DOI
Octapalladium Strings Trap C60 and C70 Fullerenes Affording Metal-Chain-Wired Bucky Balls

Tanase, T; Nakamae, K; Kitagawa, Y; Nakajima, T

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 51 ) 12953 - 12958 2021年09月09日

ISSN: 0947-6539

DOI
Dynamic Polymer Free Volume Monitored by Single-Molecule Spectroscopy of a Dual Fluorescent Flapping Dopant

Goto, Y; Omagari, S; Sato, R; Yamakado, T; Achiwa, R; Dey, N; Suga, K; Vacha, M; Saito, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 35 ) 14306 - 14313 2021年09月08日

ISSN: 0002-7863

DOI
Long Carbon-Carbon Bonding beyond 2 Å in Tris(9-fluorenylidene)methane

Kubo, T; Suga, Y; Hashizume, D; Suzuki, H; Miyamoto, T; Okamoto, H; Kishi, R; Nakano, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 35 ) 14360 - 14366 2021年09月08日

ISSN: 0002-7863

DOI
Role of Interfacial Defects in Photoelectrochemical Properties of BiVO4 Coated on ZnO Nanodendrites: X-ray Spectroscopic and Microscopic Investigation

Wang, HT; Chiou, JW; Chen, KH; Shelke, AR; Dong, CL; Lai, CH; Yeh, PH; Du, CH; Lai, CY; Asokan, K; … 全著者表示

ACS APPLIED MATERIALS & INTERFACES 13 ( 35 ) 41524 - 41536 2021年09月08日

ISSN: 1944-8244

DOI
"Bucket brigade'' using lysine residues in RNA-dependent RNA polymerase of SARS-CoV-2

Tanimoto, S; Itoh, SG; Okumura, H

BIOPHYSICAL JOURNAL 120 ( 17 ) 3615 - 3627 2021年09月07日

ISSN: 0006-3495

DOI
Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane

Ando, R; Jin, M; Ito, H

CRYSTENGCOMM 23 ( 33 ) 5564 - 5568 2021年09月07日

DOI
Unusual stoichiometry, band structure and band filling in conducting enantiopure radical cation salts of TM-BEDT-TTF showing helical packing of the donors

Pop, F; Mézière, C; Allain, M; Auban-Senzier, P; Tajima, N; Hirobe, D; Yamamoto, HM; Canadell, E; A … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY C 9 ( 33 ) 10777 - 10786 2021年09月07日

ISSN: 2050-7526

DOI
Dirhodium-Based Supramolecular Framework Catalyst for Visible-Light-Driven Hydrogen Evolution

Chinapang, P; Iwami, H; Enomoto, T; Akai, T; Kondo, M; Masaoka, S

INORGANIC CHEMISTRY 60 ( 17 ) 12634 - 12643 2021年09月06日

ISSN: 0020-1669

DOI
Fused-Nonacyclic Multi-Resonance Delayed Fluorescence Emitter Based on Ladder-Thiaborin Exhibiting Narrowband Sky-Blue Emission with Accelerated Reverse Intersystem Crossing

Nagata, M; Min, H; Watanabe, E; Fukumoto, H; Mizuhata, Y; Tokitoh, N; Agou, T; Yasuda, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 37 ) 20280 - 20285 2021年09月06日

DOI
Spin-Crossover-Triggered Linkage Isomerization by the Pedal-like Motion of the Azobenzene Ligand in a Neutral Heteroleptic Iron(III) Complex

Miyawaki, A; Eda, K; Mochida, T; Sakurai, T; Ohta, H; Nakajima, T; Takahashi, K

INORGANIC CHEMISTRY 60 ( 17 ) 12735 - 12739 2021年09月06日

ISSN: 0020-1669

DOI
An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine

Nakatani, K; Higashi, M; Fukuda, R; Sato, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 42 ( 23 ) 1662 - 1669 2021年09月05日

ISSN: 0192-8651

DOI
Direct and ultrafast probing of quantum many-body interactions through coherent two-dimensional spectroscopy: From weak- to strong-interaction regimes

Phuc, NT; Trung, PQ

PHYSICAL REVIEW B 104 ( 11 ) 2021年09月03日

ISSN: 2469-9950

DOI
A computational study of a reduced dye and its O2 reduction: Implication on H2O2 production with dye-sensitized photocathodes

Kusama, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 418 2021年09月01日

ISSN: 1010-6030

DOI
Atomic-level nature of solid/liquid interface for energy conversion revealed by frequency modulation atomic force microscopy

Minato, T; Umeda, K; Kobayashi, K; Araki, Y; Konishi, H; Ogumi, Z; Abe, T; Onishi, H; Yamada, H

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( SE ) 2021年09月01日

ISSN: 0021-4922

DOI
Bulk-sensitive spin-resolved resonant electron energy-loss spectroscopy (SR-rEELS): Observation of element- and spin-selective bulk plasmons

Kimura, SI; Kawabata, T; Matsumoto, H; Ohta, Y; Yoshizumi, A; Yoshida, Y; Yamashita, T; Watanabe, H … 全著者表示

REVIEW OF SCIENTIFIC INSTRUMENTS 92 ( 9 ) 2021年09月01日

ISSN: 0034-6748

DOI
Photovoltaic behavior of centimeter-long lateral organic junctions

Ithikkal, JP; Girault, A; Kikuchi, M; Yabara, Y; Izawa, S; Hiramoto, M

APPLIED PHYSICS EXPRESS 14 ( 9 ) 2021年09月01日

ISSN: 1882-0778

DOI
Regio- and Stereoselective Synthesis of Multi-Alkylated Allylic Boronates through Three-Component Coupling Reactions between Allenes, Alkyl Halides, and a Diboron Reagent

Ozawa, Y; Endo, K; Ito, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 34 ) 13865 - 13877 2021年09月01日

ISSN: 0002-7863

DOI
Detecting photoelectrons from spontaneously formed excitons

Fukutani, K; Stania, R; Kwon, CI; Kim, JS; Kong, KJ; Kim, J; Yeom, HW

NATURE PHYSICS 17 ( 9 ) 1024 - + 2021年09月

ISSN: 1745-2473

DOI
Dynamic properties of SARS-CoV and SARS-CoV-2 RNA-dependent RNA polymerases studied by molecular dynamics simulations

Itoh, SG; Tanimoto, S; Okumura, H

CHEMICAL PHYSICS LETTERS 778 2021年09月

ISSN: 0009-2614

DOI
Electro-optical and charge transport properties of chalcone derivatives using a dual approach from molecule to material level simulations

Shehzad, RA; Muhammad, S; Chaudhry, AR; Ito, S; Iqbal, J; Khalid, M; Aloui, Z; Xu, HL

COMPUTATIONAL AND THEORETICAL CHEMISTRY 1203 2021年09月

ISSN: 2210-271X

DOI
Elucidation of impact event recorded in the lherzolitic shergottite NWA 7397

Yoshida, M; Miyahara, M; Suga, H; Yamaguchi, A; Tomioka, N; Sakai, T; Ohfuji, H; Maeda, F; Ohira, I … 全著者表示

METEORITICS & PLANETARY SCIENCE 56 ( 9 ) 1729 - 1743 2021年09月

ISSN: 1086-9379

DOI
Experimental and Computational Studies on the Physicochemical Behavior of Phosphine Induced by Reactions with H and D Atoms on Interstellar Ice Grains

Nguyen, T; Oba, Y; Sameera, WMC; Kouchi, A; Watanabe, N

ASTROPHYSICAL JOURNAL 918 ( 2 ) 2021年09月

ISSN: 0004-637X

DOI
Nanographene growth from benzene on Pt(111)

Endo, O; Matsui, F; Chun, WJ; Nakamura, M; Amemiya, K; Ozaki, H

SURFACE SCIENCE 711 2021年09月

ISSN: 0039-6028

DOI
Rapid chiral discrimination of oncometabolite dl-2-hydroxyglutaric acid using derivatization and field asymmetric waveform ion mobility spectrometry/mass spectrometry

Fukui, S; Sugiyama, E; Mizuno, H; Sakane, I; Asakawa, D; Saikusa, K; Nishiya, Y; Amano, Y; Takahara … 全著者表示

JOURNAL OF SEPARATION SCIENCE 44 ( 18 ) 3489 - 3496 2021年09月

ISSN: 1615-9306

DOI
Selenite Downregulates STAT3 Expression and Provokes Lymphocytosis in the Liver of Chronically Exposed Syrian Golden Hamsters

Camacho-Moll, M; Sampayo-Reyes, A; Castorena-Torres, F; Lozano-Garza, G; Alarcón-Galván, G; Hernánd … 全著者表示

MOLECULES 26 ( 18 ) 2021年09月

DOI
Structural and Magnetic Studies on Nickel(II) and Cobalt(II) Complexes with Polychlorinated Diphenyl(4-pyridyl)methyl Radical Ligands

Matsuoka, R; Yoshimoto, T; Kitagawa, Y; Kusamoto, T

MOLECULES 26 ( 18 ) 2021年09月

DOI
Theoretical Study For Positron Binding and Annihilation of Alcohol Clusters A Case Study for Positronic Methanol and Ethanol Dimers

Tachikawa, M; Yoshida, D

FEW-BODY SYSTEMS 62 ( 3 ) 2021年09月

ISSN: 0177-7963

DOI
Derivation of coarse-grained force fields for buckling-induced topological defects of liquid crystals

Sakamoto, M; Hanasaki, I

PHYSICAL REVIEW E 104 ( 2 ) 2021年08月31日

ISSN: 2470-0045

DOI
Control of dominant conduction orbitals by peripheral substituents in paddle-wheel diruthenium alkynyl molecular junctions

Ogawa, S; Chattopadhyay, S; Tanaka, Y; Ohto, T; Tada, T; Tada, H; Fujii, S; Nishino, T; Akita, M

CHEMICAL SCIENCE 12 ( 32 ) 10871 - 10877 2021年08月28日

ISSN: 2041-6520

DOI
Unexpectedly rigid short peptide foldamers in which NH-π and CH-π interactions are preserved in solution

Zhai, LH; Nara, M; Otani, Y; Ohwada, T

CHEMICAL COMMUNICATIONS 57 ( 67 ) 8344 - 8347 2021年08月28日

ISSN: 1359-7345

DOI
Gapped ground state in a spin-1/2 frustrated square lattice

Yamaguchi, H; Uemoto, N; Okubo, T; Kono, Y; Kittaka, S; Sakakibara, T; Yajima, T; Shimono, S; Iwasa … 全著者表示

PHYSICAL REVIEW B 104 ( 6 ) 2021年08月27日

ISSN: 2469-9950

DOI
Solvent Effects in the Ultraviolet and X-ray Absorption Spectra of Pyridazine in Aqueous Solution

Tsuru, S; Sharma, B; Nagasaka, M; Hättig, C

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 33 ) 7198 - 7206 2021年08月26日

ISSN: 1089-5639

DOI
Heterolytic Oxidative Addition of sp2 and sp3 C-H Bonds by Metal-Ligand Cooperation with an Electron-Deficient Cyclopentadienone Iridium Complex

Higashi, T; Kusumoto, S; Nozaki, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 33 ) 12999 - 13004 2021年08月25日

ISSN: 0002-7863

DOI
Protonation-Enhanced Reactivity of Triplet State in Dearomative Photocycloaddition of Quinolines to Olefins

Morofuji, T; Nagai, S; Chitose, Y; Abe, M; Kano, N

ORGANIC LETTERS 23 ( 16 ) 6257 - 6261 2021年08月20日

ISSN: 1523-7060

DOI
Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C60 Monolayer

Sumi, N; Kuklin, AV; Ueno, H; Okada, H; Ogawa, T; Kawachi, K; Kasama, Y; Sasaki, M; Avramov, PV; Åg … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 32 ) 7812 - 7817 2021年08月19日

ISSN: 1948-7185

DOI
Fine Tunable, Redox Active Octapalladium Chains Supported by Linear Tetraphosphines, Leading to Dynamically 1D Self-Assembled Coordination Polymers

Tanase, T; Nakamae, K; Miyano, H; Ura, Y; Kitagawa, Y; Yada, S; Yoshimura, T; Nakajima, T

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 47 ) 12078 - 12103 2021年08月19日

ISSN: 0947-6539

DOI
On the Origin of Gap States in Molecular Semiconductors-A Combined UPS, AFM, and X-ray Diffraction Study

Hagenlocher, J; Scheffczyk, N; Broch, K; Duva, G; Russegger, N; Egenberger, L; Banerjee, R; Kera, S … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 32 ) 17929 - 17938 2021年08月19日

ISSN: 1932-7447

DOI
Database-assisted local unitary transformation method for two-electron integrals in two-component relativistic calculations

Takashima, C; Seino, J; Nakai, H

CHEMICAL PHYSICS LETTERS 777 2021年08月16日

ISSN: 0009-2614

DOI
Ab initio and steady-state models for uranium isotope fractionation in multi-step biotic and abiotic reduction

Sato, A; Bernier-Latmani, R; Hada, M; Abe, M

GEOCHIMICA ET COSMOCHIMICA ACTA 307 212 - 227 2021年08月15日

ISSN: 0016-7037

DOI
A comparative study of [Ag11(iPrS)9(dppb)3]2+ and [Ag15S(sBuS)12(dppb)3]+: templating effect on structure and photoluminescence

Shen, YL; Zhao, P; Jin, JL; Han, J; Liu, C; Liu, Z; Ehara, M; Xie, YP; Lu, X

DALTON TRANSACTIONS 50 ( 30 ) 10561 - 10566 2021年08月14日

ISSN: 1477-9226

DOI
Simultaneous synthesis and characterization of in/out-isomers of disilabicyclo[14.14.14]alkanes

Ikeda, Y; Inagaki, Y; Setaka, W

CHEMICAL COMMUNICATIONS 57 ( 63 ) 7838 - 7841 2021年08月14日

ISSN: 1359-7345

DOI
Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ

Machida, S; Kida, M; Muramatsu, S; Hirao, T; Haino, T; Inokuchi, Y

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 31 ) 6697 - 6702 2021年08月12日

ISSN: 1089-5639

DOI
Chiral Induction in Buckminsterfullerene Using a Metal-Organic Framework

Lo, SW; Kitao, T; Nada, Y; Murata, K; Ishii, K; Uemura, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 33 ) 17947 - 17951 2021年08月09日

ISSN: 1433-7851

DOI
Lithium Hexaphenylrhodate(III) and -Iridate(III): Structure in the Solid State and in Solution

Iwasaki, T; Hirooka, Y; Takaya, H; Honma, T; Nozaki, K

ORGANOMETALLICS 40 ( 15 ) 2489 - 2495 2021年08月09日

ISSN: 0276-7333

DOI
Cyclic monoterpenes trapped in a polyaromatic capsule: unusual selectivity, isomerization, and volatility suppression

Sumida, R; Tanaka, Y; Niki, K; Sei, Y; Toyota, S; Yoshizawa, M

CHEMICAL SCIENCE 12 ( 29 ) 9946 - 9951 2021年08月07日

ISSN: 2041-6520

DOI
Co Single Atoms in ZrO2 with Inherent Oxygen Vacancies for Selective Hydrogenation of CO2 to CO

Dostagir, NHM; Rattanawan, R; Gao, M; Ota, J; Hasegawa, JY; Asakura, K; Fukouka, A; Shrotri, A

ACS CATALYSIS 11 ( 15 ) 9450 - 9461 2021年08月06日

ISSN: 2155-5435

DOI
Combined Computational and Experimental Studies on the Asymmetric Michael Addition of α-Aminomaleimides to β-Nitrostyrenes Using an Organocatalyst Derived from Cinchona Alkaloid

Sakai, N; Kawashima, K; Kajitani, M; Mori, S; Oriyama, T

ORGANIC LETTERS 23 ( 15 ) 5714 - 5718 2021年08月06日

ISSN: 1523-7060

DOI
Generation of Functionalized Alkyl Radicals via the Direct Photoexcitation of 2,2′-(Pyridine-2,6-diyl)diphenol-Based Borates

Miyamoto, Y; Sumida, Y; Ohmiya, H

ORGANIC LETTERS 23 ( 15 ) 5865 - 5870 2021年08月06日

ISSN: 1523-7060

DOI
Sequential Ring-Opening and Ring-Closing Reactions for Converting para-Substituted Pyridines into meta-Substituted Anilines

Morofuji, T; Inagawa, K; Kano, N

ORGANIC LETTERS 23 ( 15 ) 6126 - 6130 2021年08月06日

ISSN: 1523-7060

DOI
Facet-dependent catalytic activity of anatase TiO2 for the selective catalytic reduction of NO with NH3: A dispersion-corrected density functional theory study

Junkaew, A; Ehara, M; Huang, L; Namuangruk, S

APPLIED CATALYSIS A-GENERAL 623 2021年08月05日

ISSN: 0926-860X

DOI
Metamagnetic transitions associated with two antiferromagnetic phases of PrMn1-xSb2 and its magnetic phase diagram

Takahashi, Y; Urata, T; Ikuta, H

PHYSICAL REVIEW B 104 ( 5 ) 2021年08月05日

ISSN: 2469-9950

DOI
Single Crystal Growth of π-Conjugated Large Molecules without Solubilizing Alkyl Chains via the Naphthalene Flux Method

Yanase, T; Tanoguchi, H; Sakai, N; Jin, M; Yamane, I; Kato, M; Ito, H; Nagahama, T; Shimada, T

CRYSTAL GROWTH & DESIGN 21 ( 8 ) 4683 - 4689 2021年08月04日

ISSN: 1528-7483

DOI
Study of Substituted Phenethylamine Fragmentation Induced by Electrospray Ionization Mass Spectrometry and Its Application for Highly Sensitive Analysis of Neurotransmitters in Biological Samples

Asakawa, D; Sugiyama, E; Mizuno, H; Todoroki, K

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 32 ( 8 ) 2144 - 2152 2021年08月04日

ISSN: 1044-0305

DOI
Conformational ensemble of a multidomain protein explored by Gd3+ electron paramagnetic resonance

Saio, T; Hiramatsu, S; Asada, M; Nakagawa, H; Shimizu, K; Kumeta, H; Nakamura, T; Ishimori, K

BIOPHYSICAL JOURNAL 120 ( 15 ) 2943 - 2951 2021年08月03日

ISSN: 0006-3495

DOI
Effective approach for calculating individual energy of step edges on polar AlN(0001) and GaN(0001) surfaces

Akiyama, T; Nakatani, A; Shimizu, T; Ohka, T; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( 8 ) 2021年08月01日

ISSN: 0021-4922

DOI
Theoretical study on role of edge termination for growth direction selectivity in chemical vapor deposition of hBN/graphene heterostructure on Cu surface

Kageshima, H; Wang, S; Hibino, H

APPLIED PHYSICS EXPRESS 14 ( 8 ) 2021年08月01日

ISSN: 1882-0778

DOI
Attenuated Total Reflection-Far-Ultraviolet Spectroscopy and Quantum Chemical Calculations of the Electronic Structure of the Top Surface and Bulk of Polyethylenes with Different Crystallinities

Morisawa, Y; Tanimura, E; Ehara, M; Sato, H

APPLIED SPECTROSCOPY 75 ( 8 ) 971 - 979 2021年08月

ISSN: 0003-7028

DOI
Computational Studies on Reaction Mechanisms and Origin of Stereoselectivity in the [1,3]-Rearrangement of Ene-Aldimines

Momiyama, N; Honda, Y; Suzuki, T; Jongwohan, C

ASIAN JOURNAL OF ORGANIC CHEMISTRY 10 ( 8 ) 2205 - 2212 2021年08月

ISSN: 2193-5807

DOI
Electronic states and relaxation dynamics of Au- centers in RbCl crystals

Yamasuso, S; Kawai, T

JOURNAL OF LUMINESCENCE 236 2021年08月

ISSN: 0022-2313

DOI
Optical properties in the hole-doped Ca8.5Na1.5(Pt3As8)(Fe2As2)5 single crystal

Choi, WJ; Seo, YI; Kimura, S; Kwon, YS

RESULTS IN PHYSICS 27 2021年08月

ISSN: 2211-3797

DOI
Polyoxometalates in Imidazolim-based Ionic Liquids: Acceptor Number and Polarity Estimated from Their Voltammetric Behaviour

Ishida, H; Azuma, S; Yamasaki, N; Kurita, H; Hasegawa, T; Ogo, S; Ueda, T

ANALYTICAL SCIENCES 37 ( 8 ) 1131 - 1137 2021年08月

ISSN: 0910-6340

DOI
Solvent Dependence of the Photoinduced Anion Exchange Reaction of Cesium Lead Halide Perovskite Nanocrystals

Kubo, N; Yamauchi, M; Masuo, S

CHEMISTRY LETTERS 50 ( 8 ) 1483 - 1485 2021年08月

ISSN: 0366-7022

DOI
A Quantitative Interpretation for the Difference of Terahertz Spectra of DL- and L-Alanine: Origins of Infrared Intensities in Terahertz Spectroscopy

Zhang, F; Tominaga, K; Hayashi, M; Tani, M

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 29 ) 16175 - 16182 2021年07月29日

ISSN: 1932-7447

DOI
Density Functional Study on Compounds to Accelerate the Electron Capture Decay of 7Be

Yoshida, A; Abe, M; Hada, M

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 29 ) 6356 - 6361 2021年07月29日

ISSN: 1089-5639

DOI
Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins

Sasano, Y; Tanaka, H; Haketa, Y; Kobayashi, Y; Ishibashi, Y; Morimoto, T; Sato, R; Shigeta, Y; Yasu … 全著者表示

CHEMICAL SCIENCE 12 ( 28 ) 9645 - 9657 2021年07月28日

ISSN: 2041-6520

DOI
Mechanistic study on the reaction of pinB-BMes2 with alkynes based on experimental investigation and DFT calculations: gradual change of mechanism depending on the substituent

Wu, LL; Kojima, C; Lee, KH; Morisako, S; Lin, ZY; Yamashita, M

CHEMICAL SCIENCE 12 ( 28 ) 9806 - 9815 2021年07月28日

ISSN: 2041-6520

DOI
Steric effects on the intramolecular charge transfer fluorescence of benzo[b]thiophene-1,1-dioxide bridged macrocages

Nobuhara, K; Inagaki, Y; Setaka, W

ORGANIC & BIOMOLECULAR CHEMISTRY 19 ( 28 ) 6328 - 6333 2021年07月28日

ISSN: 1477-0520

DOI
A Molecular Hybrid of an Atomically Precise Silver Nanocluster and Polyoxometalates for H2 Cleavage into Protons and Electrons

Yonesato, K; Yamazoe, S; Yokogawa, D; Yamaguchi, K; Suzuki, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 31 ) 16994 - 16998 2021年07月26日

ISSN: 1433-7851

DOI
Mode-Specific Vibrational Analysis of Exciton Delocalization and Structural Dynamics in Conjugated Oligomers

Kim, W; Tahara, S; Kuramochi, H; Takeuchi, S; Kim, T; Tahara, T; Kim, D

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 31 ) 16999 - 17008 2021年07月26日

ISSN: 1433-7851

DOI
Anion solvation enhanced by positive supercharging mutations preserves thermal stability of an antibody in a wide pH range

Kasahara, K; Kuroda, D; Tanabe, A; Kawade, R; Nagatoishi, S; Tsumoto, K

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 563 54 - 59 2021年07月23日

ISSN: 0006-291X

DOI
Structural Investigation of Photochemical Intermediates in Solution by Cold UV Spectroscopy in the Gas Phase: Photosubstitution of Dicyanobenzenes by Allylsilanes

Kitamura, Y; Muramatsu, S; Abe, M; Inokuchi, Y

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 28 ) 6238 - 6245 2021年07月22日

ISSN: 1089-5639

DOI
Iron-catalysed enantioselective carbometalation of azabicycloalkenes

Adak, L; Jin, M; Saito, S; Kawabata, T; Itoh, T; Ito, S; Sharma, AK; Gower, NJ; Cogswell, P; Geldse … 全著者表示

CHEMICAL COMMUNICATIONS 57 ( 57 ) 6975 - 6978 2021年07月21日

ISSN: 1359-7345

DOI
Oxygen vacancy mediated room-temperature ferromagnetism and band gap narrowing in DyFe0.5Cr0.5O3 nanoparticles

Hossain, R; Billah, A; Ishizaki, M; Kubota, S; Hirose, F; Ahmmad, B

DALTON TRANSACTIONS 50 ( 27 ) 9519 - 9528 2021年07月21日

ISSN: 1477-9226

DOI
Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation

Sugiura, S; Maeda, H

CHEMICAL COMMUNICATIONS 57 ( 57 ) 6983 - 6986 2021年07月21日

ISSN: 1359-7345

DOI
Improving the Solubility of Hexanuclear Heterometallic Extended Metal Atom Chain Compounds in Nonpolar Solvents by Introducing Alkyl Amine Moieties

Uemura, K; Yasuda, E; Sugiyama, Y

ACS OMEGA 6 ( 28 ) 18487 - 18503 2021年07月20日

ISSN: 2470-1343

DOI
Potassium Base-Catalyzed Michael Additions of Allylic Alcohols to α,β-Unsaturated Amides: Scope and Mechanistic Insights

Sai, M; Kurouchi, H

ADVANCED SYNTHESIS & CATALYSIS 363 ( 14 ) 3585 - 3591 2021年07月20日

ISSN: 1615-4150

DOI
Positive Charge Introduction on the Surface of Thermostabilized PET Hydrolase Facilitates PET Binding and Degradation

Nakamura, A; Kobayashi, N; Koga, N; Iino, R

ACS CATALYSIS 11 ( 14 ) 8550 - 8564 2021年07月16日

ISSN: 2155-5435

DOI
Stabilization of Bicontinuous Cubic Phase and Its Two-Sided Nature Produced by Use of Siloxane Tails and Introduction of Molecular Nonsymmetry

Kutsumizu, S; Kawafuchi, A; Yamamura, Y; Udagawa, T; Otaki, T; Masuda, M; Miwa, Y; Saito, K

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 40 ) 10293 - 10302 2021年07月16日

ISSN: 0947-6539

DOI
Magnetic Properties under Pressure in Novel Spin-Triplet Superconductor UTe2

Li, DX; Nakamura, A; Honda, F; Sato, YJ; Homma, Y; Shimizu, Y; Ishizuka, J; Yanase, Y; Knebel, G; F … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 90 ( 7 ) 2021年07月15日

ISSN: 0031-9015

DOI
Crystalline thieno[3,2-b]thiophene-dioxide-diyl bridged molecular gyrotops as fluorescent dielectric materials

Hayashi, D; Inagaki, Y; Setaka, W

JOURNAL OF MATERIALS CHEMISTRY C 9 ( 26 ) 8220 - 8225 2021年07月14日

ISSN: 2050-7526

DOI
Dissociation and ionization dynamics of CF3I and CH3I molecules via pump-and-probe experiments using soft x-ray free-electron laser

Gejo, T; Nishie, T; Nagayasu, T; Tanaka, K; Tanaka, Y; Niozu, A; Nagaya, K; Yamamura, R; Futamata, … 全著者表示

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 54 ( 14 ) 2021年07月14日

ISSN: 0953-4075

DOI
Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes

Sukegawa, Y; Sato, K; Fujiwara, W; Katagiri, H; Yokoyama, D

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 26 ) 14242 - 14251 2021年07月14日

ISSN: 1463-9076

DOI
Photocurrent response in parity-time symmetric current-ordered states

Watanabe, H; Yanase, Y

PHYSICAL REVIEW B 104 ( 2 ) 2021年07月13日

ISSN: 2469-9950

DOI
Dipyrrolyldiketone PtII Complexes: Ion-Pairing π-Electronic Systems with Various Anion-Binding Modes

Kuno, A; Hirata, G; Tanaka, H; Kobayashi, Y; Yasuda, N; Maeda, H

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 39 ) 10068 - 10076 2021年07月12日

ISSN: 0947-6539

DOI
Transformation from triple helicene to double helicene embedding adjacent stereogenic carbon atoms and axial stereogenicity

Yubuta, A; Tsurusaki, A; Kamikawa, K

CHEMICAL COMMUNICATIONS 57 ( 54 ) 6600 - 6603 2021年07月11日

ISSN: 1359-7345

DOI
Convenient synthesis of copper(i) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties

Masahara, S; Yokoyama, H; Suzaki, Y; Ide, T

DALTON TRANSACTIONS 50 ( 25 ) 8889 - 8898 2021年07月07日

ISSN: 1477-9226

DOI
Effects of polymers on the cavitating flow around a cylinder: A large-scale molecular dynamics analysis

Asano, Y; Watanabe, H; Noguchi, H

JOURNAL OF CHEMICAL PHYSICS 155 ( 1 ) 2021年07月07日

ISSN: 0021-9606

DOI
Substituent effects in aqueous solutions of carboxylate salts studied by x-ray absorption spectroscopy at the oxygen K-edge

Céolin, D; Yuzawa, H; Saisopa, T; Klaiphet, K; Borsup, J; Songsiriritthigul, P; Kosugi, N

JOURNAL OF CHEMICAL PHYSICS 155 ( 1 ) 2021年07月07日

ISSN: 0021-9606

DOI
Super-reaction: The collective enhancement of a reaction rate by molecular polaritons in the presence of energy fluctuations

Phuc, NT

JOURNAL OF CHEMICAL PHYSICS 155 ( 1 ) 2021年07月07日

ISSN: 0021-9606

DOI
The emergence of intense near-infrared photoluminescence by photoactivation of silver nanoclusters

Ishii, W; Katao, S; Nishikawa, Y; Okajima, Y; Hatori, A; Ehara, M; Kawai, T; Nakashima, T

CHEMICAL COMMUNICATIONS 57 ( 53 ) 6483 - 6486 2021年07月07日

ISSN: 1359-7345

DOI
Tracking Ultrafast Structural Dynamics by Time-Domain Raman Spectroscopy

Kuramochi, H; Tahara, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 26 ) 9699 - 9717 2021年07月07日

ISSN: 0002-7863

DOI
Understanding the scaling of boson peak through insensitivity of elastic heterogeneity to bending rigidity in polymer glasses

Tomoshige, N; Goto, S; Mizuno, H; Mori, T; Kim, K; Matubayasi, N

JOURNAL OF PHYSICS-CONDENSED MATTER 33 ( 27 ) 2021年07月07日

ISSN: 0953-8984

DOI
Organometallic Molecular Wires with Thioacetylene Backbones, trans-{RS-(C≡C)n}2Ru(phosphine)4: High Conductance through Non-Aromatic Bridging Linkers

Yashiro, A; Tanaka, Y; Tada, T; Fujii, S; Nishino, T; Akita, M

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 37 ) 9666 - 9673 2021年07月02日

ISSN: 0947-6539

DOI
Room-Temperature Phosphorescence Emitters Exhibiting Red to Near-Infrared Emission Derived from Intermolecular Charge-Transfer Triplet States of Naphthalenediimide-Halobenzoate Triad Molecules

Ono, T; Kimura, K; Ihara, M; Yamanaka, Y; Sasaki, M; Mori, H; Hisaeda, Y

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 37 ) 9535 - 9541 2021年07月02日

ISSN: 0947-6539

DOI
Single-molecule laser nanospectroscopy with micro-electron volt energy resolution

Imada, H; Imai-Imada, M; Miwa, K; Yamane, H; Iwasa, T; Tanaka, Y; Toriumi, N; Kimura, K; Yokoshi, N … 全著者表示

SCIENCE 373 ( 6550 ) 95 - + 2021年07月02日

ISSN: 0036-8075

DOI
Synthesis and structural confirmation of calibagenin and saxosterol

Watanabe, B; Makino, K; Mizutani, M; Takaya, H

TETRAHEDRON 91 2021年07月02日

ISSN: 0040-4020

DOI
Formation of Cs3Cu2I5 microcrystals in CsI crystals through the aggregation of Cu+ ions

Hirai, T; Kawai, T; Harada, Y; Ohno, N

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( 7 ) 2021年07月01日

ISSN: 0021-4922

DOI
Observation of nonreciprocal superconducting critical field

Miyasaka, Y; Kawarazaki, R; Narita, H; Ando, F; Ikeda, Y; Hisatomi, R; Daido, A; Shiota, Y; Moriyam … 全著者表示

APPLIED PHYSICS EXPRESS 14 ( 7 ) 2021年07月01日

ISSN: 1882-0778

DOI
Projection-type electron spectroscopy collimator analyzer for charged particles and x-ray detections

Matsui, F; Matsuda, H

REVIEW OF SCIENTIFIC INSTRUMENTS 92 ( 7 ) 2021年07月01日

ISSN: 0034-6748

DOI
Solvation shell dynamics of supercritical water-cyclohexane mixtures in relation to the translational and rotational dynamics as studied by molecular dynamics simulation

Yoshida, K; Yoshioka, H

AIP ADVANCES 11 ( 7 ) 2021年07月01日

DOI
Theoretical Study on Singlet Fission Dynamics in Slip-Stack-like Pentacene Ring-Shaped Aggregate Models

Miyamoto, H; Okada, K; Tokuyama, K; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 25 ) 5585 - 5600 2021年07月01日

ISSN: 1089-5639

DOI
A Triad Fluorenone Derivative Bearing Two Imidazole Groups That Switches between Three States by Base and Acid Stimuli

Wang, YT; Maity, N; Zhao, LM; Krämer, M; Hasegawa, JY; Shichibu, Y; Konishi, K; Wang, XY; Song, ZY; … 全著者表示

CHEMISTRY LETTERS 50 ( 7 ) 1363 - 1367 2021年07月

ISSN: 0366-7022

DOI
As-grown Mn3CuN thin films with high crystallinity prepared by dynamic aurora pulsed laser deposition

Kawaguchi, T; Suzuki, J; Sakamoto, N; Suzuki, H; Wakiya, N

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN 129 ( 7 ) 377 - 382 2021年07月

ISSN: 1882-0743

DOI
Construction of CF3-Containing Quaternary Chiral Centers via Michael Addition Reactions

Yamazaki, T; Taketsugi, M; Kawasaki-Takasuka, T; Agou, T; Kubota, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 7 ) 1815 - 1822 2021年07月

ISSN: 0009-2673

DOI
Development of dynamic aurora pulsed laser deposition equipped with reflection high-energy electron diffraction and effects of magnetic fields on room-temperature epitaxial growth of NiO thin film

Kawaguchi, T; Yoshida, M; Sakamoto, N; Shinozaki, K; Suzuki, H; Wakiya, N

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN 129 ( 7 ) 343 - 347 2021年07月

ISSN: 1882-0743

DOI
Efficient Free-energy Calculation of Proton Transfer by Constrained Density Functional Theory and Geometrically Restrained Molecular Dynamics Simulation

Joutsuka, T; Ando, K

CHEMISTRY LETTERS 50 ( 7 ) 1325 - 1328 2021年07月

ISSN: 0366-7022

DOI
Electric Double Layer Doping of Charge-Ordered Insulators α-(BEDT-TTF)2I3 and α-(BETS)2I3

Kawasugi, Y; Masuda, H; Pu, J; Takenobu, T; Yamamoto, HM; Kato, R; Tajima, N

CRYSTALS 11 ( 7 ) 2021年07月

DOI
H/D Isotope Effects in Keto-Enol Tautomerism of β-Dicarbonyl Compounds -Importance of Nuclear Quantum Effects of Hydrogen Nuclei-

Udagawa, T; Murphy, RB; Darwish, TA; Tachikawa, M; Mori, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 7 ) 1954 - 1962 2021年07月

ISSN: 0009-2673

DOI
Key interactions with deazariboflavin cofactor for light-driven energy transfer in Xenopus (6-4) photolyase

Morimoto, A; Hosokawa, Y; Miyamoto, H; Verma, RK; Iwai, S; Sato, R; Yamamoto, J

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 20 ( 7 ) 875 - 887 2021年07月

ISSN: 1474-905X

DOI
Label-free detection of human enteric nerve system using Raman spectroscopy: A pilot study for diagnosis of Hirschsprung disease

Ogawa, K; Oshima, Y; Etoh, T; Kaisyakuji, Y; Tojigamori, M; Ohno, Y; Shiraishi, N; Inomata, M

JOURNAL OF PEDIATRIC SURGERY 56 ( 7 ) 1150 - 1156 2021年07月

ISSN: 0022-3468

DOI
Molecular insights on confined water in the nanochannels of self-assembled ionic liquid crystal

Ishii, Y; Matubayasi, N; Watanabe, G; Kato, T; Washizu, H

SCIENCE ADVANCES 7 ( 31 ) 2021年07月

ISSN: 2375-2548

DOI
Organic matter in carbonaceous chondrite lithologies of Almahata Sitta: Incorporation of previously unsampled carbonaceous chondrite lithologies into ureilitic regolith

Kebukawa, Y; Zolensky, ME; Goodrich, CA; Ito, M; Ogawa, NO; Takano, Y; Ohkouchi, N; Kiryu, K; Igisu … 全著者表示

METEORITICS & PLANETARY SCIENCE 56 ( 7 ) 1311 - 1327 2021年07月

ISSN: 1086-9379

DOI
Photostable Luminescent Triarylmethyl Radicals and Their Metal Complexes: Photofunctions Unique to Open-shell Electronic States

Kusamoto, T; Kimura, S

CHEMISTRY LETTERS 50 ( 7 ) 1445 - 1459 2021年07月

ISSN: 0366-7022

DOI
Potential of mean force and umbrella sampling simulation for the transport of 5-oxazolidinone in heterotetrameric sarcosine oxidase

Yoneda, S; Saito, T; Nakajima, D; Watanabe, G

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 89 ( 7 ) 811 - 818 2021年07月

ISSN: 0887-3585

DOI
Protecting group-free method for synthesis of N-glycosyl carbamates and an assessment of the anomeric effect of nitrogen in the carbamate group

Ichikawa, Y; Kaneno, D; Saeki, N; Minami, T; Masuda, T; Yoshida, K; Kondo, T; Ochi, R

CARBOHYDRATE RESEARCH 505 2021年07月

ISSN: 0008-6215

DOI
Solid-State Room-Temperature Near-Infrared Photoluminescence of a Stable Organic Radical

Matsuoka, R; Kimura, S; Kusamoto, T

CHEMPHOTOCHEM 5 ( 7 ) 669 - 673 2021年07月

ISSN: 2367-0932

DOI
Spontaneous superlattice formation and electrical properties of Sr-excess SrTiO3 thin film deposited on SrTiO3(101) by dynamic aurora pulsed laser deposition

Kawaguchi, T; Kawai, T; Hiraiwa, T; Sakamoto, N; Shinozaki, K; Suzuki, H; Wakiya, N

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN 129 ( 7 ) 390 - 396 2021年07月

ISSN: 1882-0743

DOI
Suppression of the critical current degradation under the compressive stress on the internal reinforcement bronze processed Nb3Sn wire using Cu-Sn-In ternary bronze alloy matrix

Hishinuma, Y; Oguro, H; Taniguchi, H; Awaji, S; Kikuchi, A

FUSION ENGINEERING AND DESIGN 168 2021年07月

ISSN: 0920-3796

DOI
Synthesis and Properties of Fused Extended Tetrathiafulvalene Donors with Dithienylmethylene Spacer and Application to Organic Rechargeable Batteries

Yamauchi, T; Kubo, T; Fujioka, A; Yoshimura, A; Shirahata, T; Miyamoto, H; Yao, M; Misaki, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 7 ) 1940 - 1947 2021年07月

ISSN: 0009-2673

DOI
Temperature-Dependent Electronic Ground-State Charge Transfer in van der Waals Heterostructures

Park, S; Wang, HY; Schultz, T; Shin, D; Ovsyannikov, R; Zacharias, M; Maksimov, D; Meissner, M; Has … 全著者表示

ADVANCED MATERIALS 33 ( 29 ) 2021年07月

ISSN: 0935-9648

DOI
Template Synthesis for Disilamacrocycles via Ring-closing Metathesis

Tu, YY; Inagaki, Y; Kwon, E; Setaka, W

CHEMISTRY LETTERS 50 ( 7 ) 1397 - 1399 2021年07月

ISSN: 0366-7022

DOI
Supramolecular Singlet Fission of Pentacene Dimers within Polyaromatic Capsules

Catti, L; Narita, H; Tanaka, Y; Sakai, H; Hasobe, T; Tkachenko, NV; Yoshizawa, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 25 ) 9361 - 9367 2021年06月30日

ISSN: 0002-7863

DOI
Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(iii) complexes

Jinsenji, Y; Takimoto, K; Yoshida, J; Mori, S; Watanabe, Y; Sato, H

DALTON TRANSACTIONS 50 ( 24 ) 8506 - 8511 2021年06月28日

ISSN: 1477-9226

DOI
Machine learning based prediction of lattice thermal conductivity for half-Heusler compounds using atomic information

Miyazaki, H; Tamura, T; Mikami, M; Watanabe, K; Ide, N; Ozkendir, OM; Nishino, Y

SCIENTIFIC REPORTS 11 ( 1 ) 2021年06月28日

ISSN: 2045-2322

DOI
Structural analyses of Gd3(Al,Ga)5O12 garnet solid solutions via X-ray and UV absorption spectroscopy experiments for Gd atoms

Kitaura, M; Kamada, K; Ina, T; Yamane, H; Ishizaki, M; Watanabe, S; Azuma, J; Yamamoto, I; Ohnishi, … 全著者表示

JOURNAL OF ALLOYS AND COMPOUNDS 867 2021年06月25日

ISSN: 0925-8388

DOI
Synthesis and Properties of Spiro-double Sila[7]helicene: The LUMO Spiro-conjugation

Terada, N; Uematsu, K; Higuchi, R; Tokimaru, Y; Sato, Y; Nakano, K; Nozaki, K

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 36 ) 9342 - 9349 2021年06月25日

ISSN: 0947-6539

DOI
Diversity-oriented synthesis of nanographenes enabled by dearomative annulative π-extension

Matsuoka, W; Ito, H; Sarlah, D; Itami, K

NATURE COMMUNICATIONS 12 ( 1 ) 2021年06月24日

ISSN: 2041-1723

DOI
Role of backbone strain in de novo design of complex α/β protein structures

Koga, N; Koga, R; Liu, GH; Castellanos, J; Montelione, GT; Baker, D

NATURE COMMUNICATIONS 12 ( 1 ) 2021年06月24日

ISSN: 2041-1723

DOI
Optical force mapping at the single-nanometre scale

Yamanishi, J; Yamane, H; Naitoh, Y; Li, YJ; Yokoshi, N; Kameyama, T; Koyama, S; Torimoto, T; Ishiha … 全著者表示

NATURE COMMUNICATIONS 12 ( 1 ) 2021年06月23日

ISSN: 2041-1723

DOI
Distorted Porphyrins with High Stability: Synthesis and Characteristic Electronic Properties of Mono- and Di-Nuclear Tricarbonyl Rhenium Tetraazaporphyrin Complexes

Wang, M; Murata, K; Ishii, K

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 35 ) 8994 - 9002 2021年06月21日

ISSN: 0947-6539

DOI
Label-free monitoring of crystalline chitin hydrolysis by chitinase based on Raman spectroscopy

Ando, J; Kawagoe, H; Nakamura, A; Iino, R; Fujita, K

ANALYST 146 ( 12 ) 4087 - 4094 2021年06月21日

ISSN: 0003-2654

DOI
Transition pathway of hydrogen bond switching in supercooled water analyzed by the Markov state model

Kikutsuji, T; Kim, K; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 154 ( 23 ) 2021年06月21日

ISSN: 0021-9606

DOI
Enantioselective Radical Type, 1,2-Oxytrifluoromethylation of Olefins Catalyzed by Chiral Vanadyl Complexes: Importance of Noncovalent Interactions

Chen, CT; Su, YC; Lu, CH; Lien, CI; Hung, SF; Hsu, CW; Agarwal, R; Modala, R; Tseng, HM; Tseng, PX; … 全著者表示

ACS CATALYSIS 11 ( 12 ) 7160 - 7175 2021年06月18日

ISSN: 2155-5435

DOI
Reply to 'Comment on "Coherent control in the extreme ultraviolet and attosecond regime by synchrotron radiation"'

Hikosaka, Y; Kaneyasu, T; Fujimoto, M; Iwayama, H; Katoh, M

NATURE COMMUNICATIONS 12 ( 1 ) 2021年06月18日

ISSN: 2041-1723

DOI
Analyzing the Role of Surfactants in the Colloidal Stability of Nanoparticles in Oil through Coarse-Grained Molecular Dynamics Simulations

Griffiths, MZ; Shinoda, W

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 23 ) 6315 - 6321 2021年06月17日

ISSN: 1520-6106

DOI
Dissociative Adsorption of N2 onto Size-Selected Tin+ and TinO+ (n ≤ 16) toward Nitrogen Fixation

Ichihashi, M; Hanmura, T; Odaka, H

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 23 ) 5048 - 5053 2021年06月17日

ISSN: 1089-5639

DOI
Structure Dependence of Photoluminescence Solvatochromic Energy Shifts Based on Exciton Localization in Locally Functionalized Single-Walled Carbon Nanotubes

Niidome, Y; Yu, BD; Juhasz, G; Fujigaya, T; Shiraki, T

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 23 ) 12758 - 12766 2021年06月17日

ISSN: 1932-7447

DOI
A Highly Entangled (M3L2)8 Truncated Cube from the Anion-Controlled Oligomerization of a π-Coordinated M3L2 Subunit

Domoto, Y; Abe, M; Fujita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 23 ) 8578 - 8582 2021年06月16日

ISSN: 0002-7863

DOI
Directional Supramolecular Polymerization in a Dynamic Microsolution: A Linearly Moving Polymer's End Striking Monomers

Matoba, S; Kanzaki, C; Yamashita, K; Kusukawa, T; Fukuhara, G; Okada, T; Narushima, T; Okamoto, H; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 23 ) 8731 - 8746 2021年06月16日

ISSN: 0002-7863

DOI
Lattice and Charge Fluctuations in a Molecular Superconductor

Yamamoto, T; Naito, T; Uruichi, M; Akutsu, H; Nakazawa, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 90 ( 6 ) 2021年06月15日

ISSN: 0031-9015

DOI
Possible Spin-Density Wave on Fermi Arc of Edge State in Single-Component Molecular Conductors [Pt(dmdt)2] and [Ni(dmdt)2]

Kawamura, T; Zhou, BA; Kobayashi, A; Kobayashi, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 90 ( 6 ) 2021年06月15日

ISSN: 0031-9015

DOI
Quantum critical phenomena in a spin-1/2 frustrated square lattice with spatial anisotropy

Yamaguchi, H; Iwasaki, Y; Kono, Y; Okubo, T; Miyamoto, S; Hosokoshi, Y; Matsuo, A; Sakakibara, T; K … 全著者表示

PHYSICAL REVIEW B 103 ( 22 ) 2021年06月15日

ISSN: 2469-9950

DOI
Operando atomic force microscopy study of electric double-layer transistors based on ionic liquid/rubrene single crystal interfaces

Morino, Y; Yokota, Y; Bando, K; Hara, H; Imanishi, A; Takeya, J; Fukui, K

APPLIED PHYSICS LETTERS 118 ( 24 ) 2021年06月14日

ISSN: 0003-6951

DOI
Characterization of Benzo[a]naphtho[2,3-f]pentalene: Interrelation between Open-shell and Antiaromatic Characters Governed by Mode of the Quinoidal Subunit and Molecular Symmetry

Konishi, A; Horii, K; Iwasa, H; Okada, Y; Kishi, R; Nakano, M; Yasuda, M

CHEMISTRY-AN ASIAN JOURNAL 16 ( 12 ) 1553 - 1561 2021年06月14日

ISSN: 1861-4728

DOI
Generation and application of Cu-bound alkyl nitrenes for the catalyst-controlled synthesis of cyclic β-amino acids

Tak, RK; Amemiya, F; Noda, H; Shibasaki, M

CHEMICAL SCIENCE 12 ( 22 ) 7809 - 7817 2021年06月14日

ISSN: 2041-6520

DOI
Electronic excitation spectra of organic semiconductor/ionic liquid interface by electrochemical attenuated total reflectance spectroscopy

Tanabe, I; Imoto, I; Okaue, D; Imai, M; Kumagai, S; Makita, T; Mitani, M; Okamoto, T; Takeya, J; Fu … 全著者表示

COMMUNICATIONS CHEMISTRY 4 ( 1 ) 2021年06月11日

ISSN: 2399-3669

DOI
Thermodynamic electric quadrupole moments of nematic phases from first-principles calculations

Kitamura, T; Ishizuka, J; Daido, A; Yanase, Y

PHYSICAL REVIEW B 103 ( 24 ) 2021年06月10日

ISSN: 2469-9950

DOI
Palladium-Catalyzed Regioselective and Stereospecific Ring-Opening Suzuki-Miyaura Arylative Cross-Coupling of 2-Arylazetidines with Arylboronic Acids

Takeda, Y; Toyoda, K; Sameera, WMC; Tohnai, N; Minakata, S

ADVANCED SYNTHESIS & CATALYSIS 363 ( 11 ) 2796 - 2805 2021年06月08日

ISSN: 1615-4150

DOI
Metal Complex Lipids for Fluid-Fluid Phase Separation in Coassembled Phospholipid Membranes

Ohtani, R; Anegawa, Y; Watanabe, H; Tajima, Y; Kinoshita, M; Matsumori, N; Kawano, K; Yanaka, S; Ka … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 24 ) 13603 - 13608 2021年06月07日

ISSN: 1433-7851

DOI
Potassium and sodium ion complexes with a partial peptide of the selectivity filter in K+ channels studied by cold ion trap infrared spectroscopy: the effect of hydration

Negoro, T; Hirata, K; Lisy, JM; Ishiuchi, SI; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 21 ) 12045 - 12050 2021年06月07日

ISSN: 1463-9076

DOI
Algorithm to minimize MPI communications in the parallelized fast multipole method combined with molecular dynamics calculations

Andoh, Y; Ichikawa, S; Sakashita, T; Yoshii, N; Okazaki, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 42 ( 15 ) 1073 - 1087 2021年06月05日

ISSN: 0192-8651

DOI
Significant Solvent Effect on Reactivity of Oxoiron(IV) Porphyrin π-Cation Radical Complex: Activation in n-Alkane Solvent

Ueno, K; Ishimizu, Y; Fujii, H

INORGANIC CHEMISTRY 60 ( 13 ) 9243 - 9247 2021年06月05日

ISSN: 0020-1669

DOI
A comparison of the brittle PMMA with the ductile PC on the elasticity and yielding from a molecular dynamics perspective

Tang, ZY; Fujimoto, K; Okazaki, S

POLYMER 226 2021年06月04日

ISSN: 0032-3861

DOI
Co-CeO2 Interaction Induces the Mars-van Krevelen Mechanism in Dehydrogenation of Ethane

Hosono, Y; Saito, H; Higo, T; Watanabe, K; Ito, K; Tsuneki, H; Maeda, S; Hashimoto, K; Sekine, Y

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 21 ) 11411 - 11418 2021年06月03日

ISSN: 1932-7447

DOI
Bias-dependent diffusion of a H2O molecule on metal surfaces by the first-principles method under the grand-canonical ensemble

Hagiwara, S; Hu, CP; Nishihara, S; Otani, M

PHYSICAL REVIEW MATERIALS 5 ( 6 ) 2021年06月01日

ISSN: 2475-9953

DOI
How mass disorder affects heat conduction in ternary amorphous alloys

Ichikawa, T; Minamitani, E; Shigesato, Y; Kashiwagi, M; Shiga, T

AIP ADVANCES 11 ( 6 ) 2021年06月01日

DOI
A feasibility study of inverse contrast-matching small-angle neutron scattering method combined with size exclusion chromatography using antibody interactions as model systems

Sato, N; Yogo, R; Yanaka, S; Martel, A; Porcar, L; Morishima, K; Inoue, R; Tominaga, T; Arimori, T; … 全著者表示

JOURNAL OF BIOCHEMISTRY 169 ( 6 ) 701 - 708 2021年06月

ISSN: 0021-924X

DOI
Anion ordering enables fast H- conduction at low temperatures

Ubukata, H; Takeiri, F; Shitara, K; Tassel, C; Saito, T; Kamiyama, T; Broux, T; Kuwabara, A; Kobaya … 全著者表示

SCIENCE ADVANCES 7 ( 23 ) 2021年06月

ISSN: 2375-2548

DOI
Calculation study on complex formation of catechins with β-cyclodextrin using density function theory

Ikeda, H; Ohata, T; Yukawa, M; Tsutsumi, H; Fujisawa, M; Aki, H

JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY 100 ( 1-2 ) 99 - 107 2021年06月

ISSN: 1388-3127

DOI
Catalytic Oxidation of Benzyl Alcohol to Benzaldehyde on Au8 and Au6Pd2 Clusters: A DFT Study on the Reaction Mechanism

Kodchasee, J; Chanloi, C; Khemthong, P; Uapipatanakul, B; Ehara, M; Bobuatong, K

CATALYSTS 11 ( 6 ) 2021年06月

DOI
DFT calculation of square MoS2 nanotubes

Zhang, MQ; Weng, MT; Tamura, T; Goto, M; Yamane, I; Yanase, T; Nagahama, T; Shimada, T

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 130 2021年06月

ISSN: 1386-9477

DOI
Elucidation of the Mechanism of Quantum Dot Arrangement Based on Self-Assembly of an Azobenzene Derivative

Kubo, N; Yamauchi, M; Yamamoto, S; Masuo, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 6 ) 1799 - 1803 2021年06月

ISSN: 0009-2673

DOI
IR Intensities of CO Molecules Adsorbed on Atop and Low-Coordinate Sites of Pd Nanoparticles: Analysis Using Natural Perturbation Orbitals

Miyamoto, M; Hada, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 6 ) 1789 - 1793 2021年06月

ISSN: 0009-2673

DOI
Modulation of Self-Assembly Enhances the Catalytic Activity of Iron Porphyrin for CO2 Reduction

Tasaki, M; Okabe, Y; Iwami, H; Akatsuka, C; Kosugi, K; Negita, K; Kusaka, S; Matsuda, R; Kondo, M; … 全著者表示

SMALL 17 ( 22 ) 2021年06月

ISSN: 1613-6810

DOI
Molecular and Crystal Structure of a Chitosan-Zinc Chloride Complex

Yui, T; Uto, T; Ogawa, K

NANOMATERIALS 11 ( 6 ) 2021年06月

DOI
Post-lithium-ion batteries: characterization of phosphorous and tin for potassium-ion anodes

Arabnejad, S; Kojima, M; Yamashita, K

JOURNAL OF MATERIALS SCIENCE 56 ( 18 ) 10926 - 10937 2021年06月

ISSN: 0022-2461

DOI
Stereoselective Enhancement of VCD Signals for Intercalation Compounds of Sodium Montmorillonite and Chiral Metal Complexes

Sato, H; Takimoto, K; Yoshida, J; Yamagishi, A

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 6 ) 1731 - 1736 2021年06月

ISSN: 0009-2673

DOI
Theoretical Analysis of the Heterocyclic [4+2] Cycloaddition Between Pyridinium Ion and Enol Ether

Nakahara, M; Hanaya, K; Sugai, T; Higashibayashi, S

CHEMISTRYOPEN 10 ( 6 ) 627 - 629 2021年06月

ISSN: 2191-1363

DOI
Titanium dioxide thin films as vacuum ultraviolet photoconductive detectors with enhanced photoconductivity by gamma-ray irradiation

Cadatal-Raduban, M; Yamanoi, K; Olejnícek, J; Kohout, M; Kato, S; Horiuchi, Y; Kato, T; Yu, HZ; Sar … 全著者表示

THIN SOLID FILMS 726 2021年05月31日

ISSN: 0040-6090

DOI
Ab initio molecular dynamics study on energy relaxation path of hydrogen-bonded OH vibration in bulk water

Ishiyama, T

JOURNAL OF CHEMICAL PHYSICS 154 ( 20 ) 2021年05月28日

ISSN: 0021-9606

DOI
Lateral depletion effect on two-dimensional ordering of bacteriorhodopsins in a lipid bilayer: A theoretical study based on a binary hard-disk model

Suda, K; Suematsu, A; Akiyama, R

JOURNAL OF CHEMICAL PHYSICS 154 ( 20 ) 2021年05月28日

ISSN: 0021-9606

DOI
Theoretical study on the effect of applying an external static electric field on the singlet fission dynamics of pentacene dimer models

Tonami, T; Sugimori, R; Sakai, R; Tokuyama, K; Miyamoto, H; Nakano, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 20 ) 11624 - 11634 2021年05月28日

ISSN: 1463-9076

DOI
Complex changes in structural parameters hidden in the universal phase diagram of the quasi-one-dimensional organic conductors (TMTTF)2X (X = NbF6, AsF6, PF6, and Br)

Kitou, S; Zhang, LD; Nakamura, T; Sawa, H

PHYSICAL REVIEW B 103 ( 18 ) 2021年05月27日

ISSN: 2469-9950

DOI
Effect of an External DC Electric Field on the Order of Polymer-Capped Gold Nanorods: Formation of Smectic, Tetragonal, and Hexagonal Structures

Fukagawa, T; Tajima, R; Yamaguchi, Y; Tanaka, H; Morikawa, K; Tanaka, S; Hatakeyama, Y; Hino, K

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 20 ) 11085 - 11096 2021年05月27日

ISSN: 1932-7447

DOI
Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents

Thushara, N; Darshani, T; Samarakoon, SR; Perera, IC; Fronczek, FR; Sameera, WMC; Perera, T

RSC ADVANCES 11 ( 29 ) 17658 - 17668 2021年05月27日

DOI
Spatial Control of Charge Doping in n-Type Topological Insulators

Sakamoto, K; Ishikawa, H; Wake, T; Ishimoto, C; Fujii, J; Bentmann, H; Ohtaka, M; Kuroda, K; Inoue, … 全著者表示

NANO LETTERS 21 ( 10 ) 4415 - 4422 2021年05月26日

ISSN: 1530-6984

DOI
A trinuclear chromium(iii) chlorocarbyne

Kurogi, T; Irifune, K; Enoki, T; Takai, K

CHEMICAL COMMUNICATIONS 57 ( 42 ) 5199 - 5202 2021年05月25日

ISSN: 1359-7345

DOI
Short-lived intermediate in N2O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography

Nomura, T; Kimura, T; Kanematsu, Y; Yamada, D; Yamashita, K; Hirata, K; Ueno, G; Murakami, H; Hisan … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 118 ( 21 ) 2021年05月25日

ISSN: 0027-8424

DOI
Analysis of Binding Modes of Antigen-Antibody Complexes by Molecular Mechanics Calculation

Qu, L; Qiao, XY; Qi, F; Nishida, N; Hoshino, T

JOURNAL OF CHEMICAL INFORMATION AND MODELING 61 ( 5 ) 2396 - 2406 2021年05月24日

ISSN: 1549-9596

DOI
Multiple-camera defocus imaging of ultracold atomic gases

Perry, AR; Sugawa, S; Salces-Carcoba, F; Yue, Y; Spielman, IB

OPTICS EXPRESS 29 ( 11 ) 17029 - 17041 2021年05月24日

ISSN: 1094-4087

DOI
Mechanistic study of C-H bond activation by O2 on negatively charged Au clusters: α,β-dehydrogenation of 1-methyl-4-piperidone by supported Au catalysts

Miyazaki, R; Jin, XJ; Yoshii, D; Yatabe, T; Yabe, T; Mizuno, N; Yamaguchi, K; Hasegawa, JY

CATALYSIS SCIENCE & TECHNOLOGY 11 ( 10 ) 3333 - 3346 2021年05月21日

ISSN: 2044-4753

DOI
π-Electronic Ion-Pairing Assemblies of Deprotonation-Induced Anions

Fumoto, N; Haketa, Y; Tanaka, H; Yasuda, N; Maeda, H

ORGANIC LETTERS 23 ( 10 ) 3897 - 3901 2021年05月21日

ISSN: 1523-7060

DOI
Combined MD and QM/MM Investigations of Hydride Reduction of 5α-Dihydrotestosterone Catalyzed by Human 3α-Hydroxysteroid Dehydrogenase Type 3: Importance of Noncovalent Interactions

Mitsuizumi, H; Mori, S

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 19 ) 4998 - 5008 2021年05月20日

ISSN: 1520-6106

DOI
Pressure-induced phase switching of Shubnikov-de Haas oscillations in the molecular Dirac fermion system α-(BETS)2I3

Kawasugi, Y; Masuda, H; Uebe, M; Yamamoto, HM; Kato, R; Nishio, Y; Tajima, N

PHYSICAL REVIEW B 103 ( 20 ) 2021年05月20日

ISSN: 2469-9950

DOI
Role of Water Molecules and Helix Structure Stabilization in the Laser-Induced Disruption of Amyloid Fibrils Observed by Nonequilibrium Molecular Dynamics Simulations

Okumura, H; Itoh, SG; Nakamura, K; Kawasaki, T

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 19 ) 4964 - 4976 2021年05月20日

ISSN: 1520-6106

DOI
Structural basis of the protochromic green/red photocycle of the chromatic acclimation sensor RcaE

Nagae, T; Unno, M; Koizumi, T; Miyanoiri, Y; Fujisawa, T; Masui, K; Kamo, T; Wada, K; Eki, T; Ito, … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 118 ( 20 ) 2021年05月18日

ISSN: 0027-8424

DOI
NaBr-Assisted Photoelectrochemical and Photochemical Integrated Process for Isomerization of Maleate Esters to Fumarate Esters

Tateno, H; Miseki, Y; Kusama, H; Chen, SY; Mochizuki, T; Sayama, K

ACS SUSTAINABLE CHEMISTRY & ENGINEERING 9 ( 19 ) 6886 - 6893 2021年05月17日

ISSN: 2168-0485

DOI
Design and prediction of high potent ansa-zirconocene catalyst for olefin polymerizations: combined DFT calculations and QSPR approach

Ratanasak, M; Hasegawa, JY; Parasuk, V

NEW JOURNAL OF CHEMISTRY 45 ( 18 ) 8248 - 8257 2021年05月14日

ISSN: 1144-0546

DOI
End-functionalization of dithiarubicene: modulation of optoelectronic properties by metal-catalyzed coupling reactions and device application

Tsukamoto, K; Takagi, K; Yamamoto, K; Ie, Y; Fukushima, T

JOURNAL OF MATERIALS CHEMISTRY C 9 ( 18 ) 5920 - 5929 2021年05月14日

ISSN: 2050-7526

DOI
Ligand Effects on the Structures of [Au23L6(CCPh)9]2+ ( L = N-Heterocyclic Carbene vs Phosphine) with Au17 Superatomic Cores

Hirano, K; Takano, S; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 18 ) 9930 - 9936 2021年05月13日

ISSN: 1932-7447

DOI
Atomic Point Contact Raman Spectroscopy of a Si(111)-7 x 7 Surface

Liu, SY; Hammud, A; Wolf, M; Kumagai, T

NANO LETTERS 21 ( 9 ) 4057 - 4061 2021年05月12日

ISSN: 1530-6984

DOI
Improved Skin Permeability after Topical Treatment with Serine Protease: Probing the Penetration of Rapamycin by Scanning Transmission X-ray Microscopy

Germer, G; Ohigashi, T; Yuzawa, H; Kosugi, N; Flesch, R; Rancan, F; Vogt, A; Rühl, E

ACS OMEGA 6 ( 18 ) 12213 - 12222 2021年05月11日

ISSN: 2470-1343

DOI
Poly[glycidyl oligo(oxyethylene)carbamate]s (PGn-EOmR′ and R-PGn-EOmR′): controlled synthesis and effects of molecular parameters (n and m), side groups (R′), and end-groups (R) on thermoresponsive properties

He, TY; Wang, YQ; Xu, L; Fu, XM; Narumi, A; Sato, SI; Shen, XD; Kakuchi, T

POLYMER CHEMISTRY 12 ( 17 ) 2580 - 2591 2021年05月07日

ISSN: 1759-9954

DOI
Conformer Separation of Dibenzo-Crown-Ether Complexes with Na+ and K+ Ions Studied by Cryogenic Ion Mobility-Mass Spectrometry

Ohshimo, K; He, X; Ito, R; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 17 ) 3718 - 3725 2021年05月06日

ISSN: 1089-5639

DOI
Lifetimes of Be32- and Mg32- Cluster Dianions

Davis, JU Jr; Phung, QM; Yanai, T; Ehara, M; Sommerfeld, T

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 17 ) 3579 - 3588 2021年05月06日

ISSN: 1089-5639

DOI
Backbone-Modified C2-Symmetrical Chiral Bisphosphine TMSQuinoxP*: Asymmetric Borylation of Racemic Allyl Electrophiles

Iwamoto, H; Ozawa, Y; Takenouchi, Y; Imamoto, T; Ito, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 17 ) 6413 - 6422 2021年05月05日

ISSN: 0002-7863

DOI
Absence of ferromagnetism in MnBi2Te4/Bi2Te3 down to 6 K

Fukasawa, T; Kusaka, S; Sumida, K; Hashizume, M; Ichinokura, S; Takeda, Y; Ideta, S; Tanaka, K; Shi … 全著者表示

PHYSICAL REVIEW B 103 ( 20 ) 2021年05月04日

ISSN: 2469-9950

DOI
Development of a terahertz wave circular polarizer using a 2D array of metallic helix metamaterial

Tomita, H; Hashimoto, K; Takeya, K; Tripathi, SR

OPTICS LETTERS 46 ( 9 ) 2232 - 2235 2021年05月01日

ISSN: 0146-9592

DOI
Electronic structures and impurity segregation around extended defects in pentacene films: first-principles study

Watanabe, S; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( SB ) 2021年05月01日

ISSN: 0021-4922

DOI
Multi-channel photodissociation and XUV-induced charge transfer dynamics in strong-field-ionized methyl iodide studied with time-resolved recoil-frame covariance imaging

Allum, F; Anders, N; Brouard, M; Bucksbaum, P; Burt, M; Downes-Ward, B; Grundmann, S; Harries, J; I … 全著者表示

FARADAY DISCUSSIONS 228 571 - 596 2021年05月01日

ISSN: 1359-6640

DOI
New types of resonant tunneling currents at Si-p/n junctions: one-dimensional model calculation

Cho, S; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( 5 ) 2021年05月01日

ISSN: 0021-4922

DOI
Reaction of NO molecule at 4H-SiC/SiO2 interface: an ab initio study for the effect of NO annealing after dry oxidation

Shimizu, T; Akiyama, T; Nakamura, K; Ito, T; Kageshima, H; Uematsu, M; Shiraishi, K

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( SB ) 2021年05月01日

ISSN: 0021-4922

DOI
Study on the free corrosion potential at an interface between an Al electrode and an acidic aqueous NaCl solution through density functional theory combined with the reference interaction site model

Kano, K; Hagiwara, S; Igarashi, T; Otani, M

ELECTROCHIMICA ACTA 377 2021年05月01日

ISSN: 0013-4686

DOI
Tetranuclear Rh4 chains supported by meso-Ph2PCH2P(Ph)CH2P(Ph)CH2PPh2(meso-dpmppm) capturing H2 to afford Rh4H3 hydride complexes

Tanase, T; Morita, Y; Sato, K; Aoki, R; Yoshii, A; Nakamae, K; Ura, Y; Nakajima, T

JOURNAL OF ORGANOMETALLIC CHEMISTRY 939 2021年05月01日

ISSN: 0022-328X

DOI
A New Constraint on the Physicochemical Condition of Mars Surface during the Amazonian Epoch Based on Chemical Speciation for Secondary Minerals in Martian Nakhlites

Suga, H; Suzuki, K; Usui, T; Yamaguchi, A; Sekizawa, O; Nitta, K; Takeichi, Y; Ohigashi, T; Takahas … 全著者表示

MINERALS 11 ( 5 ) 2021年05月

DOI
A quantum chemical study of excited states and thermally activated delayed fluorescence in tetracyanoquinodimethane

Iimori, T

COMPUTATIONAL AND THEORETICAL CHEMISTRY 1199 2021年05月

ISSN: 2210-271X

DOI
Detachable expansion fit ultrasonic head with multiple dovetail structures

Mekaru, H; Yano, T

MICROSYSTEM TECHNOLOGIES-MICRO-AND NANOSYSTEMS-INFORMATION STORAGE AND PROCESSING SYSTEMS 27 ( 5 ) 2189 - 2202 2021年05月

ISSN: 0946-7076

DOI
Many-body photoemission theory for organic molecular crystals

Nozaki, M; Haniuda, M; Niki, K; Fujikawa, T; Kera, S

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 249 2021年05月

ISSN: 0368-2048

DOI
Soft X-ray Absorption Spectroscopy for Observing Element-specific Intermolecular Interaction in Solution Chemistry

Nagasaka, M; Kosugi, N

CHEMISTRY LETTERS 50 ( 5 ) 956 - 964 2021年05月

ISSN: 0366-7022

DOI
Solid-state Vibrational Circular Dichroism as Applied for Heterogenous Asymmetric Catalysis: Copper(II) Complexes Immobilized in Montmorillonite

Sato, H; Takimoto, K; Yoshida, J; Watanabe, Y; Yamagishi, A

CHEMISTRY LETTERS 50 ( 5 ) 896 - 898 2021年05月

ISSN: 0366-7022

DOI
Structural Fluctuations of the Human Proteasome α7 Homo-Tetradecamer Double Ring Imply the Proteasomal α-Ring Assembly Mechanism

Song, CH; Satoh, T; Sekiguchi, T; Kato, K; Murata, K

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 22 ( 9 ) 2021年05月

DOI
Photogenerated Radical Pair between Flavin and a Tryptophan-Containing Transmembrane-Type Peptide in a Large Unilamellar Vesicle

Oka, Y; Miura, T; Ikoma, T

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 16 ) 4057 - 4066 2021年04月29日

ISSN: 1520-6106

DOI
Rapid-Scan Time-Resolved ATR-FTIR Study on the Photoassembly of the Water-Oxidizing Mn4CaO5 Cluster in Photosystem II

Sato, A; Nakano, Y; Nakamura, S; Noguchi, T

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 16 ) 4031 - 4045 2021年04月29日

ISSN: 1520-6106

DOI
Theoretical Study on Singlet Fission in Aromatic Diaza s-Indacene Dimers

Nagami, T; Sugimori, R; Sakai, R; Okada, K; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 16 ) 3257 - 3267 2021年04月29日

ISSN: 1089-5639

DOI
Comprehensive characterization of oligosaccharide conformational ensembles with conformer classification by free-energy landscape via reproductive kernel Hilbert space

Watanabe, T; Yagi, H; Yanaka, S; Yamaguchi, T; Kato, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 16 ) 9753 - 9760 2021年04月28日

ISSN: 1463-9076

DOI
Effects of interfaces on structure and dynamics of water droplets on a graphene surface: A molecular dynamics study

Maurya, M; Metya, AK; Singh, JK; Saito, S

JOURNAL OF CHEMICAL PHYSICS 154 ( 16 ) 2021年04月28日

ISSN: 0021-9606

DOI
The [Ag25Cu4H8Br6(CCPh)12(PPh3)12]3+: Ag13H8 silver hydride core protected by [CuAg3(CCPh)3(PPh3)3]+ motifs

Mikami, K; Hui, S; Kubo, K; Kume, S; Mizuta, T

DALTON TRANSACTIONS 50 ( 16 ) 5659 - 5665 2021年04月28日

ISSN: 1477-9226

DOI
Circularly Polarized Luminescence Liquids Based on Siloxybinaphthyls: Best Binaphthyl Dihedral Angle in the Excited State

Takaishi, K; Matsumoto, T; Kawataka, M; Ema, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 18 ) 9968 - 9972 2021年04月26日

ISSN: 1433-7851

DOI
Accessing the Conduction Band Dispersion in CH3NH3PbI3 Single Crystals

Yang, JP; Sato, H; Orio, H; Liu, XJ; Fahlman, M; Ueno, N; Yoshida, H; Yamada, T; Kera, S

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 15 ) 3773 - 3778 2021年04月22日

ISSN: 1948-7185

DOI
Radical-Based Coordination Polymers as a Platform for Magnetoluminescence

Kimura, S; Matsuoka, R; Kimura, S; Nishihara, H; Kusamoto, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 15 ) 5610 - 5615 2021年04月21日

ISSN: 0002-7863

DOI
Theory of polarization-averaged core-level molecular-frame photoelectron angular distributions: II. Extracting the x-ray-induced fragmentation dynamics of carbon monoxide dication from forward and backward intensities

Ota, F; Hatada, K; Sébilleau, D; Ueda, K; Yamazaki, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 54 ( 8 ) 2021年04月21日

ISSN: 0953-4075

DOI
Quantum electrodynamics description of localized surface plasmons at a metal nanosphere

Miwa, K; Schatz, GC

PHYSICAL REVIEW A 103 ( 4 ) 2021年04月20日

ISSN: 2469-9926

DOI
Photocatalytic Giese-Type Reaction with Alkylsilicates Bearing C,O-Bidentate Ligands

Morofuji, T; Matsui, Y; Ohno, M; Ikarashi, G; Kano, N

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 22 ) 6713 - 6718 2021年04月16日

ISSN: 0947-6539

DOI
Quantum chemical calculation studies toward microscopic understanding of retention mechanism of Cs radioisotopes and other alkali metals in lichens

Suno, H; Machida, M; Dohi, T; Ohmura, Y

SCIENTIFIC REPORTS 11 ( 1 ) 2021年04月15日

ISSN: 2045-2322

DOI
Double-Helix Supramolecular Nanofibers Assembled from Negatively Curved Nanographenes

Kato, K; Takaba, K; Maki-Yonekura, S; Mitoma, N; Nakanishi, Y; Nishihara, T; Hatakeyama, T; Kawada, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 14 ) 5465 - 5469 2021年04月14日

ISSN: 0002-7863

DOI
Heme controls the structural rearrangement of its sensor protein mediating the hemolytic bacterial survival

Nishinaga, M; Sugimoto, H; Nishitani, Y; Nagai, S; Nagatoishi, S; Muraki, N; Tosha, T; Tsumoto, K; … 全著者表示

COMMUNICATIONS BIOLOGY 4 ( 1 ) 2021年04月13日

DOI
Path Ensembles for Pin1-Catalyzed Cis-Trans Isomerization of a Substrate Calculated by Weighted Ensemble Simulations

Moritsugu, K; Yamamoto, N; Yonezawa, Y; Tate, S; Fujisaki, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17 ( 4 ) 2522 - 2529 2021年04月13日

ISSN: 1549-9618

DOI
Effect of local geometry on magnetic property of nitric oxide on Au(110)-(1x2)

Koshida, H; Okuyama, H; Hatta, S; Aruga, T; Minamitani, E

PHYSICAL REVIEW B 103 ( 15 ) 2021年04月12日

ISSN: 2469-9950

DOI
Structural dynamics and susceptibility of anti-HIV drugs against HBV reverse transcriptase

Kammarabutr, J; Mahalapbutr, P; Okumura, H; Wolschann, P; Rungrotmongkol, T

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 39 ( 7 ) 2502 - 2511 2021年04月09日

ISSN: 0739-1102

DOI
Femtosecond Charge Density Modulations in Photoexcited CuWO4

Uemura, Y; Ismail, ASM; Park, SH; Kwon, S; Kim, M; Niwa, Y; Wadati, H; Elnaggar, H; Frati, F; Haarm … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 13 ) 7329 - 7336 2021年04月08日

ISSN: 1932-7447

DOI
Insights into Photosynthetic Energy Transfer Gained from Free-Energy Structure: Coherent Transport, Incoherent Hopping, and Vibrational Assistance Revisited

Ishizaki, A; Fleming, GR

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 13 ) 3286 - 3295 2021年04月08日

ISSN: 1520-6106

DOI
Alternating Heterochiral Supramolecular Copolymerization

Ueda, M; Aoki, T; Akiyama, T; Nakamuro, T; Yamashita, K; Yanagisawa, H; Nureki, O; Kikkawa, M; Naka … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 13 ) 5121 - 5126 2021年04月07日

ISSN: 0002-7863

DOI
Fragmentation study of tryptophan-derived metabolites induced by electrospray ionization mass spectrometry for highly sensitive analysis

Asakawa, D; Mizuno, H; Sugiyama, E; Todoroki, K

ANALYST 146 ( 7 ) 2292 - 2300 2021年04月07日

ISSN: 0003-2654

DOI
Lithium-bromine exchange reaction on C60: first theoretical proposal of a stable singlet fullerene carbene without the heteroatom

Li, MY; Zhao, YX; Yuan, K; Han, YB; Zhang, J; Wu, Y; Ehara, M; Nagase, S; Zhao, X

ORGANIC CHEMISTRY FRONTIERS 8 ( 7 ) 1551 - 1562 2021年04月07日

ISSN: 2052-4129

DOI
A jamming plane of sphere packings

Jin, YL; Yoshino, H

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 118 ( 14 ) 2021年04月06日

ISSN: 0027-8424

DOI
Rational thermostabilisation of four-helix bundle dimeric de novo proteins

Irumagawa, S; Kobayashi, K; Saito, Y; Miyata, T; Umetsu, M; Kameda, T; Arai, R

SCIENTIFIC REPORTS 11 ( 1 ) 2021年04月06日

ISSN: 2045-2322

DOI
Energy-based automatic determination of buffer region in the divide-and-conquer second-order Moller-Plesset perturbation theory

Fujimori, T; Kobayashi, M; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 42 ( 9 ) 620 - 629 2021年04月05日

ISSN: 0192-8651

DOI
Tetramethyltetrathiafulvalene [(NbOF4)-]∞: One-Dimensional Charge Transfer Salt with an Infinite Anion Chain

Nakamura, T; Zhang, LD; Kitou, S; Sawa, H

INORGANIC CHEMISTRY 60 ( 7 ) 5206 - 5211 2021年04月05日

ISSN: 0020-1669

DOI
Radiation dose rate effects on the properties of a laser-induced breakdown spectroscopy system developed using a ceramics micro-laser for fiber-optic remote analysis

Tamura, K; Ohba, H; Saeki, M; Taguchi, T; Lim, HH; Taira, T; Wakaida, I

JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY 58 ( 4 ) 405 - 415 2021年04月03日

ISSN: 0022-3131

DOI
Small Figure-Eight Luminophores: Double-Twisted Tethered Cyclic Binaphthyls Boost Circularly Polarized Luminescence

Nojima, Y; Hasegawa, M; Hara, N; Imai, Y; Mazaki, Y

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 19 ) 5923 - 5929 2021年04月01日

ISSN: 0947-6539

DOI
Weak O2 binding and strong H2O2 binding at the non-heme diiron center of trypanosome alternative oxidase

Yamasaki, S; Shoji, M; Kayanuma, M; Sladek, V; Inaoka, DK; Matsuo, Y; Shiba, T; Young, L; Moore, AL … 全著者表示

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1862 ( 4 ) 2021年04月01日

ISSN: 0005-2728

DOI
Electron Dynamics in Molecular Elementary Processes and Chemical Reactions

Takatsuka, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 4 ) 1421 - 1477 2021年04月

ISSN: 0009-2673

DOI
Evaluation of photoluminescence and scintillation properties of Eu-doped 20CsCl-20BaCl2-60ZnCl2 glasses by a melt quenching method

Ito, G; Kimura, H; Shiratori, D; Hashimoto, K; Nakauchi, D; Koshimizu, M; Kato, T; Kawaguchi, N; Ya … 全著者表示

JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS 32 ( 7 ) 8725 - 8732 2021年04月

ISSN: 0957-4522

DOI
Is Oxygen Diffusion Faster in Bulk CeO2 or on a (111)-CeO2 Surface? A Theoretical Study

Sakti, AW; Chou, CP; Nishimura, Y; Nakai, H

CHEMISTRY LETTERS 50 ( 4 ) 568 - 571 2021年04月

ISSN: 0366-7022

DOI
NMR assignments of the N-glycans of the Fc fragment of mouse immunoglobulin G2b glycoprotein

Yanaka, S; Yamaguchi, Y; Takizawa, T; Miyanoiri, Y; Yogo, R; Shimada, I; Kato, K

BIOMOLECULAR NMR ASSIGNMENTS 15 ( 1 ) 187 - 192 2021年04月

ISSN: 1874-2718

DOI
Organic Conductors with Narrow Bandwidth Based on 2-(Pyran-4-ylidene)-1,3-dithiole

Shirahata, T; Ikeda, M; Watadzu, H; Fujiwara, H; Maruyama, T; Yamabe, T; Misaki, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 4 ) 1331 - 1339 2021年04月

ISSN: 0009-2673

DOI
Structural Characterization of Y29F Mutant of Thermoglobin from a Hyperthermophilic Bacterium Aquifex aeolicus

Muraki, N; Takeda, K; Nam, D; Muraki, M; Aono, S

CHEMISTRY LETTERS 50 ( 4 ) 603 - 606 2021年04月

ISSN: 0366-7022

DOI
Structures and Conducting Properties of Molecular Conductors Based on Dimethyl-Substituted DTDA-TTP and DTDH-TTP

Kinoshita, N; Suzuki, K; bin Alias, MS; Shirahata, T; Misaki, Y; Yamada, J

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 4 ) 1273 - 1284 2021年04月

ISSN: 0009-2673

DOI
Systematic Studies on the Effect of Fluorine Atoms in Fluorinated Tolanes on Their Photophysical Properties

Morita, M; Yamada, S; Konno, T

MOLECULES 26 ( 8 ) 2021年04月

DOI
Three-Dimensional Nondestructive Isotope-Selective Tomographic Imaging of 208Pb Distribution via Nuclear Resonance Fluorescence

Ali, K; Zen, HS; Ohgaki, H; Kii, T; Hayakawa, T; Shizuma, T; Toyokawa, H; Fujimoto, M; Taira, Y; Ka … 全著者表示

APPLIED SCIENCES-BASEL 11 ( 8 ) 2021年04月

DOI
A computational method to simulate global conformational changes of proteins induced by cosolvent

Tanimoto, S; Tamura, K; Hayashi, S; Yoshida, N; Nakano, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 42 ( 8 ) 564 - 571 2021年03月30日

ISSN: 0192-8651

DOI
Molecular Dynamics Simulation Study on Allosteric Regulation of CD44-Hyaluronan Binding as a Force Sensing Mechanism

Lintuluoto, M; Horioka, Y; Hongo, S; Lintuluoto, JM; Fukunishi, Y

ACS OMEGA 6 ( 12 ) 8045 - 8055 2021年03月30日

ISSN: 2470-1343

DOI
Controlling avalanche soliton nucleation in a chiral soliton lattice on a monoaxial chiral magnet CrNb3S6 by dynamic strain

Ohkuma, M; Mito, M; Kousaka, Y; Akimitsu, J; Kishine, J; Inoue, K

APPLIED PHYSICS LETTERS 118 ( 13 ) 2021年03月29日

ISSN: 0003-6951

DOI
Perpendicular magnetic anisotropy at the Fe/Au(111) interface studied by Mossbauer, x-ray absorption, and photoemission spectroscopies

Okabayashi, J; Li, ST; Sakai, S; Kobayashi, Y; Mitsui, T; Tanaka, K; Miura, Y; Mitani, S

PHYSICAL REVIEW B 103 ( 10 ) 2021年03月29日

ISSN: 2469-9950

DOI
Self-consistent construction of bridge functional based on the weighted density approximation

Yagi, T; Sato, H

JOURNAL OF CHEMICAL PHYSICS 154 ( 12 ) 2021年03月28日

ISSN: 0021-9606

DOI
Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal-metal interaction

Tanaka, Y; Kato, Y; Sugimoto, K; Kawano, R; Tada, T; Fujii, S; Kiguchi, M; Akita, M

CHEMICAL SCIENCE 12 ( 12 ) 2021年03月28日

ISSN: 2041-6520

DOI
Structure-property relationship in contrasting aggregation-induced enhancement/quenching of emission in rigid aromatic molecules

Tani, Y; Ogawa, T

JOURNAL OF MATERIALS CHEMISTRY C 9 ( 12 ) 4281 - 4288 2021年03月28日

ISSN: 2050-7526

DOI
An Open-shell, Luminescent, Two-Dimensional Coordination Polymer with a Honeycomb Lattice and Triangular Organic Radical

Kimura, S; Uejima, M; Ota, W; Sato, T; Kusaka, S; Matsuda, R; Nishihara, H; Kusamoto, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 11 ) 4329 - 4338 2021年03月24日

ISSN: 0002-7863

DOI
Conductance selectivity of Na+ across the K+ channel via Na+ trapped in a tortuous trajectory

Mita, K; Sumikama, T; Iwamoto, M; Matsuki, Y; Shigemi, K; Oiki, S

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 118 ( 12 ) 2021年03月23日

ISSN: 0027-8424

DOI
Auger decay of the 3d hole in the isoelectronic series of Br, Kr+, and Rb2+

Keskinen, J; Jänkälä, K; Huttula, SM; Kaneyasu, T; Hikosaka, Y; Shigemasa, E; Iwayama, H; Soejima, … 全著者表示

PHYSICAL REVIEW A 103 ( 3 ) 2021年03月22日

ISSN: 2469-9926

DOI
Dimerization of α-Synuclein Fragments Studied by Isothermal-Isobaric Replica-Permutation Molecular Dynamics Simulation

Yamauchi, M; Okumura, H

JOURNAL OF CHEMICAL INFORMATION AND MODELING 61 ( 3 ) 1307 - 1321 2021年03月22日

ISSN: 1549-9596

DOI
Dimesitylborylethynylated Arenes: Unique Electronic and Photophysical Properties Caused by Ethynediyl (C≡C) Spacers

Mishiba, K; Tanaka, Y; Akita, M

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 17 ) 5432 - 5438 2021年03月22日

ISSN: 0947-6539

DOI
Phase stability of Au-Li binary systems studied using neural network potential

Shimizu, K; Arguelles, EF; Li, WW; Ando, Y; Minamitani, E; Watanabe, S

PHYSICAL REVIEW B 103 ( 9 ) 2021年03月22日

ISSN: 2469-9950

DOI
13C NMR chemical shifts in substituted benzenes: analysis using natural perturbation orbitals and substitution effects

Miyamoto, M; Hada, M

MOLECULAR PHYSICS 119 ( 6 ) 2021年03月19日

ISSN: 0026-8976

DOI
Comprehensive Study on Ni- or Ir-Based Alloy Catalysts in the Hydrogenation of Olefins and Mechanistic Insight

Bai, JQ; Tamura, M; Nakayama, A; Nakagawa, Y; Tomishige, K

ACS CATALYSIS 11 ( 6 ) 3293 - 3309 2021年03月19日

ISSN: 2155-5435

DOI
Theoretical study of the H/D isotope effect of CH4/CD4 adsorption on a Rh(111) surface using a combined plane wave and localized basis sets method

Sakagami, H; Tachikawa, M; Ishimoto, T

RSC ADVANCES 11 ( 17 ) 10253 - 10257 2021年03月18日

DOI
Electron Wave Packet Interference in Atomic Inner-Shell Excitation

Kaneyasu, T; Hikosaka, Y; Fujimoto, M; Iwayama, H; Katoh, M

PHYSICAL REVIEW LETTERS 126 ( 11 ) 2021年03月17日

ISSN: 0031-9007

DOI
Spin-projected QM/MM Free Energy Simulations for Oxidation Reaction of Guanine in B-DNA by Singlet Oxygen

Saito, T; Takano, Y

CHEMPHYSCHEM 22 ( 6 ) 561 - 568 2021年03月17日

ISSN: 1439-4235

DOI
Activity correlation among singlet-oxygen quenching, free-radical scavenging and excited-state proton-transfer in hydroxyflavones: Substituent and solvent effects

Nagaoka, S; Bandoh, Y; Matsuhiroya, S; Inoue, K; Nagashima, U; Ohara, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 409 2021年03月15日

ISSN: 1010-6030

DOI
Curved Perylene Diimides Fused with Seven-Membered Rings

Fujimoto, K; Izawa, S; Takahashi, A; Inuzuka, T; Sanada, K; Sakamoto, M; Nakayama, Y; Hiramoto, M; … 全著者表示

CHEMISTRY-AN ASIAN JOURNAL 16 ( 6 ) 690 - 695 2021年03月15日

ISSN: 1861-4728

DOI
Synthesis of nanometer-sized gallium oxide using graphene oxide template as a photocatalyst for carbon dioxide reduction

Sonoda, K; Yamamoto, M; Tanabe, T; Yoshida, T

APPLIED SURFACE SCIENCE 542 2021年03月15日

ISSN: 0169-4332

DOI
Energy relaxation path of excited free OH vibration at an air/water interface revealed by nonequilibrium ab initio molecular dynamics simulation

Ishiyama, T

JOURNAL OF CHEMICAL PHYSICS 154 ( 10 ) 2021年03月14日

ISSN: 0021-9606

DOI
Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex

Kurogi, T; Kuroki, K; Moritani, S; Takai, K

CHEMICAL SCIENCE 12 ( 10 ) 3509 - 3515 2021年03月14日

ISSN: 2041-6520

DOI
Catalytic Asymmetric Carbene Insertion Reactions into B-H Bonds Using a Ru(II)-Pheox Complex

Otog, N; Chanthamath, S; Fujisawa, I; Iwasa, S

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2021 ( 10 ) 1564 - 1567 2021年03月12日

ISSN: 1434-193X

DOI
Transition of Cationic Local Structures in Mg1-xNixAl2O4

Yoshioka, S; Yasuda, K; Matsumura, S; Sugiyama, T; Kobayashi, E

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 9 ) 5269 - 5277 2021年03月11日

ISSN: 1932-7447

DOI
Electrochemical Oxidation Enables Regioselective and Scalable α-C(sp3)-H Acyloxylation of Sulfides

Wang, HM; He, M; Li, YL; Zhang, H; Yang, DL; Nagasaka, M; Lv, ZC; Guan, ZP; Cao, YM; Gong, FP; Zhou … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 143 ( 9 ) 3628 - 3637 2021年03月10日

ISSN: 0002-7863

DOI
Seipin accumulates and traps diacylglycerols and triglycerides in its ring-like structure

Zoni, V; Khaddaj, R; Lukmantara, I; Shinoda, W; Yang, HY; Schneiter, R; Vanni, S

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 118 ( 10 ) 2021年03月09日

ISSN: 0027-8424

DOI
Trajectory Surface Hopping Approach to Condensed-Phase Nonradiative Relaxation Dynamics Using Divide-and-Conquer SpinFlip Time-Dependent Density-Functional Tight Binding

Uratani, H; Yoshikawa, T; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17 ( 3 ) 1290 - 1300 2021年03月09日

ISSN: 1549-9618

DOI
Electrochemical Polymerization Provides a Function-Integrated System for Water Oxidation

Iwami, H; Okamura, M; Kondo, M; Masaoka, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 11 ) 5965 - 5969 2021年03月08日

ISSN: 1433-7851

DOI
Selective catalytic reduction of NO with NH3 over Cu-exchanged CHA, GME, and AFX zeolites: a density functional theory study

Zhao, P; Boekfa, B; Shimizu, K; Ogura, M; Ehara, M

CATALYSIS SCIENCE & TECHNOLOGY 11 ( 5 ) 1780 - 1790 2021年03月07日

ISSN: 2044-4753

DOI
Periodic Anderson model for magnetism and superconductivity in UTe2

Ishizuka, J; Yanase, Y

PHYSICAL REVIEW B 103 ( 9 ) 2021年03月05日

ISSN: 2469-9950

DOI
Selective E to Z isomerization of 1,3-Dienes Enabled by A Dinuclear Mechanism

Kudo, E; Sasaki, K; Kawamata, S; Yamamoto, K; Murahashi, T

NATURE COMMUNICATIONS 12 ( 1 ) 2021年03月05日

ISSN: 2041-1723

DOI
Glycan Cluster Shielding and Antibody Epitopes on Lassa Virus Envelop Protein

Re, S; Mizuguchi, K

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 8 ) 2089 - 2097 2021年03月04日

ISSN: 1520-6106

DOI
Characterization of New DNA Aptamers for Anti-HIV-1 Reverse Transcriptase

Ratanabunyong, S; Aeksiri, N; Yanaka, S; Yagi-Utsumi, M; Kato, K; Choowongkomon, K; Hannongbua, S

CHEMBIOCHEM 22 ( 5 ) 915 - 923 2021年03月02日

ISSN: 1439-4227

DOI
Chiral Octapalladium Chains Supported by Enantiopure P-Stereogenic Linear Tetraphosphines, (R,R)- and (S,S)-Ph2PCH2P(Ph)CH2P(Ph)CH2PPh2

Tanase, T; Nakamae, K; Hayashi, S; Okue, A; Otaki, R; Nishida, T; Ura, Y; Kitagawa, Y; Nakajima, T

INORGANIC CHEMISTRY 60 ( 5 ) 3259 - 3273 2021年03月01日

ISSN: 0020-1669

DOI
Cyclic Heterometallic Interactions formed from a Flexible Tripeptide Complex Showing Effective Antiferromagnetic Spin Coupling

Miyake, R; Suganuma, E; Kimura, S; Mori, H; Okabayashi, J; Kusamoto, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 10 ) 5179 - 5183 2021年03月01日

ISSN: 1433-7851

DOI
Effect of electron transfer on metal-atom penetration into SiO2 in electric field: first-principles study

Nagasawa, R; Oikawa, T; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( 3 ) 2021年03月01日

ISSN: 0021-4922

DOI
Synthesis and Electronic Properties of Directly Linked Dihydrodiazatetracene Dimers

Tanaka, K; Sakamaki, D; Fujiwara, H

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 13 ) 4430 - 4438 2021年03月01日

ISSN: 0947-6539

DOI
Synthesis of Anthracene-Based Cyclic π-Clusters and Elucidation of their Properties Originating from Congested Aromatic Planes

Nishiuchi, T; Kisaka, K; Kubo, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 10 ) 5400 - 5406 2021年03月01日

ISSN: 1433-7851

DOI
Amphiphilic Immobilized Diphenylprolinol Alkyl Ether Catalyst on PS-PEG Resin

Koshino, S; Hattori, S; Hasegawa, S; Haraguchi, N; Yamamoto, T; Suginome, M; Uozumi, Y; Hayashi, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 3 ) 790 - 797 2021年03月

ISSN: 0009-2673

DOI
Catalytic photooxygenation degrades brain Aβ in vivo

Nagashima, N; Ozawa, S; Furuta, M; Oi, M; Hori, Y; Tomita, T; Sohma, Y; Kanai, M

SCIENCE ADVANCES 7 ( 13 ) 2021年03月

ISSN: 2375-2548

DOI
Cold Atmospheric Plasma Modification of Amyloid β

Yagi-Utsumi, M; Tanaka, T; Otsubo, Y; Yamashita, A; Yoshimura, S; Nishida, M; Kato, K

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 22 ( 6 ) 2021年03月

DOI
Exploring the Mesoscopic Morphology in Mussel Adhesive Proteins by Soft X-ray Spectromicroscopy

Higaki, Y; Kamitani, K; Ohigashi, T; Hayakawa, T; Takahara, A

BIOMACROMOLECULES 22 ( 3 ) 1256 - 1260 2021年03月

ISSN: 1525-7797

DOI
Fragmentation pathways of methylbenzoate cations following core excitation: Theoretical approach using graph theory

Futamata, N; Yamamura, R; Ha, DT; Takahashi, O

CHEMICAL PHYSICS LETTERS 766 2021年03月

ISSN: 0009-2614

DOI
Metal-doped carbon nanocones as highly efficient catalysts for hydrogen storage: Nuclear quantum effect on hydrogen spillover mechanism

Yodsin, N; Sakagami, H; Udagawa, T; Ishimoto, T; Jungsuttiwong, S; Tachikawa, M

MOLECULAR CATALYSIS 504 2021年03月

ISSN: 2468-8231

DOI
Synthesis and structural characterization of centrosymmetric multinuclear nickel(II) complexes with neutral tetradentate N6-ligand

Subramaniam, JD; Lee, SK; Chinapang, P; Praneeth, VKK; Okamura, M; Kondo, M; Masaoka, S; Woi, PM

TRANSITION METAL CHEMISTRY 46 ( 3 ) 255 - 262 2021年03月

ISSN: 0340-4285

DOI
Synthesis of a zigzag carbon nanobelt

Cheung, KY; Watanabe, K; Segawa, Y; Itami, K

NATURE CHEMISTRY 13 ( 3 ) 255 - + 2021年03月

ISSN: 1755-4330

DOI
Solvation effects on diffusion processes of a macromolecule: Accuracy required for radial distribution function to calculate diffusion coefficient

Nakamura, Y; Yoshimori, A; Akiyama, R

JOURNAL OF CHEMICAL PHYSICS 154 ( 8 ) 2021年02月28日

ISSN: 0021-9606

DOI
Highly Soluble CsPbBr3 Perovskite Quantum Dots for Solution-Processed Light-Emission Devices

Liu, YF; Tang, S; Fan, JP; Gracia-Espino, E; Yang, JP; Liu, XJ; Kera, S; Fahlman, M; Larsen, C; Wåg … 全著者表示

ACS APPLIED NANO MATERIALS 4 ( 2 ) 1162 - 1174 2021年02月26日

DOI
Aqueous-phase behavior of glyoxal and methylglyoxal observed with carbon and oxygen K-edge X-ray absorption spectroscopy

Michailoudi, G; Lin, JJ; Yuzawa, H; Nagasaka, M; Huttula, M; Kosugi, N; Kurtén, T; Patanen, M; Pris … 全著者表示

ATMOSPHERIC CHEMISTRY AND PHYSICS 21 ( 4 ) 2881 - 2894 2021年02月25日

ISSN: 1680-7316

DOI
Highly Reusable and Active Nanometal-Silicon-Nanowire Array Hybrid Catalysts for Hydrogenation

Baek, H; Sato, T; Uozumi, Y; Yamada, YMA

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2021 ( 8 ) 708 - 712 2021年02月25日

ISSN: 1434-1948

DOI
Chain-End Modification: A Starting Point for Controlling Polymer Crystal Nucleation

Hall, KW; Percec, S; Shinoda, W; Klein, ML

MACROMOLECULES 54 ( 4 ) 1599 - 1610 2021年02月23日

ISSN: 0024-9297

DOI
Theoretical Study of NO Dissociative Adsorption onto 3d Metal Particles M55 (M = Fe, Co, Ni, and Cu): Relation between the Reactivity and Position of the Metal Element in the Periodic Table

Takagi, N; Ehara, M; Sakaki, S

ACS OMEGA 6 ( 7 ) 4888 - 4898 2021年02月23日

ISSN: 2470-1343

DOI
Optimizing Go-MARTINI Coarse-Grained Model for F-BAR Protein on Lipid Membrane

Mahmood, MI; Poma, AB; Okazaki, K

FRONTIERS IN MOLECULAR BIOSCIENCES 8 2021年02月22日

DOI
Synthesis and Determination of Absolute Configuration of Zealexin A1, a Sesquiterpenoid Phytoalexin from Zea mays

Yajima, A; Shimura, M; Saito, T; Katsuta, R; Ishigami, K; Huffaker, A; Schmelz, EA

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2021 ( 7 ) 1174 - 1178 2021年02月19日

ISSN: 1434-193X

DOI
Rethinking Ion Transport by Ionophores: Experimental and Computational Investigation of Single Water Hydration in Valinomycin-K+ Complexes

Sato, E; Hirata, K; Lisy, JM; Ishiuchi, S; Fujii, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 6 ) 1754 - 1758 2021年02月18日

ISSN: 1948-7185

DOI
Oxidation and Storage Mechanisms for Nitrogen Oxides on Variously Terminated (001) Surfaces of SrFeO3-δ and Sr3Fe2O7-δ Perovskites

Takamatsu, A; Tamai, K; Hosokawa, S; Tanaka, T; Ehara, M; Fukuda, R

ACS APPLIED MATERIALS & INTERFACES 13 ( 6 ) 7216 - 7226 2021年02月17日

ISSN: 1944-8244

DOI
Inter- and Intramolecular Cycloaddition Reactions of Ethenetricarboxylates with Styrenes and Halostyrenes

Yamazaki, S; Wang, Z; Iwata, K; Katayama, K; Sugiura, H; Mikata, Y; Morimoto, T; Ogawa, A

SYNTHESIS-STUTTGART 53 ( 04 ) 731 - 753 2021年02月16日

ISSN: 0039-7881

DOI
A ground-state-dominated magnetic field effect on the luminescence of stable organic radicals

Kimura, S; Kimura, S; Kato, K; Teki, Y; Nishihara, H; Kusamoto, T

CHEMICAL SCIENCE 12 ( 6 ) 2025 - 2029 2021年02月14日

ISSN: 2041-6520

DOI
Sulfur poisoning of Pt and PtCo anode and cathode catalysts in polymer electrolyte fuel cells studied by operando near ambient pressure hard X-ray photoelectron spectroscopy

Chaveanghong, S; Nakamura, T; Takagi, Y; Cagnon, B; Uruga, T; Tada, M; Iwasawa, Y; Yokoyama, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 6 ) 3866 - 3873 2021年02月14日

ISSN: 1463-9076

DOI
Atomistic Simulation of the Polymerization Reaction by a (Pyridylamido)hafnium(IV) Catalyst: Counteranion Influence on the Reaction Rate and the Living Character of the Catalytic System

Misawa, N; Suzuki, Y; Matsumoto, K; Saha, S; Koga, N; Nagaoka, M

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 5 ) 1453 - 1467 2021年02月11日

ISSN: 1520-6106

DOI
Bulk Grain-Boundary Materials from Nanocrystals

Nagaoka, Y; Suda, M; Yoon, I; Chen, N; Yang, HJ; Liu, YZ; Anzures, BA; Parman, SW; Wang, ZW; Grünwa … 全著者表示

CHEM 7 ( 2 ) 509 - 525 2021年02月11日

ISSN: 2451-9294

DOI
Experimental Observation of Anisotropic Valence Band Dispersion in Dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene (DNTT) Single Crystals

Takeuchi, R; Izawa, S; Hasegawa, Y; Tsuruta, R; Yamaguchi, T; Meissner, M; Ideta, SI; Tanaka, K; Ke … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 5 ) 2938 - 2943 2021年02月11日

ISSN: 1932-7447

DOI
Role of Intermolecular Charge Fluxes in the Hydrogen-Bond-Induced Frequency Shifts of the OH Stretching Mode of Water

Torii, H; Ukawa, R

JOURNAL OF PHYSICAL CHEMISTRY B 125 ( 5 ) 1468 - 1475 2021年02月11日

ISSN: 1520-6106

DOI
Terahertz-field-induced polar charge order in electronic-type dielectrics

Yamakawa, H; Miyamoto, T; Morimoto, T; Takamura, N; Liang, S; Yoshimochi, H; Terashige, T; Kida, N; … 全著者表示

NATURE COMMUNICATIONS 12 ( 1 ) 2021年02月11日

DOI
A Constant-pH Hybrid Monte Carlo Method with a Configuration Selection Scheme Using the Zero Energy Difference Condition: Elucidation of Molecular Diffusivity Correlated with a pH-Dependent Solvation Shell

Kitamura, Y; Nagaoka, M

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17 ( 2 ) 1030 - 1044 2021年02月09日

ISSN: 1549-9618

DOI
Ab Initio Evaluation of the Redox Potential of Cytochrome c

Cheng, C; Hayashi, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17 ( 2 ) 1194 - 1207 2021年02月09日

ISSN: 1549-9618

DOI
Multidimensional Vibrational Circular Dichroism Apparatus Equipped with Quantum Cascade Laser and Its Use for Investigating Some Peptide Systems Containing D-Amino Acids

Sato, H; Shimizu, M; Watanabe, K; Yoshida, J; Kawamura, I; Koshoubu, J

ANALYTICAL CHEMISTRY 93 ( 5 ) 2742 - 2748 2021年02月09日

ISSN: 0003-2700

DOI
A Design Principle for Polar Assemblies with C3-Sym Bowl-Shaped π-Conjugated Molecules

Zhang, C; Guo, Y; He, D; Komiya, J; Watanabe, G; Ogaki, T; Wang, CY; Nihonyanagi, A; Inuzuka, H; Go … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 6 ) 3261 - 3267 2021年02月08日

ISSN: 1433-7851

DOI
Single Platinum Atom Doping to Silver Clusters Enables Near-Infrared-to-Blue Photon Upconversion

Niihori, Y; Wada, Y; Mitsui, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 6 ) 2822 - 2827 2021年02月08日

ISSN: 1433-7851

DOI
Umpolung of B-H Bonds by Metal-Ligand Cooperation with Cyclopentadienone Iridium Complexes

Higashi, T; Kusumoto, S; Nozaki, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 6 ) 2844 - 2848 2021年02月08日

ISSN: 1433-7851

DOI
Doubly Strapped Redox-Switchable 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoids: Promising Platforms for the Evaluation of Paratropic and Diatropic Ring-Current Effects

Ochiai, H; Furukawa, K; Nakano, H; Matano, Y

JOURNAL OF ORGANIC CHEMISTRY 86 ( 3 ) 2283 - 2296 2021年02月05日

ISSN: 0022-3263

DOI
Structure and Dynamics of Crystalline Molecular Gyrotops with a Difluorophenylene Rotor

Tsuchiya, T; Inagaki, Y; Yamaguchi, K; Setaka, W

JOURNAL OF ORGANIC CHEMISTRY 86 ( 3 ) 2423 - 2430 2021年02月05日

ISSN: 0022-3263

DOI
Stabilization of Charge-Transfer States in Pentacene Crystals and Its Role in Singlet Fission

Nagami, T; Miyamoto, H; Sakai, R; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 4 ) 2264 - 2275 2021年02月04日

ISSN: 1932-7447

DOI
Bond Directional Anapole Order in a Spin-Orbit Coupled Mott Insulator Sr2(Ir1-xRhx)O4

Murayama, H; Ishida, K; Kurihara, R; Ono, T; Sato, Y; Kasahara, Y; Watanabe, H; Yanase, Y; Cao, G; … 全著者表示

PHYSICAL REVIEW X 11 ( 1 ) 2021年02月02日

ISSN: 2160-3308

DOI
Theoretical Study on Third-Order Nonlinear Optical Properties for One-Hole-Doped Diradicaloids

Yoshida, W; Matsui, H; Miyamoto, H; Tonami, T; Sugimori, R; Yoneda, K; Kishi, R; Nakano, M

ACS OMEGA 6 ( 4 ) 3046 - 3059 2021年02月02日

ISSN: 2470-1343

DOI
Extending correlation functions of molecular dynamics simulation by Kovalenko-Hirata and Kobryn-Gusarov-Kovalenko closures for monatomic Lennard-Jones solvent and its application to a calculation of solvation

Miyata, T; Nishida, S; Ogasawara, Y

AIP ADVANCES 11 ( 2 ) 2021年02月01日

DOI
Mechanistic Studies on Photoinduced Catalytic Olefin Migration Reactions at the Pd(II) Centers of a Porous Crystal, Metal-Macrocycle Framework

Yonezawa, H; Shiraogawa, T; Han, MY; Tashiro, S; Ehara, M; Shionoya, M

CHEMISTRY-AN ASIAN JOURNAL 16 ( 3 ) 202 - 206 2021年02月01日

ISSN: 1861-4728

DOI
Photochemical Water Oxidation Using a Doubly N-Confused Hexaphyrin Dinuclear Cobalt Complex

Nakazono, T; Wada, T

INORGANIC CHEMISTRY 60 ( 3 ) 1284 - 1288 2021年02月01日

ISSN: 0020-1669

DOI
Study on the specific heat of Y3Al5O12 between 129 K and 573 K

Sato, Y; Taira, T

OPTICAL MATERIALS EXPRESS 11 ( 2 ) 551 - 558 2021年02月01日

ISSN: 2159-3930

DOI
Ab initio MRCI study on potential energy surfaces for double Cl loss from the palladium tetrachloride anion PdCl42-

Kurosaki, Y; Nakanishi, R; Saeki, M; Ohba, H

CHEMICAL PHYSICS LETTERS 764 2021年02月

ISSN: 0009-2614

DOI
AFX Zeolite for Use as a Support of NH3-SCR Catalyst Mining through AICE Joint Research Project of Industries-Academia-Academia

Ogura, M; Shimada, Y; Ohnishi, T; Nakazawa, N; Kubota, Y; Yokoi, T; Ehara, M; Shimizu, K; Tsunoji, N

CATALYSTS 11 ( 2 ) 2021年02月

DOI
Linear Momentum of a Microfluid Realizes an Anisotropic Reaction at the Ends of a Supramolecular Nanofiber

Kanzaki, C; Matoba, S; Inagawa, A; Fukuhara, G; Okada, T; Narushima, T; Okamoto, H; Numata, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 2 ) 579 - 589 2021年02月

ISSN: 0009-2673

DOI
Sample Length Dependence of Magnetic Moment Detected by a SQUID Magnetometer Using Nickel Cylinders

Matsumoto, N; Dennis, CL; Shull, RD

IEEE TRANSACTIONS ON MAGNETICS 57 ( 2 ) 2021年02月

ISSN: 0018-9464

DOI
De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network

Tashiro, M; Imamura, Y; Katouda, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 42 ( 3 ) 136 - 143 2021年01月30日

ISSN: 0192-8651

DOI
A theoretical investigation into the role of catalyst support and regioselectivity of molecular adsorption on a metal oxide surface: NO reduction on Cu/γ-alumina

Ota, W; Kojima, Y; Hosokawa, S; Teramura, K; Tanaka, T; Sato, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 4 ) 2021年01月28日

ISSN: 1463-9076

DOI
Stabilities, Electronic Structures, and Bonding Properties of 20-Electron Transition Metal Complexes (Cp)2TMO and their One-Dimensional Sandwich Molecular Wires (Cp = C5H5, C5(CH3)H4, C5(CH3)5; TM = Cr, Mo, W)

Xu, S; Li, MY; Pei, GR; Zhao, P; Zhao, XT; Wu, GC; Kong, CC; Yang, ZM; Ehara, M; Yang, T

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 3 ) 721 - 730 2021年01月28日

ISSN: 1089-5639

DOI
Higher-order structure of polymer melt described by persistent homology

Shimizu, Y; Kurokawa, T; Arai, H; Washizu, H

SCIENTIFIC REPORTS 11 ( 1 ) 2021年01月26日

ISSN: 2045-2322

DOI
Analysis of Interconversion between Atropisomers of Chiral Substituted 9,9'-Bicarbazole

Kobayashi, T; Ishiwari, F; Fukushima, T; Hanaya, K; Sugai, T; Higashibayashi, S

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2021 ( 3 ) 449 - 451 2021年01月22日

ISSN: 1434-193X

DOI
Ambient-pressure Dirac electron system in the quasi-two-dimensional molecular conductor α-(BETS)2I3

Kitou, S; Tsumuraya, T; Sawahata, H; Ishii, F; Hiraki, K; Nakamura, T; Katayama, N; Sawa, H

PHYSICAL REVIEW B 103 ( 3 ) 2021年01月21日

ISSN: 2469-9950

DOI
Band engineering in an epitaxial two-dimensional honeycomb Si6-xGex alloy

Fleurence, A; Awatani, Y; Huet, C; Wiggers, FB; Wallace, SM; Yonezawa, T; Yamada-Takamura, Y

PHYSICAL REVIEW MATERIALS 5 ( 1 ) 2021年01月21日

ISSN: 2475-9953

DOI
C-H Bond Activation of Methane through Electronic Interaction with Pd(110)

Koitaya, T; Ishikawa, A; Yoshimoto, S; Yoshinobu, J

JOURNAL OF PHYSICAL CHEMISTRY C 125 ( 2 ) 1368 - 1377 2021年01月21日

ISSN: 1932-7447

DOI
Enhancement of the carbamate activation rate enabled syntheses of tetracyclic benzolactams: 8-oxoberbines and their 5-and 7-membered C-ring homologues

Kurouchi, H

ORGANIC & BIOMOLECULAR CHEMISTRY 19 ( 3 ) 653 - 658 2021年01月21日

ISSN: 1477-0520

DOI
Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds

Suzuki, A; Guo, XY; Lin, ZY; Yamashita, M

CHEMICAL SCIENCE 12 ( 3 ) 917 - 928 2021年01月21日

ISSN: 2041-6520

DOI
Solvent effect for an effective attraction between like-charged macroions immersed in an electrolyte solution: The intensification mechanism of the effective attraction caused by the translational motion of solvent particles

Suematsu, A; Akiyama, R

JOURNAL OF CHEMICAL PHYSICS 154 ( 3 ) 2021年01月21日

ISSN: 0021-9606

DOI
Theory of polarization-averaged core-level molecular-frame photoelectron angular distributions: I. A full-potential method and its application to dissociating carbon monoxide dication

Ota, F; Yamazaki, K; Sebilleau, D; Ueda, K; Hatada, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 54 ( 2 ) 2021年01月20日

ISSN: 0953-4075

DOI
Circularly Polarized Luminescence of a Stereogenic Curved Paraphenylene Anchoring a Chiral Binaphthyl in Solution and Solid State

Sato, K; Hasegawa, M; Nojima, Y; Hara, N; Nishiuchi, T; Imai, Y; Mazaki, Y

CHEMISTRY-A EUROPEAN JOURNAL 27 ( 4 ) 1323 - 1329 2021年01月18日

ISSN: 0947-6539

DOI
A three states model for hydrogen abstraction reactions with the cytochrome P450 compound I is revisited. Isolobal and isospin analogy among Fe(IV)=O, O = O and O

Miyagawa, K; Isobe, H; Shoji, M; Kawakami, T; Yamanaka, S; Yamaguchi, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 405 2021年01月15日

ISSN: 1010-6030

DOI
Conformation-Changeable π-Electronic Systems with Metastable Bent-Core Conformations and Liquid-Crystalline-State Electric-Field-Responsive Properties

Nakamura, K; Sugiura, S; Araoka, F; Aya, S; Takanishi, Y; Watanabe, G; Sato, R; Shigeta, Y; Maeda, H

ORGANIC LETTERS 23 ( 2 ) 305 - 310 2021年01月15日

ISSN: 1523-7060

DOI
Exploring reaction pathways for the structural rearrangements of the Mn cluster induced by water binding in the S3 state of the oxygen evolving complex of photosystem II

Isobe, H; Shoji, M; Suzuki, T; Shen, JR; Yamaguchi, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 405 2021年01月15日

ISSN: 1010-6030

DOI
Relative stability among intermediate structures in S2 state of CaMn4O5 cluster in PSII by using hybrid-DFT and DLPNO-CC methods and evaluation of magnetic interactions between Mn ions

Miyagawa, K; Kawakami, T; Suzuki, Y; Isobe, H; Shoji, M; Yamanaka, S; Okumura, M; Nakajima, T; Yama … 全著者表示

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 405 2021年01月15日

ISSN: 1010-6030

DOI
A quantum chemical model for a series of self-assembled nanocages: the origin of stability behind the coordination-driven formation of transition metal complexes up to [M12L24]24+

Yoshida, Y; Iuchi, S; Sato, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 2 ) 2021年01月14日

ISSN: 1463-9076

DOI
CH3O Radical Binding on Hexagonal Water Ice and Amorphous Solid Water

Sameera, WMC; Senevirathne, B; Andersson, S; Al-Lbadi, M; Hidaka, H; Kouchi, A; Nyman, G; Watanabe, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 1 ) 387 - 393 2021年01月14日

ISSN: 1089-5639

DOI
Delivery of Electrons by Proton-Hole Transfer in Ice at 10 K: Role of Surface OH Radicals

Kitajima, K; Nakai, Y; Sameera, WMC; Tsuge, M; Miyazaki, A; Hidaka, H; Kouchi, A; Watanabe, N

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 1 ) 704 - 710 2021年01月14日

ISSN: 1948-7185

DOI
Electric dipole induced bulk ferromagnetism in dimer Mott molecular compounds

Yoshimoto, R; Yamashita, S; Akutsu, H; Nakazawa, Y; Kusamoto, T; Oshima, Y; Nakano, T; Yamamoto, HM … 全著者表示

SCIENTIFIC REPORTS 11 ( 1 ) 2021年01月14日

ISSN: 2045-2322

DOI
Exciton Spatial Dynamics and Self-Trapping in Carbon Nanocages

Rodríguez-Hernández, B; Nelson, T; Oldani, N; Martínez-Mesa, A; Uranga-Piña, L; Segawa, Y; Tretiak, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 ( 1 ) 224 - 231 2021年01月14日

ISSN: 1948-7185

DOI
Free energy profile analysis to identify factors activating the aggregation-induced emission of a cyanostilbene derivative

Yamamoto, N

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 2 ) 1317 - 1324 2021年01月14日

ISSN: 1463-9076

DOI
On the Electronic Structure Origin of Mechanochemically Induced Selectivity in Acid-Catalyzed Chitin Hydrolysis

De Chavez, D; Kobayashi, H; Fukuoka, A; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY A 125 ( 1 ) 187 - 197 2021年01月14日

ISSN: 1089-5639

DOI
Substitution effect on the nonradiative decay and trans → cis photoisomerization route: a guideline to develop efficient cinnamate-based sunscreens

Kinoshita, SN; Harabuchi, Y; Inokuchi, Y; Maeda, S; Ehara, M; Yamazaki, K; Ebata, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 ( 2 ) 2021年01月14日

ISSN: 1463-9076

DOI
Theoretical method for near-field Raman spectroscopy with multipolar Hamiltonian and real-time-TDDFT: Application to on- and off-resonance tip-enhanced Raman spectroscopy

Takenaka, M; Taketsugu, T; Iwasa, T

JOURNAL OF CHEMICAL PHYSICS 154 ( 2 ) 2021年01月14日

ISSN: 0021-9606

DOI
Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

Salmahaminati; Abe, M; Purnama, I; Mulyana, JY; Hada, M

ACS OMEGA 6 ( 1 ) 55 - 64 2021年01月12日

ISSN: 2470-1343

DOI
Molecular Dynamics Simulation of Cellulose Synthase Subunit D Octamer with Cellulose Chains from Acetic Acid Bacteria: Insight into Dynamic Behaviors and Thermodynamics on Substrate Recognition

Uto, T; Ikeda, Y; Sunagawa, N; Tajima, K; Yao, M; Yui, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17 ( 1 ) 488 - 496 2021年01月12日

ISSN: 1549-9618

DOI
Computational discovery of stable phases of graphene and h-BN van der Waals heterostructures composed of group III-V binary compounds

Akiyama, T; Kawamura, T; Ito, T

APPLIED PHYSICS LETTERS 118 ( 2 ) 2021年01月11日

ISSN: 0003-6951

DOI
Controlled Dimerization and Bonding Scheme of Icosahedral M@Au12 (M=Pd, Pt) Superatoms

Ito, E; Takano, S; Nakamura, T; Tsukuda, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 2 ) 645 - 649 2021年01月11日

ISSN: 1433-7851

DOI
Synthesis and Properties of a Cyclohexa-2,7-anthrylene Ethynylene Derivative

Matsuki, H; Okubo, K; Takaki, Y; Niihori, Y; Mitsui, M; Kayahara, E; Yamago, S; Kobayashi, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 2 ) 998 - 1003 2021年01月11日

ISSN: 1433-7851

DOI
Theoretical Elucidation of the Effect of Counteranions on the Olefin Polymerization Activity of (Pyridylamido)Hf(IV) Catalyst by QM and REMD Studies: MeB(C6F5)3- versus B(C6F5)4-

Misawa, N; Suzuki, Y; Saha, S; Koga, N; Nagaoka, M

ORGANOMETALLICS 40 ( 1 ) 48 - 62 2021年01月11日

ISSN: 0276-7333

DOI
Identification of hydrogen species on Pt/Al2O3 by in situ inelastic neutron scattering and their reactivity with ethylene

Yamazoe, S; Yamamoto, A; Hosokawa, S; Fukuda, R; Hara, K; Nakamura, M; Kamazawa, K; Tsukuda, T; Yos … 全著者表示

CATALYSIS SCIENCE & TECHNOLOGY 11 ( 1 ) 2021年01月07日

ISSN: 2044-4753

DOI
Electrostatic Potentials around the Proteins Preferably Crystallized by Ammonium Sulfate

Guo, Y; Qu, L; Nishida, N; Hoshino, T

CRYSTAL GROWTH & DESIGN 21 ( 1 ) 297 - 305 2021年01月06日

ISSN: 1528-7483

DOI
Novel Method of Search for Transparent Optical Materials with Extremely High Melting Point

Kurashima, Y; Kurosawa, S; Murakami, R; Yamaji, A; Ishikawa, S; Pejchal, J; Kamada, K; Yoshino, M; … 全著者表示

CRYSTAL GROWTH & DESIGN 21 ( 1 ) 572 - 578 2021年01月06日

ISSN: 1528-7483

DOI
Geometric analysis of anharmonic downward distortion following paths

Ebisawa, S; Tsutsumi, T; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 42 ( 1 ) 27 - 39 2021年01月05日

ISSN: 0192-8651

DOI
Chiral Photocurrent in Parity-Violating Magnet and Enhanced Response in Topological Antiferromagnet

Watanabe, H; Yanase, Y

PHYSICAL REVIEW X 11 ( 1 ) 2021年01月04日

ISSN: 2160-3308

DOI
Hydromagnesiation of 1,3-Enynes by Magnesium Hydride for Synthesis of Tri- and Tetra-substituted Allenes

Wang, B; Li, YH; Pang, JH; Watanabe, K; Takita, R; Chiba, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 60 ( 1 ) 217 - 221 2021年01月04日

ISSN: 1433-7851

DOI
Chemoselective Transesterification of Methyl (Meth)acrylates Catalyzed by Sodium(I) or Magnesium(II) Aryloxides

Ng, JQ; Arima, H; Mochizuki, T; Toh, K; Matsui, K; Ratanasak, M; Hasegawa, JY; Hatano, M; Ishihara, … 全著者表示

ACS CATALYSIS 11 ( 1 ) 199 - 207 2021年01月01日

ISSN: 2155-5435

DOI
Discrete magnetic breathers in monoaxial chiral helimagnet

Bostrem, IG; Sinitsyn, VE; Ovchinnikov, AS; Ekomasov, EG; Kishine, J

AIP ADVANCES 11 ( 1 ) 2021年01月01日

DOI
Functional Group-Directed Photochemical Reactions of Aromatic Alcohols, Amines, and Thiols Triggered by Excited-State Hydrogen Detachment: Additive-free Oligomerization, Disulfidation, and C(sp2)-H Carboxylation with CO2

Abe, K; Nakada, A; Matsumoto, T; Uchijyo, D; Mori, H; Chang, HC

JOURNAL OF ORGANIC CHEMISTRY 86 ( 1 ) 959 - 969 2021年01月01日

ISSN: 0022-3263

DOI
HOMO-LUMO Energy-Gap Tuning of π-Conjugated Zwitterions Composed of Electron-Donating Anion and Electron-Accepting Cation

Shimizu, A; Ishizaki, Y; Horiuchi, S; Hirose, T; Matsuda, K; Sato, H; Yoshida, JI

JOURNAL OF ORGANIC CHEMISTRY 86 ( 1 ) 770 - 781 2021年01月01日

ISSN: 0022-3263

DOI
Reduction of Ethynylenes to Vinylenes in a Macrocyclic π-Extended Thiophene Skeleton Under McMurry Coupling Conditions

Shirahata, K; Takashika, M; Hirabayashi, K; Hasegawa, M; Otani, H; Yamamoto, K; Ie, Y; Shimizu, T; … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 86 ( 1 ) 302 - 309 2021年01月01日

ISSN: 0022-3263

DOI
Structural change of damaged polyethylene by beta-decay of substituted tritium using reactive force field

Li, HL; Fujiwara, S; Nakamura, H; Mizuguchi, T; Nakata, A; Miyazaki, T; Saito, S

JAPANESE JOURNAL OF APPLIED PHYSICS 60 ( SA ) 2021年01月01日

ISSN: 0021-4922

DOI
A second shell residue modulates a conserved ATP-binding site with radically different affinities for ATP

Krah, A; van der Hoeven, B; Mestrom, L; Tonin, F; Knobel, KCC; Bond, PJ; McMillan, DGG

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1865 ( 1 ) 2021年01月

ISSN: 0304-4165

DOI
Facet Dependence of Photocatalytic Activity in Anatase TiO2: Combined Experimental and DFT Study

Joutsuka, T; Yoshinari, H; Yamauchi, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 1 ) 106 - 111 2021年01月

ISSN: 0009-2673

DOI
Gold(I)-Catalyzed Intramolecular Hydroarylation of o-Ethynylarylphosphonium Salt Leading to the Formation of Seven- and Six-membered Phosphacycles

Tsurusaki, A; Shimatani, H; Kamikawa, K

ASIAN JOURNAL OF ORGANIC CHEMISTRY 10 ( 1 ) 154 - 159 2021年01月

ISSN: 2193-5807

DOI
Influence of intermolecular interactions on the formation of spontaneous orientation polarization in organic semiconducting films

Noguchi, Y; Osada, K; Ninomiya, K; Gunawardana, HDCN; Koswattage, KR; Ishii, H

JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY 29 ( 1 ) 29 - 37 2021年01月

ISSN: 1071-0922

DOI
Involvement of pore helix in voltage-dependent inactivation of TRPM5 channel

Uchida, K; Kita, T; Hatta, M; Itoh, SG; Okumura, H; Tominaga, M; Yamazaki, J

HELIYON 7 ( 1 ) 2021年01月

DOI
Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory

Sugita, M; Onishi, I; Irisa, M; Yoshida, N; Hirata, F

MOLECULES 26 ( 2 ) 2021年01月

DOI
Polyoxometalates in Analytical Sciences

Ueda, T

ANALYTICAL SCIENCES 37 ( 1 ) 107 - 118 2021年01月

ISSN: 0910-6340

DOI
Synthesis of Carbazole-Fused Azaborines via a Pd-Catalyzed C-H Activation-Cyclization Reaction

Nagata, M; Oshiro, T; Mizuhata, Y; Tokitoh, N; Hosoya, T; Yamada, S; Konno, T; Fukumoto, H; Kubota, … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 94 ( 1 ) 21 - 23 2021年01月

ISSN: 0009-2673

DOI
Theoretical insight into oxidation catalysis of chromite spinel MCr2O4 (M = Mg, Co, Cu, and Zn): Volcano plot for oxygen-vacancy formation and catalytic activity

Zhao, P; Ehara, M; Satsuma, A; Sakaki, S

JOURNAL OF CATALYSIS 393 30 - 41 2021年01月

ISSN: 0021-9517

DOI
A THEORETICAL STUDY OF PRODUCT SELECTIVITY IN RHODIUM-CATALYZED OXIDATIVE COUPLING REACTION CAUSED BY THE SOLVATION EFFECT

Higashi, M; Shibata, N; Takeno, S; Satoh, T; Miura, M; Sato, H

HETEROCYCLES 103 ( 2 ) 952 - 964 2021年

ISSN: 0385-5414

DOI
Assessing the debris generated by the small carry-on impactor operated from the Hayabusa2 mission

Ito, M; Takano, Y; Kebukawa, Y; Ohigashi, T; Matsuoka, M; Kiryu, K; Uesugi, M; Nakamura, T; Yuzawa, … 全著者表示

GEOCHEMICAL JOURNAL 55 ( 4 ) 223 - 239 2021年

ISSN: 0016-7002

DOI
Isolobal and isospin analogy between organic and inorganic open-shell molecules-Application to oxygenation reactions by active oxygen and oxy-radicals and water oxidation in the native and artificial photosynthesis

Yamaguchi, K; Miyagawa, K; Isobe, H; Shoji, M; Kawakami, T; Yamanaka, S

ADVANCES IN QUANTUM CHEMISTRY, VOL 84 84 425 - 564 2021年

ISBN: 978-0-12-823877-6

ISSN: 0065-3276

DOI
OSCILLATOXIN E AND ITS C7 EPIMER SHOW DISTINCT GROWTH INHIBITION PROFILES AGAINST SEVERAL CANCER CELL LINES

Hanaki, Y; Araki, Y; Nishikawa, T; Yanagita, RC

HETEROCYCLES 102 ( 12 ) 2353 - 2362 2021年

ISSN: 0385-5414

DOI
Optical Gradient Force on Gold Chiral Nanoparticles

Yamanishi, J; Ahn, HY; Hashiyada, S; Nam, KT; Okamoto, H

OPTICAL MANIPULATION AND STRUCTURED MATERIALS CONFERENCE 2021 11926 2021年

ISBN: 978-1-5106-4720-6

ISSN: 0277-786X

DOI
Optogenetic Modulation of Ion Channels by Photoreceptive Proteins

Tsukamoto, H; Furutani, Y

OPTOGENETICS: LIGHT-SENSING PROTEINS AND THEIR APPLICATIONS IN NEUROSCIENCE AND BEYOND, 2ND EDITION 1293 73 - 88 2021年

ISBN: 978-981-15-8762-7

ISSN: 0065-2598

DOI
Synthesis of SrO-Al2O3 Solid Base Catalysts from Strontium Hydroxide and Aluminum Alkoxide by a Solid-liquid Interface Reaction

Matsuhashi, H; Iwamoto, A; Sasaki, M; Yoshida, K; Aritani, H

JOURNAL OF THE JAPAN PETROLEUM INSTITUTE 64 ( 2 ) 103 - 111 2021年

ISSN: 1346-8804

DOI
Tailor-made Laser Chip by Bonding for High Energy Laser System

Kausas, A; Yahia, V; Tsuji, A; Zhang, R; Zhou, XY; Honda, Y; Yoshida, M; Taira, T

2021 7TH INTERNATIONAL WORKSHOP ON LOW TEMPERATURE BONDING FOR 3D INTEGRATION (LTB-3D) 2 - 2 2021年

ISBN: 978-1-6654-0567-6

DOI
The register shift rules for βαβ-motifs for de novo protein design

Murata, H; Imakawa, H; Koga, N; Chikenji, G

PLOS ONE 16 ( 8 ) 2021年

ISSN: 1932-6203

DOI
VUV- and X-ray-induced Properties of Lu2Si2O7,Y2Si2O7, and Gd2Si2O7 Single Crystals

Kantuptim, P; Fukushima, H; Kimura, H; Nakauchi, D; Kato, T; Koshimizu, M; Kawaguchi, N; Yanagida, T

SENSORS AND MATERIALS 33 ( 6 ) 2195 - 2201 2021年

ISSN: 0914-4935

DOI
Effect of thiophene/furan substitution on organic field effect transistor properties of arylthiadiazole based organic semiconductors

Pachariyangkun, A; Suda, M; Hadsadee, S; Jungsuttiwong, S; Nalaoh, P; Pattanasattayavong, P; Sudyoa … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY C 8 ( 48 ) 17297 - 17306 2020年12月28日

ISSN: 2050-7526

DOI
Extended conjugation of ESIPT-type dopants in nematic liquid crystalline phase for enhancing fluorescence efficiency and anisotropy

Zhang, WY; Suzuki, S; Sakurai, T; Yoshida, H; Tsutsui, Y; Ozaki, M; Seki, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 48 ) 28393 - 28400 2020年12月28日

ISSN: 1463-9076

DOI
Molecular Mechanism of Acceleration and Retardation of Collective Orientation Relaxation of Water Molecules in Aqueous Solutions

Moritsugu, N; Nara, T; Koda, SI; Tominaga, K; Saito, S

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 51 ) 11730 - 11737 2020年12月24日

ISSN: 1520-6106

DOI
Soft-X-Ray Vortex Beam Detected by Inline Holography

Ishii, Y; Yamamoto, K; Yokoyama, Y; Mizumaki, M; Nakao, H; Arima, TH; Yamasaki, Y

PHYSICAL REVIEW APPLIED 14 ( 6 ) 2020年12月24日

ISSN: 2331-7019

DOI
Thermodynamic approach to electric quadrupole moments

Daido, A; Shitade, A; Yanase, Y

PHYSICAL REVIEW B 102 ( 23 ) 2020年12月22日

ISSN: 2469-9950

DOI
Giant surface Edelstein effect in d-wave superconductors

Ikeda, Y; Yanase, Y

PHYSICAL REVIEW B 102 ( 21 ) 2020年12月21日

ISSN: 2469-9950

DOI
Understanding Doping Effects on Electronic Structures of Gold Superatoms: A Case Study of Diphosphine-Protected M@Au12 (M = Au, Pt, Ir)

Hirai, H; Takano, S; Nakamura, T; Tsukuda, T

INORGANIC CHEMISTRY 59 ( 24 ) 17889 - 17895 2020年12月21日

ISSN: 0020-1669

DOI
Determining if Reaction Selectivity Can Be Controlled by the H/D Isotope Effect in CH•••O Interactions

Funahashi, H; Tachikawa, M; Udagawa, T

ORGANIC LETTERS 22 ( 24 ) 9439 - 9443 2020年12月18日

ISSN: 1523-7060

DOI
Hydrodeoxygenation of Guaiacol to Phenol over Ceria-Supported Iron Catalysts

Li, CC; Nakagawa, Y; Tamura, M; Nakayama, A; Tomishige, K

ACS CATALYSIS 10 ( 24 ) 14624 - 14639 2020年12月18日

ISSN: 2155-5435

DOI
Gas-Phase Peptide Fragmentation Induced by Hydrogen Attachment, from Principle to Sequencing of Amide Nitrogen-Methylated Peptides

Asakawa, D; Takahashi, H; Iwamoto, S; Tanaka, K

ANALYTICAL CHEMISTRY 92 ( 24 ) 15773 - 15780 2020年12月15日

ISSN: 0003-2700

DOI
Quantum Phase Transition in Organic Massless Dirac Fermion System α-(BEDT-TTF)2I3 under Pressure

Unozawa, Y; Kawasugi, Y; Suda, M; Yamamoto, HM; Kato, R; Nishio, Y; Kajita, K; Morinari, T; Tajima, … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 89 ( 12 ) 2020年12月15日

ISSN: 0031-9015

DOI
All-electron relativistic spin-orbit multireference computation to elucidate the ground state of CeH

Kondo, Y; Goto, Y; Kobayashi, M; Akama, T; Noro, T; Taketsugu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 46 ) 27157 - 27162 2020年12月14日

ISSN: 1463-9076

DOI
Coherent Vibration and Femtosecond Dynamics of the Platinum Complex Oligomers upon Intermolecular Bond Formation in the Excited State

Iwamura, M; Fukui, A; Nozaki, K; Kuramochi, H; Takeuchi, S; Tahara, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 51 ) 23154 - 23161 2020年12月14日

ISSN: 1433-7851

DOI
Deep learning enabled inorganic material generator

Pathak, Y; Juneja, KS; Varma, G; Ehara, M; Priyakumar, UD

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 46 ) 26935 - 26943 2020年12月14日

ISSN: 1463-9076

DOI
Electronic and spin structures of CaMn4Ox clusters in the S0 state of the oxygen evolving complex of photosystem II. Domain-based local pair natural orbital (DLPNO) coupled-cluster (CC) calculations using optimized geometries and natural orbitals (UNO) by hybrid density functional theory (HDFT) calculations

Miyagawa, K; Yamanaka, S; Isobe, H; Shoji, M; Kawakami, T; Taniguchi, M; Okumura, M; Yamaguchi, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 46 ) 27191 - 27205 2020年12月14日

ISSN: 1463-9076

DOI
Electrophilic Substitution of Anionic Aluminabenzene via Sequential Reactions with Electrophile and Base

Kuno, M; Suzuki, K; Nakamura, T; Yamashita, M

ORGANOMETALLICS 39 ( 23 ) 4139 - 4142 2020年12月14日

ISSN: 0276-7333

DOI
First-principles quantum Monte Carlo studies for prediction of double minima for positronic hydrogen molecular dianion

Ito, S; Yoshida, D; Kita, Y; Tachikawa, M

JOURNAL OF CHEMICAL PHYSICS 153 ( 22 ) 2020年12月14日

ISSN: 0021-9606

DOI
Polarization consistent basis sets using the projector augmented wave method: a renovation brought by PAW into Gaussian basis sets

Phung, QM; Hagai, M; Xiong, XG; Yanai, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 46 ) 27037 - 27052 2020年12月14日

ISSN: 1463-9076

DOI
A theoretical study on the strain energy of helicene-containing carbon nanobelts

Watanabe, K; Segawa, Y; Itami, K

CHEMICAL COMMUNICATIONS 56 ( 95 ) 15044 - 15047 2020年12月11日

ISSN: 1359-7345

DOI
Ultrabosonic behavior in photoexcited one-dimensional Mott insulators in the region of weak intersite Coulomb interaction

Iwano, K; Yamaguchi, T; Okamoto, H

PHYSICAL REVIEW B 102 ( 24 ) 2020年12月10日

ISSN: 2469-9950

DOI
Chirality-Induced Phonon Dispersion in a Noncentrosymmetric Micropolar Crystal

Kishine, J; Ovchinnikov, AS; Tereshchenko, AA

PHYSICAL REVIEW LETTERS 125 ( 24 ) 2020年12月09日

ISSN: 0031-9007

DOI
Fast Nonadiabatic Molecular Dynamics via Spin-Flip Time-Dependent Density-Functional Tight-Binding Approach: Application to Nonradiative Relaxation of Tetraphenylethylene with Locked Aromatic Rings

Uratani, H; Morioka, T; Yoshikawa, T; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 12 ) 7299 - 7313 2020年12月08日

ISSN: 1549-9618

DOI
Position-Dependent Diffusion Constant of Molecules in Heterogeneous Systems as Evaluated by the Local Mean Squared Displacement

Nagai, T; Tsurumaki, S; Urano, R; Fujimoto, K; Shinoda, W; Okazaki, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 12 ) 7239 - 7254 2020年12月08日

ISSN: 1549-9618

DOI
Robust folding of a de novo designed ideal protein even with most of the core mutated to valine

Koga, R; Yamamoto, M; Kosugi, T; Kobayashi, N; Sugiki, T; Fujiwara, T; Koga, N

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 117 ( 49 ) 31149 - 31156 2020年12月08日

ISSN: 0027-8424

DOI
Soliton locking phenomenon over finite magnetic field region in the monoaxial chiral magnet CrNb 3 S 6

Ohkuma, M; Mito, M; Kousaka, Y; Tajiri, T; Akimitsu, J; Kishine, J; Inoue, K

APPLIED PHYSICS LETTERS 117 ( 23 ) 2020年12月07日

ISSN: 0003-6951

DOI
Conformation of K+(Crown Ether) Complexes Revealed by Ion Mobility-Mass Spectrometry and Ultraviolet Spectroscopy

Tainaka, S; Ujihira, T; Kubo, M; Kida, M; Shimoyama, D; Muramatsu, S; Abe, M; Haino, T; Ebata, T; M … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 48 ) 9980 - 9990 2020年12月03日

ISSN: 1089-5639

DOI
Monoradicals and Diradicals of Dibenzofluoreno[3,2-b]fluorene Isomers: Mechanisms of Electronic Delocalization

Hayashi, H; Barker, JE; Valdivia, AC; Kishi, R; MacMillan, SN; Gómez-García, CJ; Miyauchi, H; Nakam … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 48 ) 20444 - 20455 2020年12月02日

ISSN: 0002-7863

DOI
Stabilization of oxidized ruthenium complexes by adsorption on clay minerals

Yoshida, J; Tateyama, K; Kasahara, Y; Yuge, H

APPLIED CLAY SCIENCE 199 2020年12月01日

ISSN: 0169-1317

DOI
Synthesis, structure and properties of a boron-substituted phosphorane bearing N,O-bidentate ligands

O'Brien, NJ; Koda, Y; Maeda, H; Kano, N

POLYHEDRON 192 2020年12月01日

ISSN: 0277-5387

DOI
Temperature-dependent band structure evolution determined by surface geometry in organic halide perovskite single crystals

Yang, JP; Meissner, M; Yamaguchi, T; Xi, B; Takahashi, K; Abdullah, S; Liu, XJ; Yoshida, H; Fahlman … 全著者表示

PHYSICAL REVIEW B 102 ( 24 ) 2020年12月01日

ISSN: 2469-9950

DOI
Deuteration Effects on the Transport Properties of (TMTTF)2X Salts

Rohwer, A; Dressel, M; Nakamura, T

CRYSTALS 10 ( 12 ) 2020年12月

ISSN: 2073-4352

DOI
Development of Force Field Parameters for p-Carborane to Investigate the Structural Influence of Carborane Derivatives on Drug Targets by Complex Formation

Kato, K; Nakayoshi, T; Inoue, H; Fukuyoshi, S; Ohta, K; Endo, Y; Kurimoto, E; Oda, A

BIOLOGICAL & PHARMACEUTICAL BULLETIN 43 ( 12 ) 1931 - 1939 2020年12月

ISSN: 0918-6158

DOI
Photoemission from the gas phase using soft x-ray fs pulses: an investigation of the space-charge effects

Verna, A; Stefani, G; Offi, F; Gejo, T; Tanaka, Y; Tanaka, K; Nishie, T; Nagaya, K; Niozu, A; Yamam … 全著者表示

NEW JOURNAL OF PHYSICS 22 ( 12 ) 2020年12月

ISSN: 1367-2630

DOI
Suppression of intergranular corrosion by surface grain boundary engineering of 304 austenitic stainless steel using laser peening plus annealing

Tokita, S; Kokawa, H; Kodama, S; Sato, YS; Sano, Y; Li, ZG; Feng, K; Wu, YX

MATERIALS TODAY COMMUNICATIONS 25 2020年12月

ISSN: 2352-4928

DOI
Free complement sij-assisted rij theory: Variational calculation of the quintet state of a carbon atom

Nakashima, H; Nakatsuji, H

PHYSICAL REVIEW A 102 ( 5 ) 2020年11月30日

ISSN: 2469-9926

DOI
Photocatalytic redox-neutral hydroxyalkylation of N-heteroaromatics with aldehydes

Fuse, H; Nakao, H; Saga, Y; Fukatsu, A; Kondo, M; Masaoka, S; Mitsunuma, H; Kanai, M

CHEMICAL SCIENCE 11 ( 44 ) 12206 - 12211 2020年11月28日

ISSN: 2041-6520

DOI
Arylation of aryllithiums with S-arylphenothiazinium ions for biaryl synthesis

Morofuji, T; Yoshida, T; Tsutsumi, R; Yamanaka, M; Kano, N

CHEMICAL COMMUNICATIONS 56 ( 90 ) 13995 - 13998 2020年11月21日

ISSN: 1359-7345

DOI
Chiral discrimination between tyrosine and β-cyclodextrin revealed by cryogenic ion trap infrared spectroscopy

Hirata, K; Mori, Y; Ishiuchi, SI; Fujii, M; Zehnacker, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 43 ) 24887 - 24894 2020年11月21日

ISSN: 1463-9076

DOI
Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from 3XMMCT/3MC

Osawa, M; Soma, S; Hoshino, M; Tanaka, Y; Akita, M

DALTON TRANSACTIONS 49 ( 43 ) 15204 - 15212 2020年11月21日

ISSN: 1477-9226

DOI
The charge reduction rate for multiply charged polymer ions via ion-ion recombination at atmospheric pressure

Tamadate, T; Higashi, H; Hogan, CJ; Seto, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 43 ) 25215 - 25226 2020年11月21日

ISSN: 1463-9076

DOI
Laser-induced topological s-wave superconductivity in bilayer transition metal dichalcogenides

Chono, H; Takasan, K; Yanase, Y

PHYSICAL REVIEW B 102 ( 17 ) 2020年11月20日

ISSN: 2469-9950

DOI
Photostimulated desorption of OH radicals from amorphous solid water: Evidence for the interaction of visible light with an OH-ice complex

Miyazaki, A; Watanabe, N; Sameera, WMC; Nakai, Y; Tsuge, M; Hama, T; Hidaka, H; Kouchi, A

PHYSICAL REVIEW A 102 ( 5 ) 2020年11月20日

ISSN: 2469-9926

DOI
Synthetic Strategies of Carbon Nanobelts and Related Belt-Shaped Polycyclic Aromatic Hydrocarbons

Cheung, KY; Segawa, Y; Itami, K

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 65 ) 14791 - 14801 2020年11月20日

ISSN: 0947-6539

DOI
Direct Observation of the S0 → T2 Transition in Phosphorescent Platinum(II) Octaethylporphyrin, Evidenced by Magnetic Circular Dichroism

Ishii, K; Wada, J; Murata, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 22 ) 9828 - 9833 2020年11月19日

ISSN: 1948-7185

DOI
Quantum Tunneling of a He Atom Above and Below a Benzene Ring

Hayashi, M; Ohshima, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 22 ) 9745 - 9750 2020年11月19日

ISSN: 1948-7185

DOI
Towards Near-Exact Solutions of Molecular Electronic Structure: Full Coupled-Cluster Reduction with a Second-Order Perturbative Correction

Xu, EH; Uejima, M; Ten-no, SL

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 22 ) 9775 - 9780 2020年11月19日

ISSN: 1948-7185

DOI
Novel method for preparing stable near-infrared absorbers: a new phthalocyanine family based on rhenium(I) complexes

Murata, K; Koike, Y; Ishii, K

CHEMICAL COMMUNICATIONS 56 ( 89 ) 13760 - 13763 2020年11月18日

ISSN: 1359-7345

DOI
Theory of chemical bonds in metalloenzymes XXIII fundamental principles for the photo-induced water oxidation in oxygen evolving complex of photosystem II

Yamaguchi, K; Yamanaka, S; Isobe, H; Shoji, M; Miyagawa, K; Kawakami, T

MOLECULAR PHYSICS 118 ( 21-22 ) 2020年11月16日

ISSN: 0026-8976

DOI
Cationic polymerization of vinyl monomers using halogen bonding organocatalysts with varied activity

Takagi, K; Murakata, H; Yamauchi, K; Hashimoto, K

POLYMER CHEMISTRY 11 ( 42 ) 6739 - 6744 2020年11月14日

ISSN: 1759-9954

DOI
Design and mechanical properties of supramolecular polymeric materials based on host-guest interactions: the relation between relaxation time and fracture energy

Konishi, S; Kashiwagi, Y; Watanabe, G; Osaki, M; Katashima, T; Urakawa, O; Inoue, T; Yamaguchi, H; … 全著者表示

POLYMER CHEMISTRY 11 ( 42 ) 6811 - 6820 2020年11月14日

ISSN: 1759-9954

DOI
Machine-learned electron correlation model based on frozen core approximation

Ikabata, Y; Fujisawa, R; Seino, J; Yoshikawa, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 153 ( 18 ) 2020年11月14日

ISSN: 0021-9606

DOI
Protonation structure of the photosynthetic water oxidizing complex in the S0 state as revealed by normal mode analysis using quantum mechanics/molecular mechanics calculations

Yamamoto, M; Nakamura, S; Noguchi, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 42 ) 24213 - 24225 2020年11月14日

ISSN: 1463-9076

DOI
Vibrational circular dichroism towards asymmetric catalysis: chiral induction in substrates coordinated with copper(ii) ions

Sato, H; Takimoto, K; Yoshida, J; Yamagishi, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 42 ) 24393 - 24398 2020年11月14日

ISSN: 1463-9076

DOI
Probing local distortion around structural defects in half-Heusler thermoelectric NiZrSn alloy

Miyazaki, H; Ozkendir, OM; Gunaydin, S; Watanabe, K; Soda, K; Nishino, Y

SCIENTIFIC REPORTS 10 ( 1 ) 2020年11月13日

ISSN: 2045-2322

DOI
Comment on "Toward Unraveling the Puzzle of Sum Frequency Generation Spectra at Interface of Aqueous Methanol Solution: Effects of Concentration-Dependent Hyperpolarizability"y

Ishiyama, T; Takagi, S; Hirano, T; Wang, L; Morita, A

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 45 ) 25160 - 25162 2020年11月12日

ISSN: 1932-7447

DOI
Cleavage of C(sp3)-F Bonds in Trifluoromethylarenes Using a Bis(NHC)nickel(0) Complex

Iwamoto, H; Imiya, H; Ohashi, M; Ogoshi, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 45 ) 19360 - 19367 2020年11月11日

ISSN: 0002-7863

DOI
Non-aqueous, zwitterionic solvent as an alternative for dimethyl sulfoxide in the life sciences

Kuroda, K; Komori, T; Ishibashi, K; Uto, T; Kobayashi, I; Kadokawa, R; Kato, Y; Ninomiya, K; Takaha … 全著者表示

COMMUNICATIONS CHEMISTRY 3 ( 1 ) 2020年11月11日

ISSN: 2399-3669

DOI
Ferroelectricity-induced multiorbital odd-frequency superconductivity in SrTiO3

Kanasugi, S; Kuzmanovski, D; Balatsky, AV; Yanase, Y

PHYSICAL REVIEW B 102 ( 18 ) 2020年11月10日

ISSN: 2469-9950

DOI
Ameta-Selective C-H Alumination of Mono-Substituted Benzene by Using An Alkyl-Substituted Al Anion through Hydride-Eliminating SNAr Reaction

Kurumada, S; Sugita, K; Nakano, R; Yamashita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 46 ) 20381 - 20384 2020年11月09日

ISSN: 1433-7851

DOI
Theoretical analysis of optically selective imaging in photoinduced force microscopy

Yamane, H; Yamanishi, J; Yokoshi, N; Sugawara, Y; Ishihara, H

OPTICS EXPRESS 28 ( 23 ) 34787 - 34803 2020年11月09日

ISSN: 1094-4087

DOI
X-ray Crystallographic Observation of Chiral Transformations within a Metal-Peptide Pore

Saito, A; Sawada, T; Fujita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 46 ) 20367 - 20370 2020年11月09日

ISSN: 1433-7851

DOI
Development of quadrupole susceptibility automatic calculator in sum frequency generation spectroscopy and application to methyl C-H vibrations

Mori, W; Wang, L; Sato, Y; Morita, A

JOURNAL OF CHEMICAL PHYSICS 153 ( 17 ) 2020年11月07日

ISSN: 0021-9606

DOI
Dissecting the electric quadrupolar and polarization effects operating in halogen bonding through electron density analysis with a focus on bromine

Saito, K; Izumi, R; Torii, H

JOURNAL OF CHEMICAL PHYSICS 153 ( 17 ) 2020年11月07日

ISSN: 0021-9606

DOI
Intrastrand backbone-nucleobase interactions stabilize unwound right-handed helical structures of heteroduplexes of L-aTNA/RNA and SNA/RNA

Kamiya, Y; Satoh, T; Kodama, A; Suzuki, T; Murayama, K; Kashida, H; Uchiyama, S; Kato, K; Asanuma, H

COMMUNICATIONS CHEMISTRY 3 ( 1 ) 2020年11月06日

ISSN: 2399-3669

DOI
Tetrathiafulvalene-Inserted Diphenoquinone: Synthesis, Structure, and Dynamic Redox Property

Mitsuoka, M; Sakamaki, D; Fujiwara, H

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 62 ) 14144 - 14151 2020年11月06日

ISSN: 0947-6539

DOI
On-Off of Co-non-solvency for Poly(N-vinylcaprolactam) in Alcohol-Water Mixtures: A Molecular Dynamics Study

Mochizuki, K

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 44 ) 9951 - 9957 2020年11月05日

ISSN: 1520-6106

DOI
A Convoluted Polyvinylpyridine-Palladium Catalyst for Suzuki-Miyaura Coupling and C-H Arylation

Ohno, A; Sato, T; Mase, T; Uozumi, Y; Yamada, YMA

ADVANCED SYNTHESIS & CATALYSIS 362 ( 21 ) 4687 - 4698 2020年11月04日

ISSN: 1615-4150

DOI
Iridium-Catalyzed Enantioselective Transfer Hydrogenation of Ketones Controlled by Alcohol Hydrogen-Bonding and sp3-C-H Noncovalent Interactions

Murayama, H; Heike, Y; Higashida, K; Shimizu, Y; Yodsin, N; Wongnongwa, Y; Jungsuttiwong, S; Mori, … 全著者表示

ADVANCED SYNTHESIS & CATALYSIS 362 ( 21 ) 4655 - 4661 2020年11月04日

ISSN: 1615-4150

DOI
Catalytic Mechanism of Liquid-Metal Indium for Direct Dehydrogenative Conversion of Methane to Higher Hydrocarbons

Nishikawa, Y; Ohtsuka, Y; Ogihara, H; Rattanawan, R; Gao, M; Nakayama, A; Hasegawa, JY; Yamanaka, I

ACS OMEGA 5 ( 43 ) 28158 - 28167 2020年11月03日

ISSN: 2470-1343

DOI
Chiral vortical effect in relativistic and nonrelativistic systems

Shitade, A; Mameda, K; Hayata, T

PHYSICAL REVIEW B 102 ( 20 ) 2020年11月02日

ISSN: 2469-9950

DOI
Association between the superior longitudinal fasciculus and perceptual organization and working memory: A diffusion tensor imaging study

Koshiyama, D; Fukunaga, M; Okada, N; Morita, K; Nemoto, K; Yamashita, F; Yamamori, H; Yasuda, Y; Ma … 全著者表示

NEUROSCIENCE LETTERS 738 2020年11月01日

ISSN: 0304-3940

DOI
Core-level shifts in x-ray photoelectron spectroscopy of arsenic defects in silicon crystal: A first-principles study

Yamauchi, J; Yoshimoto, Y; Suwa, Y

AIP ADVANCES 10 ( 11 ) 2020年11月01日

DOI
Development of broken-symmetry (BS) methods in chemical reactions. A theoretical view of water oxidation in photosystem II and related systems

Yamaguchi, K; Isobe, H; Shoji, M; Miyagawa, K; Yamanaka, S; Kawakami, T; Nakajima, T

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 402 2020年11月01日

ISSN: 1010-6030

DOI
Low-pressure chemical vapor deposition of Cu on Ru using CuI as precursor

Nishikawa, T; Horiuchi, K; Joutsuka, T; Yamauchi, S

JOURNAL OF CRYSTAL GROWTH 549 2020年11月01日

ISSN: 0022-0248

DOI
A Furan-2,5-diyl Bridged Macrocage as a Highly Distorted Molecular Gyrotop

Inagaki, Y; Ueda, S; Yamaguchi, K; Setaka, W

CHEMISTRY LETTERS 49 ( 11 ) 1291 - 1293 2020年11月

ISSN: 0366-7022

DOI
Application of an Augmentation Method to MCR-ALS Analysis for XAFS and Raman Data Matrices in the Structural Change of Isopolymolybdates

Saeki, M; Yomogida, T; Matsumura, D; Saito, T; Nakanishi, R; Tsuji, T; Ohba, H

ANALYTICAL SCIENCES 36 ( 11 ) 1371 - 1378 2020年11月

ISSN: 0910-6340

DOI
Characterization of Dark-Colored Nanoporous Anodic Films on Zinc

Masuda, R; Kowalski, D; Kitano, S; Aoki, Y; Nozawa, T; Habazaki, H

COATINGS 10 ( 11 ) 2020年11月

DOI
Demonstration of Transmission Mode Soft X-ray NEXAFS Using Third- and Fifth-Order Harmonics of FEL Radiation at SACLA BL1

Iwayama, H; Nagasaka, M; Inoue, I; Owada, S; Yabashi, M; Harries, JR

APPLIED SCIENCES-BASEL 10 ( 21 ) 2020年11月

DOI
Direct Observation of Molecular Orbitals Using Synchrotron X-ray Diffraction

Kitou, S; Hosogi, Y; Kitaura, R; Naito, T; Nakamura, T; Sawa, H

CRYSTALS 10 ( 11 ) 2020年11月

DOI
Effect of Laser Peening on the Mechanical Properties of Aluminum Alloys Probed by Synchrotron Radiation and X-Ray Free Electron Laser

Sano, Y; Masaki, K; Akita, K; Kajiwara, K; Sano, T

METALS 10 ( 11 ) 2020年11月

DOI
Investigation of Intramolecular Proton Transfer in Ionic States of o-Hydroxybenzaldehyde Derivatives by Using Electron Spin Resonance Spectroscopy and Computational Chemistry

Shinde, Y; Yamamoto, S; Mukai, K; Nagaoka, S

CHEMISTRY LETTERS 49 ( 11 ) 1399 - 1402 2020年11月

ISSN: 0366-7022

DOI
Microscopic Observation of π Spin Polarization by d Localized Spin in λ Type BETS Based Organic Superconductors

Hiraki, K; Takahashi, T; Akiba, H; Nishio, Y; Zhou, B

CRYSTALS 10 ( 11 ) 2020年11月

ISSN: 2073-4352

DOI
Promoter Activity-Based Case-Control Association Study on SLC6A4 Highlighting Hypermethylation and Altered Amygdala Volume in Male Patients With Schizophrenia

Ikegame, T; Bundo, M; Okada, N; Murata, Y; Koike, S; Sugawara, H; Saito, T; Ikeda, M; Owada, K; Fuk … 全著者表示

SCHIZOPHRENIA BULLETIN 46 ( 6 ) 1577 - 1586 2020年11月

ISSN: 0586-7614

DOI
Replica-permutation molecular dynamics simulations of an amyloid-β(16-22) peptide and polyphenols

Ngoc, LLN; Itoh, SG; Sompornpisut, P; Okumura, H

CHEMICAL PHYSICS LETTERS 758 2020年11月

ISSN: 0009-2614

DOI
Stabilities, Electronic Structures, and Bonding Properties of Iron Complexes (E1E2)Fe(CO)2(CNArTripp2)2 (E1E2=BF, CO, N2, CN-, or NO+)**

Pei, GR; Zhao, P; Xu, S; Zhao, XT; Kong, CC; Yang, ZM; Ehara, M; Yang, T

CHEMISTRYOPEN 9 ( 11 ) 1195 - 1201 2020年11月

ISSN: 2191-1363

DOI
Sub-molecular photoluminescence

Kumagai, T

NATURE PHOTONICS 14 ( 11 ) 653 - 655 2020年11月

ISSN: 1749-4885

DOI
Syntheses, Structures, and Physical Properties of Neutral Gold Dithiolate Complex, [Au(etdt)2]•THF

Sakaguchi, K; Zhou, B; Idobata, Y; Kamebuchi, H; Kobayashi, A

CRYSTALS 10 ( 11 ) 2020年11月

ISSN: 2073-4352

DOI
Theoretical Study on Singlet Fission Dynamics in Pentacene Ring-Shaped Aggregate Models with Different Configurations

Miyamoto, H; Nakano, M

CHEMPHOTOCHEM 4 ( 11 ) 5249 - 5263 2020年11月

ISSN: 2367-0932

DOI
Theory for High-Angular-Resolution Photoelectron Holograms Considering the Inelastic Mean Free Path and the Formation Mechanism of Quasi-Kikuchi Band

Matsushita, T; Muro, T; Yokoya, T; Terashima, K; Kato, Y; Matsui, H; Maejima, N; Hashimoto, Y; Mats … 全著者表示

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 257 ( 11 ) 2020年11月

ISSN: 0370-1972

DOI
Tracking the Local Structure Change during the Photoabsorption Processes of Photocatalysts by the Ultrafast Pump-Probe XAFS Method

Uemura, Y; Yokoyama, T; Katayama, T; Nozawa, S; Asakura, K

APPLIED SCIENCES-BASEL 10 ( 21 ) 2020年11月

DOI
Transferability of Sigma Enlarging Bridge Function for Lennard-Jones Diatomic Solute Using Monatomic Solvent Correlation Obtained from Molecular Dynamics Simulation

Miyata, T; Yabuki, N; Leung, J

CHEMISTRY LETTERS 49 ( 11 ) 1372 - 1375 2020年11月

ISSN: 0366-7022

DOI
Synergistic Effects of Pt and Cd Codoping to Icosahedral Au13 Superatoms

Suyama, M; Takano, S; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 43 ) 23923 - 23929 2020年10月29日

ISSN: 1932-7447

DOI
Thermal and Nonthermal Microwave Effects of Ethanol and Hexane-Mixed Solution as Revealed by In Situ Microwave Irradiation Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation

Tasei, Y; Mijiddorj, B; Fujito, T; Kawamura, I; Ueda, K; Naito, A

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 43 ) 9615 - 9624 2020年10月29日

ISSN: 1520-6106

DOI
Density functional theory for molecular liquids based on interaction site model and self-consistent integral equations for site-site pair correlation functions

Yagi, T; Sato, H

JOURNAL OF CHEMICAL PHYSICS 153 ( 16 ) 2020年10月28日

ISSN: 0021-9606

DOI
Supramolecular Chirality Synchronization in Thin Films of Plasmonic Nanocomposites

Szustakiewicz, P; Kowalska, N; Grzelak, D; Narushima, T; Góra, M; Baginski, M; Pociecha, D; Okamoto … 全著者表示

ACS NANO 14 ( 10 ) 12918 - 12928 2020年10月27日

ISSN: 1936-0851

DOI
Synthesis and Structural Analysis of Four Coordinate (Arylimido)niobium(V) Dimethyl Complexes Containing Phenoxide Ligand: MAO-Free Ethylene Polymerization by the Cationic Nb(V)-Methyl Complex

Koide, K; Yi, J; Kuboki, M; Yamazoe, S; Nakatani, N; Nomura, K

ORGANOMETALLICS 39 ( 20 ) 3742 - 3758 2020年10月26日

ISSN: 0276-7333

DOI
Domain architecture divergence leads to functional divergence in binding and catalytic domains of bacterial and fungal cellobiohydrolases

Nakamura, A; Ishiwata, D; Visootsat, A; Uchiyama, T; Mizutani, K; Kaneko, S; Murata, T; Igarashi, K … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 295 ( 43 ) 14606 - 14617 2020年10月23日

ISSN: 0021-9258

DOI
Asymmetric Hydrogen-Bonding Structure at a Water/Ice Interface

Ishiyama, T; Kitanaka, K

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 42 ) 23287 - 23294 2020年10月22日

ISSN: 1932-7447

DOI
Application of cup-shaped trilactams for selective extraction of volatile compounds by gas chromatography-mass spectrometry

Sartyoungkul, S; Thaveesangsakulthai, I; Cabello, MKE; Kulsing, C; Sakurai, H

ANALYST 145 ( 20 ) 6668 - 6676 2020年10月21日

ISSN: 0003-2654

DOI
Confinement of Water-Soluble Cationic Substrates in a Cationic Molecular Cage by Capping the Portals with Tripodal Anions

Takezawa, H; Tabuchi, R; Sunohara, H; Fujita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 42 ) 17919 - 17922 2020年10月21日

ISSN: 0002-7863

DOI
Cu(i)/sucrose-catalyzed hydroxylation of arenes in water: the dual role of sucrose

Watanabe, K; Takagi, M; Watanabe, A; Murata, S; Takita, R

ORGANIC & BIOMOLECULAR CHEMISTRY 18 ( 39 ) 7827 - 7831 2020年10月21日

ISSN: 1477-0520

DOI
Biomolecular Binding at Aqueous Interfaces of Langmuir Monolayers of Bioconjugated Amphiphilic Mesogenic Molecules: A Molecular Dynamics Study

Watanabe, G; Eimura, H; Abbott, NL; Kato, T

LANGMUIR 36 ( 41 ) 12281 - 12287 2020年10月20日

ISSN: 0743-7463

DOI
Catalytic Reductive Alkylation of Amines in Batch and Microflow Conditions Using a Silicon-Wafer-Based Palladium Nanocatalyst

Sato, T; Uozumi, Y; Yamada, YMA

ACS OMEGA 5 ( 41 ) 26938 - 26945 2020年10月20日

ISSN: 2470-1343

DOI
Combined Approach to Engineer a Highly Active Mutant of Processive Chitinase Hydrolyzing Crystalline Chitin

Visootsat, A; Nakamura, A; Wang, TW; Iino, R

ACS OMEGA 5 ( 41 ) 26807 - 26816 2020年10月20日

ISSN: 2470-1343

DOI
Visualizing the helical stacking of octahedral metallomesogens with a chiral core

Watanabe, G; Watanabe, H; Suzuki, K; Yuge, H; Yoshida, S; Mandai, T; Yoneda, S; Sato, H; Hara, M; Y … 全著者表示

CHEMICAL COMMUNICATIONS 56 ( 81 ) 12134 - 12137 2020年10月18日

ISSN: 1359-7345

DOI
Mechanistic Study on Deoxydehydration and Hydrogenation of Methyl Glycosides to Dideoxy Sugars over a ReOx-Pd/CeO2 Catalyst

Cao, J; Tamura, M; Hosaka, R; Nakayama, A; Hasegawa, JY; Nakagawa, Y; Tomishige, K

ACS CATALYSIS 10 ( 20 ) 12040 - 12051 2020年10月16日

ISSN: 2155-5435

DOI
"Watching" a Molecular Twist in a Protein by Raman Optical Activity

Matsuo, J; Kikukawa, T; Fujisawa, T; Hoff, WD; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 20 ) 8579 - 8584 2020年10月15日

ISSN: 1948-7185

DOI
Quadrupole Contribution of C=O Vibrational Band in Sum Frequency Generation Spectra of Organic Carbonates

Wang, L; Mori, W; Morita, A; Kondoh, M; Okuno, M; Ishibashi, TA

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 20 ) 8527 - 8531 2020年10月15日

ISSN: 1948-7185

DOI
Synthesis, Structure, and Complexation of an S-Shaped Double Azahelicene with Inner-Edge Nitrogen Atoms

Kawashima, T; Matsumoto, Y; Sato, T; Yamada, YMA; Kono, C; Tsurusaki, A; Kamikawa, K

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 58 ) 13170 - 13176 2020年10月15日

ISSN: 0947-6539

DOI
Tetranuclear zigzag Ag4 and Ag2Pt2 complexes supported by rac-Ph2PCH2P(Ph)CH2P(Ph)CH2PPh2 (rac-dpmppm)

Tanase, T; Otaki, R; Nakamae, K; Ura, Y; Nakajima, T

JOURNAL OF ORGANOMETALLIC CHEMISTRY 925 2020年10月15日

ISSN: 0022-328X

DOI
"Eggs in egg cartons": co-crystallization to embed molecular cages into crystalline lattices

Domoto, Y; Abe, M; Yamamoto, K; Kikuchi, T; Fujita, M

CHEMICAL SCIENCE 11 ( 38 ) 10457 - 10460 2020年10月14日

ISSN: 2041-6520

DOI
Attenuated total reflectance far-ultraviolet and deep-ultraviolet spectroscopy analysis of the electronic structure of a dicyanamide-based ionic liquid with Li+

Imai, M; Tanabe, I; Ikehata, A; Ozaki, Y; Fukui, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 38 ) 21768 - 21775 2020年10月14日

ISSN: 1463-9076

DOI
Theoretical prediction of superconductivity in monolayer h-BN doped with alkaline-earth metals (Ca, Sr, Ba)

Shimada, NH; Minamitani, E; Watanabe, S

JOURNAL OF PHYSICS-CONDENSED MATTER 32 ( 43 ) 2020年10月14日

ISSN: 0953-8984

DOI
Conformation and Orientation of Branched Acyl Chains Responsible for the Physical Stability of Diphytanoylphosphatidylcholine

Tsuchikawa, H; Ono, T; Yamagami, M; Umegawa, Y; Shinoda, W; Murata, M

BIOCHEMISTRY 59 ( 40 ) 3929 - 3938 2020年10月13日

ISSN: 0006-2960

DOI
Coupled-oscillator collective mode of a magnetic chiral soliton lattice

Hoshi, K; Kishine, JI; Ohe, JI

PHYSICAL REVIEW B 102 ( 13 ) 2020年10月12日

ISSN: 2469-9950

DOI
Hemisphere and Distance-Dependent Steric Analysis of PNN Iron Pincer Complexes Using SambVca 2.1 and Its Influence on Alkene Hydrosilylation

Kamitani, M; Yujiri, K; Yuge, H

ORGANOMETALLICS 39 ( 19 ) 3535 - 3539 2020年10月12日

ISSN: 0276-7333

DOI
Intense Red-Blue Luminescence Based on Superfine Control of Metal-Metal Interactions for Self-Assembled Platinum(II) Complexes

Saito, D; Ogawa, T; Yoshida, M; Takayama, J; Hiura, S; Murayama, A; Kobayashi, A; Kato, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 42 ) 18723 - 18730 2020年10月12日

ISSN: 1433-7851

DOI
Nanocellulose enriches enantiomers in asymmetric aldol reactions

Ranaivoarimanana, NJ; Habaki, X; Uto, T; Kanomata, K; Yui, T; Kitaoka, T

RSC ADVANCES 10 ( 61 ) 37064 - 37071 2020年10月11日

DOI
Enhanced DNA repair by DNA photolyase bearing an artificial light-harvesting chromophore

Terai, Y; Sato, R; Matsumura, R; Iwai, S; Yamamoto, J

NUCLEIC ACIDS RESEARCH 48 ( 18 ) 10076 - 10086 2020年10月09日

ISSN: 0305-1048

DOI
Strongly parity-mixed superconductivity in the Rashba-Hubbard model

Nogaki, K; Yanase, Y

PHYSICAL REVIEW B 102 ( 16 ) 2020年10月09日

ISSN: 2469-9950

DOI
Extending nudged elastic band method to reaction pathways involving multiple spin states

Zhao, LM; Watanabe, K; Nakatani, N; Nakayama, A; Xu, X; Hasegawa, J

JOURNAL OF CHEMICAL PHYSICS 153 ( 13 ) 2020年10月07日

ISSN: 0021-9606

DOI
Synthesis of dithieno [2,3-d:2′,3′-d′]anthra[1,2-b:5,6-b′]dithiophene (DTADT) units: Structure, polymerization, DFT study, and OFET application

Hanamura, H; Watanabe, M; Tanabiki, M; Saito, H; Sugita, H; Mikami, K

POLYMER 206 2020年10月07日

ISSN: 0032-3861

DOI
Vibronic coupling density analysis and quantum dynamics simulation for singlet fission in pentacene and its halogenated derivatives

Nagami, T; Tonami, T; Okada, K; Yoshida, W; Miyamoto, H; Nakano, M

JOURNAL OF CHEMICAL PHYSICS 153 ( 13 ) 2020年10月07日

ISSN: 0021-9606

DOI
Energy landscape study of water splitting and H2evolution at a ruthenium(II) pincer complex

Yoshida, Y; Yokoi, H; Sato, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 26 ) 2240 - 2250 2020年10月05日

ISSN: 0192-8651

DOI
Pseudo-Membrane Jackets: Two-Dimensional Coordination Polymers Achieving Visible Phase Separation in Cell Membrane

Ohtani, R; Kawano, K; Kinoshita, M; Yanaka, S; Watanabe, H; Hirai, K; Futaki, S; Matsumori, N; Uji- … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 41 ) 17931 - 17937 2020年10月05日

ISSN: 1433-7851

DOI
Development of a laser-induced breakdown spectroscopy system using a ceramic micro-laser for fiber-optic remote analysis

Tamura, K; Ohba, H; Saeki, M; Taguchi, T; Lim, HH; Taira, T; Wakaida, I

JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY 57 ( 10 ) 1189 - 1198 2020年10月02日

ISSN: 0022-3131

DOI
Development of highly active hydrogen evolution reaction (HER) catalysts composed of reduced graphene oxide and amorphous molybdenum sulfides derived from (NH4)2MoOmS4-m (m=0, 1, and 2)

Sera, Y; Seto, S; Isobe, K; Hashimoto, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 401 2020年10月01日

ISSN: 1010-6030

DOI
Hydroxide Ion Carrier for Proton Pumps in Bacteriorhodopsin: Primary Proton Transfer

Ono, J; Imai, M; Nishimura, Y; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 39 ) 8524 - 8539 2020年10月01日

ISSN: 1520-6106

DOI
Intramolecular Dispersion Attraction in Tetraalkylammonium Cations Revealed by Cryogenic Ion Mobility Mass Spectrometry

Ohshimo, K; Sato, R; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 39 ) 7999 - 8004 2020年10月01日

ISSN: 1089-5639

DOI
Molecular-Scale Solvation Structures of Ionic Liquids on a Heterogeneously Charged Surface

Umeda, K; Kobayashi, K; Minato, T; Yamada, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 19 ) 8094 - 8099 2020年10月01日

ISSN: 1948-7185

DOI
Synthesis of Porphyrinquinone and Doubly-Fused Diporphyrin Quinone Through Oxidation of Diarylporphyrins Using a Hypervalent Iodine Compound

Yamashita, K; Hirano, D; Fujimaki, K; Sugiura, K

CHEMISTRY-AN ASIAN JOURNAL 15 ( 19 ) 3037 - 3043 2020年10月01日

ISSN: 1861-4728

DOI
The effect of a two-dimensional structure on the dielectric constant and photovoltaic characteristics

Mishima, K; Sakai, T; Yokota, K; Taniguchi, M; Aso, Y; Ie, Y; Yamashita, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 401 2020年10月01日

ISSN: 1010-6030

DOI
A comparison of geometries and electronic structure of plumbogummite (PbAl3P2O14H6), Pb2P4O12 and Pb2P2O7

Koizumi, K; Hashizume, D; Umeda, J; Kimura, M; Yokota, T; Ito, M; Iguchi, A; Nakamura, S

CHEMICAL PHYSICS LETTERS 756 2020年10月

ISSN: 0009-2614

DOI
Electric Field Effect on Graphene/Organic Interface under Bias Voltage

Lida, K

CHEMISTRY LETTERS 49 ( 10 ) 1117 - 1120 2020年10月

ISSN: 0366-7022

DOI
Free energy profile of permeation of Entecavir through Hepatitis B virus capsid studied by molecular dynamics calculation

Fujimoto, K; Fukai, M; Urano, R; Shinoda, W; Ishikawa, T; Omagari, K; Tanaka, Y; Nakagawa, A; Okaza … 全著者表示

PURE AND APPLIED CHEMISTRY 92 ( 10 ) 1585 - 1594 2020年10月

ISSN: 0033-4545

DOI
Increase in CO2 reduction rate via optical near-field effect

Yatsui, T; Nakamura, Y; Suzuki, Y; Morimoto, T; Kato, Y; Yamamoto, M; Yoshida, T; Kurashige, W; Shi … 全著者表示

JOURNAL OF NANOPHOTONICS 14 ( 4 ) 2020年10月

ISSN: 1934-2608

DOI
Pt-Pd Nanoalloy for the Unprecedented Activation of Carbon-Fluorine Bond at Low Temperature

Dhital, RN; Nomura, K; Sato, Y; Haesuwannakij, S; Ehara, M; Sakurai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 93 ( 10 ) 1180 - 1185 2020年10月

ISSN: 0009-2673

DOI
Triskelion-Shaped π-Luminophores Bearing Coumarin: Syntheses, Structures, and Luminescence Properties

Ueda, M; Kokubun, M; Mazaki, Y

CHEMPHOTOCHEM 4 ( 10 ) 5159 - 5167 2020年10月

ISSN: 2367-0932

DOI
Metal Complexes of 5,15-Porphyrinquinones: Systematic Study of Crystal Structure, Electronic Structure, and Lewis Acidity

Yamashita, K; Hirano, D; Sugiura, K

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2020 ( 36 ) 3507 - 3516 2020年09月30日

ISSN: 1434-1948

DOI
Methane Borylation Catalyzed by Ru, Rh, and Ir Complexes in Comparison with Cyclohexane Borylation: Theoretical Understanding and Prediction

Zhong, RL; Sakaki, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 39 ) 16732 - 16747 2020年09月30日

ISSN: 0002-7863

DOI
Excimer emission and magnetoluminescence of radical-based zinc(II) complexes doped in host crystals

Kimura, S; Kimura, S; Nishihara, H; Kusamoto, T

CHEMICAL COMMUNICATIONS 56 ( 76 ) 11195 - 11198 2020年09月28日

ISSN: 1359-7345

DOI
Molecular dynamics simulation of soundwave propagation in a simple fluid

Asano, Y; Watanabe, H; Noguchi, H

JOURNAL OF CHEMICAL PHYSICS 153 ( 12 ) 2020年09月28日

ISSN: 0021-9606

DOI
Molecular dynamics study of grain boundaries and triple junctions in ice

Yagasaki, T; Matsumoto, M; Tanaka, H

JOURNAL OF CHEMICAL PHYSICS 153 ( 12 ) 2020年09月28日

ISSN: 0021-9606

DOI
Au3Si4- and Au4Si4: Electronically Equivalent but Different Polarity Superatoms

Koyasu, K; Tsuruoka, K; Kameoka, S; Tsai, AP; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 38 ) 7710 - 7715 2020年09月24日

ISSN: 1089-5639

DOI
Bright Solvent-Free Luminescent Liquid with Magnetism Composed of a Thiocyanate Complex of Ce(III)

Iimori, T; Sugawa, H; Uchida, N

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 38 ) 8317 - 8322 2020年09月24日

ISSN: 1520-6106

DOI
Constrained Density Functional Theory Molecular Dynamics Simulation of Deprotonation in Aqueous Silicic Acid

Joutsuka, T; Ando, K

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 38 ) 8323 - 8330 2020年09月24日

ISSN: 1520-6106

DOI
Self-Associating Curved π-Electronic Systems with Electron-Donating and Hydrogen-Bonding Properties

Haketa, Y; Miyasue, M; Kobayashi, Y; Sato, R; Shigeta, Y; Yasuda, N; Tamai, N; Maeda, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 38 ) 16420 - 16428 2020年09月23日

ISSN: 0002-7863

DOI
Single-Molecule Junction of a Cationic Rh(III) Polyyne Molecular Wire

Tanaka, Y; Ohmura, K; Fujii, S; Tada, T; Kiguchi, M; Akita, M

INORGANIC CHEMISTRY 59 ( 18 ) 13254 - 13261 2020年09月21日

ISSN: 0020-1669

DOI
Ultrafast Exciton Self-Trapping and Delocalization in Cycloparaphenylenes: The Role of Excited-State Symmetry in Electron-Vibrational Coupling

Kim, J; Kishi, R; Kayahara, E; Kim, W; Yamago, S; Nakano, M; Kim, D

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 39 ) 16989 - 16996 2020年09月21日

ISSN: 1433-7851

DOI
Optical property control of π-electronic systems bearing Lewis pairs by ion coordination

Yanbe, T; Mizuguchi, K; Yamakado, R; Okada, S

CHEMICAL COMMUNICATIONS 56 ( 73 ) 10654 - 10657 2020年09月18日

ISSN: 1359-7345

DOI
Solvation-Free Li+ Lewis Acid Enhancing Reaction: Kinetic Study of [5,6]-Li+@PCBM to [6,6]-Li+@PCBM

Ma, Y; Ueno, H; Okada, H; Manzhos, S; Matsuo, Y

ORGANIC LETTERS 22 ( 18 ) 7239 - 7243 2020年09月18日

ISSN: 1523-7060

DOI
Substitution of O with a Single Au Atom as an Electron Acceptor in Al Oxide Clusters

Mafuné, F; Liu, XN; Zhang, YF; Kudoh, S

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 37 ) 7511 - 7517 2020年09月17日

ISSN: 1089-5639

DOI
Sigma enlarging bridge function for heteronuclear Lennard-Jones diatomic solute solvated in a Lennard-Jones monatomic solvent in terms of the parameter transferability

Miyata, T

CHEMICAL PHYSICS LETTERS 755 2020年09月16日

ISSN: 0009-2614

DOI
Zeolite-supported ultra-small nickel as catalyst for selective oxidation of methane to syngas

Yasuda, S; Osuga, R; Kunitake, Y; Kato, K; Fukuoka, A; Kobayashi, H; Gao, M; Hasegawa, JY; Manabe, … 全著者表示

COMMUNICATIONS CHEMISTRY 3 ( 1 ) 2020年09月16日

ISSN: 2399-3669

DOI
CNC-pincer iron complexes containing a bis(N-heterocyclic carbene) Amido ligand: Synthesis and application to catalytic hydrogenation of alkenes

Taniguchi, W; Ito, J; Yamashita, M

JOURNAL OF ORGANOMETALLIC CHEMISTRY 923 2020年09月15日

ISSN: 0022-328X

DOI
Crossover in periodic length dependence of thermal conductivity in 5d element substituted Fe2VAl-based superlattices

Choi, S; Hiroi, S; Inukai, M; Nishino, S; Sobota, R; Byeon, D; Mikami, M; Minamitani, E; Matsunami, … 全著者表示

PHYSICAL REVIEW B 102 ( 10 ) 2020年09月15日

ISSN: 2469-9950

DOI
Molecular size and shape effects: Rotational diffusion and the Stokes-Einstein-Debye relation

Ohtori, N; Kondo, Y; Ishii, Y

JOURNAL OF MOLECULAR LIQUIDS 314 2020年09月15日

ISSN: 0167-7322

DOI
An Ultrastable, Small {Ag7}5+Nanocluster within a Triangular Hollow Polyoxometalate Framework

Yonesato, K; Ito, H; Yokogawa, D; Yamaguchi, K; Suzuki, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 38 ) 16361 - 16365 2020年09月14日

ISSN: 1433-7851

DOI
Infrared spectroscopic observation of the McLafferty rearrangement in ionized 2-pentanone

Yasumoto, R; Matsuda, Y; Fujii, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 34 ) 19230 - 19237 2020年09月14日

ISSN: 1463-9076

DOI
Synthesis and H-conductivity of a new oxyhydride Ba2YHO3with anion-ordered rock-salt layers

Nawaz, H; Takeiri, F; Kuwabara, A; Yonemura, M; Kobayashi, G

CHEMICAL COMMUNICATIONS 56 ( 71 ) 10373 - 10376 2020年09月14日

ISSN: 1359-7345

DOI
Synthesis of and Structural Insights into Contact Ion Pair and Solvent-Separated Ion Pair Diphenyliridate Complexes

Iwasaki, T; Akaiwa, T; Hirooka, Y; Pal, S; Nozaki, K; Kambe, N

ORGANOMETALLICS 39 ( 17 ) 3077 - 3081 2020年09月14日

ISSN: 0276-7333

DOI
Non-naturally Occurring Regio Isomer of Lysophosphatidylserine Exhibits Potent Agonistic Activity toward G Protein-Coupled Receptors

Nakamura, S; Sayama, M; Uwamizu, A; Jung, SJ; Ikubo, M; Otani, Y; Kano, K; Omi, J; Inoue, A; Aoki, … 全著者表示

JOURNAL OF MEDICINAL CHEMISTRY 63 ( 17 ) 9990 - 10029 2020年09月10日

ISSN: 0022-2623

DOI
Role of Initial and Final States in Molecular Spectroscopies: Example of Tetraphenyldibenzoperiflanthene (DBP) on Graphite

Kirchhuebel, T; Kera, S; Munakata, T; Ueno, N; Shiraishi, R; Yamaguchi, T; Yonezawa, K; Ueba, T; Bu … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 36 ) 19622 - 19638 2020年09月10日

ISSN: 1932-7447

DOI
Theoretical Study on Singlet Fission Dynamics in Sumanene-Fused Acene Dimers

Okada, K; Nakano, M; Miyamoto, H; Nakazawa, H; Uetake, Y; Sakurai, H

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 36 ) 19499 - 19507 2020年09月10日

ISSN: 1932-7447

DOI
Free-Energy Calculation of Ribonucleic Inosines and Its Application to Nearest-Neighbor Parameters

Sakuraba, S; Iwakiri, J; Hamada, M; Kameda, T; Tsuji, G; Kimura, Y; Abe, H; Asai, K

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 9 ) 5923 - 5935 2020年09月08日

ISSN: 1549-9618

DOI
Multiple odd-parity superconducting phases in bilayer transition metal dichalcogenides

Kanasugi, S; Yanase, Y

PHYSICAL REVIEW B 102 ( 9 ) 2020年09月08日

ISSN: 2469-9950

DOI
Theoretical Insight into Thermodynamically Optimal U@C84: Three-Electron Transfer Rather Than Four-Electron Transfer

Zhao, YX; Yuan, K; Han, YB; Li, MY; Ehara, M; Zhao, X

INORGANIC CHEMISTRY 59 ( 17 ) 12650 - 12658 2020年09月08日

ISSN: 0020-1669

DOI
Femtosecond Polarization Switching in the Crystal of a [CrCo] Dinuclear Complex

Kuramochi, H; Aoyama, G; Okajima, H; Sakamoto, A; Kanegawa, S; Sato, O; Takeuchi, S; Tahara, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 37 ) 15865 - 15869 2020年09月07日

ISSN: 1433-7851

DOI
Terminal-oxidant-free photocatalytic C-H alkylations of heteroarenes with alkylsilicates as alkyl radical precursors

Ikarashi, G; Morofuji, T; Kano, N

CHEMICAL COMMUNICATIONS 56 ( 69 ) 10006 - 10009 2020年09月07日

ISSN: 1359-7345

DOI
Collision-Induced Reductive Elimination of 1,3-Diynes from [MAu24(CCR)18]2- (M = Pd, Pt) Yielding Clusters of Superatoms

Ito, S; Koyasu, K; Takano, S; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 35 ) 19119 - 19125 2020年09月03日

ISSN: 1932-7447

DOI
Alkyl-Substituted Selenium-Bridged V-Shaped Organic Semiconductors Exhibiting High Hole Mobility and Unusual Aggregation Behavior

Okamoto, T; Mitani, M; Yu, CP; Mitsui, C; Yamagishi, M; Ishii, H; Watanabe, G; Kumagai, S; Hashizum … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 35 ) 14974 - 14984 2020年09月02日

ISSN: 0002-7863

DOI
Negatively Curved Nanographene with Heptagonal and [5]Helicene Units

Qiu, ZJ; Asako, S; Hu, YB; Ju, CW; Liu, T; Rondin, L; Schollmeyer, D; Lauret, JS; Müllen, K; Narita … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 35 ) 14814 - 14819 2020年09月02日

ISSN: 0002-7863

DOI
Azimuthal-rotation sample holder for molecular orientation analysis

Harano, T; Takeichi, Y; Ohigashi, T; Shindo, D; Nemoto, E; Wakabayashi, D; Yamashita, S; Murao, R; … 全著者表示

JOURNAL OF SYNCHROTRON RADIATION 27 1167 - 1171 2020年09月

ISSN: 0909-0495

DOI
Creation of negatively curved polyaromatics enabled by annulative coupling that forms an eight-membered ring

Matsubara, S; Koga, Y; Segawa, Y; Murakami, K; Itami, K

NATURE CATALYSIS 3 ( 9 ) 710 - 718 2020年09月

ISSN: 2520-1158

DOI
Penning ionization electron spectroscopy of anisole, thioanisole, and selenoanisole by collision with He*(23S): Conjugation effects and conformational stability

Ishiguro, Y; Yamakita, Y; Hayashi, N

CHEMICAL PHYSICS LETTERS 754 2020年09月

ISSN: 0009-2614

DOI
Structure dependency of the reactivity of aromatic hydrocarbons involving the formation of oxygenated polycyclic aromatic hydrocarbons (OPAHs)

Kayanuma, M; Suzuki, S; Choe, YK; Shimoi, Y

CHEMICAL PHYSICS LETTERS 754 2020年09月

ISSN: 0009-2614

DOI
Theoretical and Experimental Studies on the Near-Infrared Photoreaction Mechanism of a Silicon Phthalocyanine Photoimmunotherapy Dye: Photoinduced Hydrolysis by Radical Anion Generation

Kobayashi, M; Harada, M; Takakura, H; Ando, K; Goto, Y; Tsuneda, T; Ogawa, M; Taketsugu, T

CHEMPLUSCHEM 85 ( 9 ) 1959 - 1963 2020年09月

ISSN: 2192-6506

DOI
Quantum design for singlet-fission-induced nonlinear optical systems: Effects of <bold>π</bold>-conjugation length and molecular packing of butterfly-shaped acenes

Tonami, T; Nagami, T; Okada, K; Yoshida, W; Miyamoto, H; Nakano, M

JOURNAL OF CHEMICAL PHYSICS 153 ( 8 ) 2020年08月28日

ISSN: 0021-9606

DOI
Sequential growth of iridium cluster anions based on simple cubic packing

Koyasu, K; Tomihara, R; Nagata, T; Wu, JWJ; Nakano, M; Ohshimo, K; Misaizu, F; Tsukuda, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 32 ) 17842 - 17846 2020年08月28日

ISSN: 1463-9076

DOI
Theoretical Molecular Design of Phenanthrenes for Singlet Fission by Diazadibora-Substitution

Nagami, T; Miyamoto, H; Yoshida, W; Okada, K; Tonami, T; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 34 ) 6778 - 6789 2020年08月27日

ISSN: 1089-5639

DOI
Interactive-quantum-chemical-descriptors enabling accurate prediction of an activation energy through machine learning

Mikami, K

POLYMER 203 2020年08月26日

ISSN: 0032-3861

DOI
Cesium Cation Complexation by a Flavin Receptor via Self-Assembly and Deprotonation

Oka, Y

ACS OMEGA 5 ( 33 ) 21226 - 21230 2020年08月25日

ISSN: 2470-1343

DOI
Tuning the circadian period of cyanobacteria up to 6.6 days by the single amino acid substitutions in KaiC

Ito-Miwa, K; Furuike, Y; Akiyama, S; Kondo, T

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 117 ( 34 ) 20926 - 20931 2020年08月25日

ISSN: 0027-8424

DOI
Late-Stage Modification of Electronic Properties of Antiaromatic and Diradicaloid Indeno[1,2-b]fluorene Analogues via Sulfur Oxidation

Dressler, JJ; Barker, JE; Karas, LJ; Hashimoto, HE; Kishi, R; Zakharov, LN; MacMillan, SN; Gomez-Ga … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 85 ( 16 ) 10846 - 10857 2020年08月21日

ISSN: 0022-3263

DOI
General Synthesis of Trialkyl- and Dialkylarylsilylboranes: Versatile Silicon Nucleophiles in Organic Synthesis

Shishido, R; Uesugi, M; Takahashi, R; Mita, T; Ishiyama, T; Kubota, K; Ito, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 33 ) 14125 - 14133 2020年08月19日

ISSN: 0002-7863

DOI
Convergent evolution of processivity in bacterial and fungal cellulases

Uchiyama, T; Uchihashi, T; Nakamura, A; Watanabe, H; Kaneko, S; Samejima, M; Igarashi, K

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 117 ( 33 ) 19896 - 19903 2020年08月18日

ISSN: 0027-8424

DOI
Energetics and kinetics of substrate analog-coupled staphylococcal nuclease folding revealed by a statistical mechanical approach

Mizukami, T; Furuzawa, S; Itoh, SG; Segawa, S; Ikura, T; Ihara, K; Okumura, H; Roder, H; Maki, K

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 117 ( 33 ) 19953 - 19962 2020年08月18日

ISSN: 0027-8424

DOI
Palladium-Catalyzed Regioselective and Stereospecific Ring-Opening Cross-Coupling of Aziridines: Experimental and Computational Studies

Takeda, Y; Sameera, WMC; Minakata, S

ACCOUNTS OF CHEMICAL RESEARCH 53 ( 8 ) 1686 - 1702 2020年08月18日

ISSN: 0001-4842

DOI
Petahertz non-linear current in a centrosymmetric organic superconductor

Kawakami, Y; Amano, T; Ohashi, H; Itoh, H; Nakamura, Y; Kishida, H; Sasaki, T; Kawaguchi, G; Yamamo … 全著者表示

NATURE COMMUNICATIONS 11 ( 1 ) 2020年08月18日

ISSN: 2041-1723

DOI
Tautomeric Effect of Histidine on β-Sheet Formation of Amyloid Beta 1-40: 2D-IR Simulations

Nam, Y; Kalathingal, M; Saito, S; Lee, JY

BIOPHYSICAL JOURNAL 119 ( 4 ) 831 - 842 2020年08月18日

ISSN: 0006-3495

DOI
Hydrogen/deuterium adsorption and absorption properties on and in palladium using a combined plane wave and localized basis set method

Sakagami, H; Tachikawa, M; Ishimoto, T

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 120 ( 16 ) 2020年08月15日

ISSN: 0020-7608

DOI
Quick Operando Ambient Pressure Hard X-ray Photoelectron Spectroscopy for Reaction Kinetic Measurements of Polymer Electrolyte Fuel Cells

Nakamura, T; Takagi, Y; Chaveanghong, S; Uruga, T; Tada, M; Iwasawa, Y; Yokoyama, T

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 32 ) 17520 - 17527 2020年08月13日

ISSN: 1932-7447

DOI
Dramatic Enhancement of Tip-Enhanced Raman Scattering Mediated by Atomic Point Contact Formation

Liu, SY; Cirera, B; Sun, Y; Hamada, I; Müller, M; Hammud, A; Wolf, M; Kumagai, T

NANO LETTERS 20 ( 8 ) 5879 - 5884 2020年08月12日

ISSN: 1530-6984

DOI
Promiscuous Enzymes Cooperate at the Substrate Level En Route to Lactazole A

Vinogradov, AA; Shimomura, M; Kano, N; Goto, Y; Onaka, H; Suga, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 32 ) 13886 - 13897 2020年08月12日

ISSN: 0002-7863

DOI
Reversible Color and Shape Changes of Nanostructured Fibers of a Macrocyclic π-Extended Thiophene Hexamer Promoted by Adsorption and Desorption of Organic Vapor

Iyoda, M; Takashika, M; Hasegawa, M; Otani, H; Mizuno, S; Miwa, K; Kariya, W; Fujiwara, T; Shimizu, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 32 ) 13662 - 13666 2020年08月12日

ISSN: 0002-7863

DOI
Thermoresponsive property of well-defined poly (N-methyl-N-n-propylacrylamide) and its copolymer architectures prepared by hydrosilylation-promoted group transfer polymerization

Li, J; Mizutani, S; Sato, S; Narumi, A; Haba, O; Kawaguchi, S; Kakuchi, T; Shen, XD

POLYMER 202 2020年08月12日

ISSN: 0032-3861

DOI
Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

Baiz, CR; Blasiak, B; Bredenbeck, J; Cho, M; Choi, JH; Corcelli, SA; Dijkstra, AG; Feng, CJ; Garret … 全著者表示

CHEMICAL REVIEWS 120 ( 15 ) 7152 - 7218 2020年08月12日

ISSN: 0009-2665

DOI
Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide

Mori, Y; Okazaki, K; Mori, T; Kim, K; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 153 ( 5 ) 2020年08月07日

ISSN: 0021-9606

DOI
Orientational ordering in heteroepitaxial water ice on metal surfaces

Sugimoto, T; Matsumoto, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 29 ) 16453 - 16466 2020年08月07日

ISSN: 1463-9076

DOI
Photodissociation processes of a water-oxygen complex cation studied by an ion imaging technique

Nakashima, Y; Ito, Y; Okutsu, K; Nakano, M; Misaizu, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 29 ) 16926 - 16933 2020年08月07日

ISSN: 1463-9076

DOI
Folding and Assembly of Metal-Linked Peptidic Nanostructures

Sawada, T; Fujita, M

CHEM 6 ( 8 ) 1861 - 1876 2020年08月06日

ISSN: 2451-9294

DOI
Palladium/Copper-catalyzed Oxidation of Aliphatic Terminal Alkenes to Aldehydes Assisted byp-Benzoquinone

Komori, S; Yamaguchi, Y; Murakami, Y; Kataoka, Y; Ura, Y

CHEMCATCHEM 12 ( 15 ) 3946 - 3955 2020年08月06日

ISSN: 1867-3880

DOI
Photon Energy-Dependent Ultrafast Photoinduced Terahertz Response in a Microcrystalline Film of CH3NH3PbBr3

Okochi, H; Katsuki, H; Tsubouchi, M; Itakura, R; Yanagi, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 15 ) 6068 - 6076 2020年08月06日

ISSN: 1948-7185

DOI
Current-induced bulk magnetization of a chiral crystal CrNb3S6

Nabei, Y; Hirobe, D; Shimamoto, Y; Shiota, K; Inui, A; Kousaka, Y; Togawa, Y; Yamamoto, HM

APPLIED PHYSICS LETTERS 117 ( 5 ) 2020年08月03日

ISSN: 0003-6951

DOI
Synthesis of Dinuclear Mo-Fe Hydride Complexes and Catalytic Silylation of N2

Ishihara, K; Araki, Y; Tada, M; Takayama, T; Sakai, Y; Sameera, WMC; Ohki, Y

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 43 ) 9537 - 9546 2020年08月03日

ISSN: 0947-6539

DOI
Photoelectron based soft x-ray detector for removing high order x rays

Nagasaka, M; Iwayama, H

REVIEW OF SCIENTIFIC INSTRUMENTS 91 ( 8 ) 2020年08月01日

ISSN: 0034-6748

DOI
Straintronic effect for superconductivity enhancement in Li-intercalated bilayer MoS2

Mano, P; Minamitani, E; Watanabe, S

NANOSCALE ADVANCES 2 ( 8 ) 3150 - 3155 2020年08月01日

ISSN: 2516-0230

DOI
A DFT Study on FeI/FeII/FeIIIMechanism of the Cross-Coupling between Haloalkane and Aryl Grignard Reagent Catalyzed by Iron-SciOPP Complexes

Sharma, AK; Nakamura, M

MOLECULES 25 ( 16 ) 2020年08月

DOI
A Robust Double-walled Knotted Cage Revealed Guest Binding through Adaptive Portal Expansion

Tamura, Y; Takezawa, H; Fujita, M

CHEMISTRY LETTERS 49 ( 8 ) 912 - 914 2020年08月

ISSN: 0366-7022

DOI
Effect of Film Thickness on Structural Stability for BAlN and BGaN Alloys: Bond-Order Interatomic Potential Calculations

Hasegawa, Y; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 257 ( 8 ) 2020年08月

ISSN: 0370-1972

DOI
Separation of D-amino acid-containing peptide phenylseptin using 3,3′-phenyl-1,1′-binaphthyl-18-crown-6-ether columns

Kawamura, I; Mijiddorj, B; Kayano, Y; Matsuo, Y; Ozawa, Y; Ueda, K; Sato, H

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1868 ( 8 ) 2020年08月

ISSN: 1570-9639

DOI
Solid-state vibrational circular dichroism studies on the conformation of an amino acid molecule in crystalline state

Sato, H; Kawamura, I

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1868 ( 8 ) 2020年08月

ISSN: 1570-9639

DOI
Tools for quantum simulation with ultracold atoms in optical lattices

Schäfer, F; Fukuhara, T; Sugawa, S; Takasu, Y; Takahashi, Y

NATURE REVIEWS PHYSICS 2 ( 8 ) 411 - 425 2020年08月

DOI
Chemical-State-Dependent Free Energy Profile from Single-Molecule Trajectories of Biomolecular Motors: Application to Processive Chitinase

Okazaki, K; Nakamura, A; Iino, R

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 30 ) 6475 - 6487 2020年07月30日

ISSN: 1520-6106

DOI
Diprotonative stabilization of ring-opened carbocationic intermediates: conversion of tetrahydroisoquinoline to triarylmethanes

Kurouchi, H

CHEMICAL COMMUNICATIONS 56 ( 59 ) 8313 - 8316 2020年07月28日

ISSN: 1359-7345

DOI
A dinuclear Mo2H8complex supported by bulky C5H2tBu3ligands

Ohki, S; Ishihara, K; Yaoi, M; Tada, M; Sameera, WMC; Cramer, RE

CHEMICAL COMMUNICATIONS 56 ( 58 ) 8035 - 8038 2020年07月25日

ISSN: 1359-7345

DOI
Equilibrium and thermodynamic studies of chromic overcrowded fluorenylidene-acridanes with modified fluorene moieties

Wang, Y; Ma, Y; Ogumi, K; Wang, B; Nakagawa, T; Fu, Y; Matsuo, Y

COMMUNICATIONS CHEMISTRY 3 ( 1 ) 2020年07月24日

ISSN: 2399-3669

DOI
Highly Modified Lanostane Triterpenes from the Wood-Rot Basidiomycete Ganoderma colossus: Comparative Chemical Investigations of Natural and Artificially Cultivated Fruiting Bodies and Mycelial Cultures

Isaka, M; Chinthanom, P; Choeyklin, R; Thummarukcharoen, T; Rachtawee, P; Sappan, M; Srichomthong, … 全著者表示

JOURNAL OF NATURAL PRODUCTS 83 ( 7 ) 2066 - 2075 2020年07月24日

ISSN: 0163-3864

DOI
Experimental and Computational Analyses of the Oxidation Mechanism of the Poly(arylsilane) Family as the Side Reaction during the Baking Process

Kobayashi, O; Noda, K; Ikuma, N; Shiota, D; Ishimoto, T; Tachikawa, M

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 29 ) 16149 - 16158 2020年07月23日

ISSN: 1932-7447

DOI
Microstructural and Electronic Properties of the YSZ/CeO2 Interface via Multiscale Modeling

Ghuman, KK; Gilardi, E; Pergolesi, D; Kilner, J; Lippert, T

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 29 ) 15680 - 15687 2020年07月23日

ISSN: 1932-7447

DOI
A Nonalternant Aromatic Belt: Methylene-Bridged [6]Cycloparaphenylene Synthesized from Pillar[6]arene

Li, YM; Segawa, Y; Yagi, A; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 29 ) 12850 - 12856 2020年07月22日

ISSN: 0002-7863

DOI
Dual In Situ Generation of Aliphatic Vinyl Ethers and Electron-Deficient ortho-Quinone Methides for Inverse-Electron-Demand [4+2] Cycloaddition: A Selective One-Pot Synthesis of 3-Alkylchromanes

Tanaka, K; Ueno, K; Tanaka, Y; Ohtsuka, N; Asada, Y; Kishimoto, M; Sunaga, S; Hoshino, Y; Honda, K

SYNLETT 31 ( 12 ) 1197 - 1200 2020年07月22日

ISSN: 0936-5214

DOI
Luminescent ionic liquid formed from a melted rhenium(v) cluster

Yanagisawa, J; Hiraoka, T; Kobayashi, F; Saito, D; Yoshida, M; Kato, M; Takeiri, F; Kobayashi, G; O … 全著者表示

CHEMICAL COMMUNICATIONS 56 ( 57 ) 7957 - 7960 2020年07月21日

ISSN: 1359-7345

DOI
Photoelectron spectroscopy on single crystals of organic semiconductors: experimental electronic band structure for optoelectronic properties

Nakayama, Y; Kera, S; Ueno, N

JOURNAL OF MATERIALS CHEMISTRY C 8 ( 27 ) 9090 - 9132 2020年07月21日

ISSN: 2050-7526

DOI
Alternative Route Triggering Multistep Spin Crossover with Hysteresis in an Iron(II) Family Mediated by Flexible Anion Ordering

Hagiwara, H; Minoura, R; Udagawa, T; Mibu, K; Okabayashi, J

INORGANIC CHEMISTRY 59 ( 14 ) 9866 - 9880 2020年07月20日

ISSN: 0020-1669

DOI
Thermal Molecular Motion Can Amplify Intermolecular Magnetic Interactions

Uchida, Y; Watanabe, G; Akita, T; Nishiyama, N

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 28 ) 6175 - 6180 2020年07月16日

ISSN: 1520-6106

DOI
Weighted histogram analysis method for multiple short-time metadynamics simulations

Ono, J; Nakai, H

CHEMICAL PHYSICS LETTERS 751 2020年07月16日

ISSN: 0009-2614

DOI
Evaluation of artificial crystalline structure from amylose analog polysaccharide without hydroxy groups at C-2 position

Uto, T; Nakamura, S; Yamamoto, K; Kadokawa, J

CARBOHYDRATE POLYMERS 240 2020年07月15日

ISSN: 0144-8617

DOI
Hierarchical parallelization of divide-and-conquer density functional tight-binding molecular dynamics and metadynamics simulations

Nishimura, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 19 ) 1759 - 1772 2020年07月15日

ISSN: 0192-8651

DOI
Identification of hydrogen bonds using quantum electrodynamics

Senami, M; Ito, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 120 ( 14 ) 2020年07月15日

ISSN: 0020-7608

DOI
Low-Temperature Magnetism in a Triangular-Lattice Antiferromagnet, Cu3(OH)4(HCO2)2, Studied by Calorimetry

Isono, T; Machida, Y; Fujita, W

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 89 ( 7 ) 2020年07月15日

ISSN: 0031-9015

DOI
Mechanical and Vibrational Properties of Three-Dimensional Dimer Packings Near the Jamming Transition

Shiraishi, K; Mizuno, H; Ikeda, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 89 ( 7 ) 2020年07月15日

ISSN: 0031-9015

DOI
Thermodynamic Investigation on Antiferromagnetic Ordered State of the Molecular π-d System λ-(BEDT-STF)2FeCl4

Fukuoka, S; Minamidate, T; Matsunaga, N; Ihara, Y; Kawamoto, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 89 ( 7 ) 2020年07月15日

ISSN: 0031-9015

DOI
Tight-Binding Model and Electronic Property of Dirac Nodal Line in Single-Component Molecular Conductor [Pt(dmdt)2]

Kawamura, T; Ohki, D; Zhou, B; Kobayashi, A; Kobayashi, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 89 ( 7 ) 2020年07月15日

ISSN: 0031-9015

DOI
Machine-learning approach for constructing control landscape maps of three-dimensional alignment of asymmetric-top molecules

Namba, T; Yoshida, M; Ohtsuki, Y

JOURNAL OF CHEMICAL PHYSICS 153 ( 2 ) 2020年07月14日

ISSN: 0021-9606

DOI
Synthesis of cycloiptycenes from carbon nanobelts

Shudo, H; Kuwayama, M; Segawa, Y; Itami, K

CHEMICAL SCIENCE 11 ( 26 ) 6775 - 6779 2020年07月14日

ISSN: 2041-6520

DOI
Visualization of the Dynamics Effect: Projection of on-the-Fly Trajectories to the Subspace Spanned by the Static Reaction Path Network

Tsutsumi, T; Ono, Y; Arai, Z; Taketsugu, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 7 ) 4029 - 4037 2020年07月14日

ISSN: 1549-9618

DOI
N-Doping of Polyaromatic Capsules: Small Cavity Modification Leads to Large Change in Host-Guest Interactions

Dobashi, H; Catti, L; Tanaka, Y; Akita, M; Yoshizawa, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 29 ) 11881 - 11885 2020年07月13日

ISSN: 1433-7851

DOI
Electronic States and Nonradiative Decay of Cold Gas-Phase Cinnamic Acid Derivatives Studied by Laser Spectroscopy with a Laser-Ablation Technique

Iida, Y; Kinoshita, SN; Kenjo, S; Muramatsu, S; Inokuchi, Y; Zhu, CY; Ebata, T

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 27 ) 5580 - 5589 2020年07月09日

ISSN: 1089-5639

DOI
Theoretical study on aromatic and open-shell characteristics of carbon nanobelts composed of indeno[1,2-b]fluorene units: dependence on the number of units and charge states

Kishi, R; Yamane, M; Sugiura, R; Yoshida, W; Shimizu, Y; Nakano, M

RSC ADVANCES 10 ( 43 ) 25736 - 25745 2020年07月08日

DOI
Covalent interactions depend on the distances between metals and fullerenes for thermodynamically stable M@C78(M = La, Ce, and Sm)

Li, MY; Zhao, YX; Han, YB; Yuan, K; Zhang, KN; Chen, YQ; Ehara, M; Nagase, S; Zhao, X

INORGANIC CHEMISTRY FRONTIERS 7 ( 13 ) 2538 - 2547 2020年07月07日

ISSN: 2052-1553

DOI
Dopant arrangements in Y-doped BaZrO3 under processing conditions and their impact on proton conduction: a large-scale first-principles thermodynamics study

Kasamatsu, S; Sugino, O; Ogawa, T; Kuwabara, A

JOURNAL OF MATERIALS CHEMISTRY A 8 ( 25 ) 12674 - 12686 2020年07月07日

ISSN: 2050-7488

DOI
Effect of the Packing Density on the Surface Hydrophobicity of ω-Functionalized (-CF3, -CH3, -OCH3, and -OH) Self-Assembled Monolayers: A Molecular Dynamics Study

Yadav, HOS; Kuo, AT; Urata, S; Shinoda, W

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 26 ) 14237 - 14244 2020年07月02日

ISSN: 1932-7447

DOI
Pivotal Role of Interdigitation in Interleaflet Interactions: Implications from Molecular Dynamics Simulations

Seo, S; Murata, M; Shinoda, W

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 13 ) 5171 - 5176 2020年07月02日

ISSN: 1948-7185

DOI
Effect of Step Edges on Adsorption Behavior for GaN(0001) Surfaces during Metalorganic Vapor Phase Epitaxy: An Ab Initio Study

Ohka, T; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

CRYSTAL GROWTH & DESIGN 20 ( 7 ) 4358 - 4365 2020年07月01日

ISSN: 1528-7483

DOI
Synthesis and Photovoltaic Properties of Boron β-Ketoiminate Dyes Forming a Linear Donor-π-Acceptor Structure

Sakura, Y; Yumioka, F; Funaki, T; Ono, K

CHEMISTRY-AN ASIAN JOURNAL 15 ( 13 ) 1982 - 1989 2020年07月01日

ISSN: 1861-4728

DOI
Ab initio calculations for the effect of wet oxidation condition on the reaction mechanism at 4H-SiC/SiO2 interface

Shimizu, T; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T; Kageshima, H; Uematsu, M; Shiraishi, K

JAPANESE JOURNAL OF APPLIED PHYSICS 59 2020年07月

ISSN: 0021-4922

DOI
Histidine Decorated Nanoparticles of CdS for Highly Efficient H2Production via Water Splitting

Tojo, F; Ishizaki, M; Kubota, S; Kurihara, M; Hirose, F; Ahmmad, B

ENERGIES 13 ( 14 ) 2020年07月

DOI
Impact of Enantiomeric Ligand Composition on the Photophysical Properties of Chiral Ag29 Nanoclusters

Yoshida, H; Kumar, J; Ehara, M; Okajima, Y; Asanoma, F; Kawai, T; Nakashima, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 93 ( 7 ) 834 - 840 2020年07月

ISSN: 0009-2673

DOI
Solvent Selection Scheme Using Machine Learning Based on Physicochemical Description of Solvent Molecules: Application to Cyclic Organometallic Reaction

Fujinami, M; Maekawara, H; Isshiki, R; Seino, J; Yamaguchi, J; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 93 ( 7 ) 841 - 845 2020年07月

ISSN: 0009-2673

DOI
The effects of possible contamination by sample holders on samples to be returned by Hayabusa2

Shirai, N; Karouji, Y; Kumagai, K; Uesugi, M; Hirahara, K; Ito, M; Tomioka, N; Uesugi, K; Yamaguchi … 全著者表示

METEORITICS & PLANETARY SCIENCE 55 ( 7 ) 1665 - 1680 2020年07月

ISSN: 1086-9379

DOI
Surface-enhanced Raman scattering of M2-pyrazine-M2 (M = Cu, Ag, Au): Analysis by natural perturbation orbitals and density functional theory functional dependence

Miyamoto, M; Hada, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 17 ) 1628 - 1637 2020年06月30日

ISSN: 0192-8651

DOI
Exact long-range Coulombic energy calculation for net charged systems neutralized by uniformly distributed background charge using fast multipole method and its application to efficient free energy calculation

Urano, R; Shinoda, W; Yoshii, N; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 152 ( 24 ) 2020年06月28日

ISSN: 0021-9606

DOI
Finite-temperature-based time-dependent density-functional theory method for static electron correlation systems

Yoshikawa, T; Doi, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 152 ( 24 ) 2020年06月28日

ISSN: 0021-9606

DOI
Origin of aggregation-induced enhanced emission: role of pseudo-degenerate electronic states of excimers formed in aggregation phases

Ota, W; Takahashi, K; Higashiguchi, K; Matsuda, K; Sato, T

JOURNAL OF MATERIALS CHEMISTRY C 8 ( 24 ) 8036 - 8046 2020年06月28日

ISSN: 2050-7526

DOI
Solution XANES and EXAFS analysis of active species of titanium, vanadium complex catalysts in ethylene polymerisation/dimerisation and syndiospecific styrene polymerisation

Yi, J; Nakatani, N; Nomura, K

DALTON TRANSACTIONS 49 ( 24 ) 8008 - 8028 2020年06月28日

ISSN: 1477-9226

DOI
Solving the Schrodinger equation of the hydrogen molecule with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of π symmetry

Kurokawa, YI; Nakashima, H; Nakatsuji, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 24 ) 13489 - 13497 2020年06月28日

ISSN: 1463-9076

DOI
An alternative interpretation of the slow KaiB-KaiC binding of the cyanobacterial clock proteins

Koda, S; Saito, S

SCIENTIFIC REPORTS 10 ( 1 ) 2020年06月26日

ISSN: 2045-2322

DOI
Forelimb movements evoked by optogenetic stimulation of the macaque motor cortex

Watanabe, H; Sano, H; Chiken, S; Kobayashi, K; Fukata, Y; Fukata, M; Mushiake, H; Nambu, A

NATURE COMMUNICATIONS 11 ( 1 ) 2020年06月26日

DOI
Metallically gradated silicon nanowire and palladium nanoparticle composites as robust hydrogenation catalysts

Yamada, YMA; Baek, H; Sato, T; Nakao, A; Uozumi, Y

COMMUNICATIONS CHEMISTRY 3 ( 1 ) 2020年06月26日

ISSN: 2399-3669

DOI
Photoinduced Pyramidal Inversion Behavior of Phosphanes Involved with Aggregation-Induced Emission Behavior

Machida, T; Iwasa, T; Taketsugu, T; Sada, K; Kokado, K

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 36 ) 8028 - 8034 2020年06月26日

ISSN: 0947-6539

DOI
Basic Principle of Photoinduced Charge Separation for TiO2-TCNQ Surface Complex Revealed by a Multibody Model

Jono, R; Awai, F; Kondo, T; Kawaraya, M; Nakazaki, J; Bessho, T; Segawa, H

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 25 ) 13535 - 13540 2020年06月25日

ISSN: 1932-7447

DOI
Mechanoresponsive turn-on phosphorescence by a desymmetrization approach

Tani, Y; Komura, M; Ogawa, T

CHEMICAL COMMUNICATIONS 56 ( 50 ) 6810 - 6813 2020年06月25日

ISSN: 1359-7345

DOI
Temperature dependence of the Kondo resonance in the photoemission spectra of the heavy-fermion compounds YbXCu4 (X = Mg, Cd, and Sn)

Anzai, H; Morikawa, K; Shiono, H; Sato, H; Ideta, SI; Tanaka, K; Zhuang, T; Matsumoto, KT; Hiraoka, … 全著者表示

PHYSICAL REVIEW B 101 ( 23 ) 2020年06月25日

ISSN: 2469-9950

DOI
Anion-Responsive π-Electronic Systems Exhibiting Diverse Conformations and Stoichiometries in Anion Binding

Haketa, Y; Naganawa, A; Sugiura, S; Yasuda, N; Maeda, H

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2020 ( 23 ) 3491 - 3498 2020年06月23日

ISSN: 1434-193X

DOI
Multinuclear Copper Hydride Complexes Supported by Polyphosphine Ligands

Nakajima, T; Nakamae, K; Ura, Y; Tanase, T

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2020 ( 23 ) 2211 - 2226 2020年06月23日

ISSN: 1434-1948

DOI
Bridged Stilbenes: AIEgens Designed via a Simple Strategy to Control the Non-radiative Decay Pathway

Iwai, R; Suzuki, S; Sasaki, S; Sairi, AS; Igawa, K; Suenobu, T; Morokuma, K; Konishi, G

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 26 ) 10566 - 10573 2020年06月22日

ISSN: 1433-7851

DOI
Ultrafast Creation of Overlapping Rydberg Electrons in an Atomic BEC and Mott-Insulator Lattice

Mizoguchi, M; Zhang, Y; Kunimi, M; Tanaka, A; Takeda, S; Takei, N; Bharti, V; Koyasu, K; Kishimoto, … 全著者表示

PHYSICAL REVIEW LETTERS 124 ( 25 ) 2020年06月22日

ISSN: 0031-9007

DOI
Ligand effects on the photophysical properties of N,N′-diisopropylbenzimidazolylidene-protected C-centered hexagold(I) clusters

Lei, Z; Nagata, K; Ube, H; Shionoya, M

JOURNAL OF ORGANOMETALLIC CHEMISTRY 917 2020年06月21日

ISSN: 0022-328X

DOI
Theoretical Design of Photofunctional Molecular Aggregates for Optical Properties: An Inverse Design Approach

Shiraogawa, T; Ehara, M

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 24 ) 13329 - 13337 2020年06月18日

ISSN: 1932-7447

DOI
Domain-based local pair natural orbital CCSD(T) calculations of strongly correlated electron systems: Examination of dynamic equilibrium models based on multiple intermediates in S1 state of photosystem II*

Miyagawa, K; Kawakami, T; Suzuki, Y; Isobe, H; Shoji, M; Yamanaka, S; Okumura, M; Nakajima, T; Yama … 全著者表示

MOLECULAR PHYSICS 118 ( 12 ) 2020年06月17日

ISSN: 0026-8976

DOI
Femtosecond time-evolution of mid-infrared spectral line shapes of Dirac fermions in topological insulators

Yeh, TT; Tu, CM; Lin, WH; Cheng, CM; Tzeng, WY; Chang, CY; Shirai, H; Fuji, T; Sankar, R; Chou, FC; … 全著者表示

SCIENTIFIC REPORTS 10 ( 1 ) 2020年06月17日

ISSN: 2045-2322

DOI
Inverse Hamiltonian method assisted by the complex scaling technique for solving the Dirac-Coulomb equation: Helium isoelectronic atoms

Nakashima, H; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 749 2020年06月16日

ISSN: 0009-2614

DOI
Spin-flip approach within time-dependent density functional tight-binding method: Theory and applications

Inamori, M; Yoshikawa, T; Ikabata, Y; Nishimura, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 16 ) 1538 - 1548 2020年06月15日

ISSN: 0192-8651

DOI
Trajectory on-the-fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropolone

Ootani, Y; Satoh, A; Harabuchi, Y; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 16 ) 1549 - 1556 2020年06月15日

ISSN: 0192-8651

DOI
Bi-layering at ionic liquid surfaces: a sum-frequency generation vibrational spectroscopy- and molecular dynamics simulation-based study

Iwahashi, T; Ishiyama, T; Sakai, Y; Morita, A; Kim, D; Ouchi, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 22 ) 12565 - 12576 2020年06月14日

ISSN: 1463-9076

DOI
Characterization of amyloid β fibril formation under microgravity conditions

Yagi-Utsumi, M; Yanaka, S; Song, CH; Satoh, T; Yamazaki, C; Kasahara, H; Shimazu, T; Murata, K; Kat … 全著者表示

NPJ MICROGRAVITY 6 ( 1 ) 2020年06月12日

DOI
Crystal structure characterization of some π-conjugated ionic crystals toward electronic applications

Kodama, S; Aoyama, S; Tanaka, Y; Ichijo, K; Yoshida, T; Yamakado, R; Okada, S

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 704 ( 1 ) 1 - 9 2020年06月12日

ISSN: 1542-1406

DOI
Diindenoanthracene Diradicaloids Enable Rational, Incremental Tuning of Their Singlet-Triplet Energy Gaps

Dressler, JJ; Valdivia, AC; Kishi, R; Rudebusch, GE; Ventura, AM; Chastain, BE; Gómez-García, CJ; Z … 全著者表示

CHEM 6 ( 6 ) 1353 - 1368 2020年06月11日

ISSN: 2451-9294

DOI
Property Decoupling across the Embryonic Nucleus-Melt Interface during Polymer Crystal Nucleation

Hall, KW; Percec, S; Shinoda, W; Klein, ML

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 23 ) 4793 - 4804 2020年06月11日

ISSN: 1520-6106

DOI
Theoretical Study of Non-Markov Effects on Singlet Fission Dynamics of Model Pentacene Dimers Using the Second-Order Time-Convolutionless Quantum Master Equation Method

Yoshida, W; Okada, K; Miyamoto, H; Tonami, T; Nagami, T; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 23 ) 12220 - 12229 2020年06月11日

ISSN: 1932-7447

DOI
A New Lipid Force Field (FUJI)

Kamiya, N; Kayanuma, M; Fujitani, H; Shinoda, K

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 6 ) 3664 - 3676 2020年06月09日

ISSN: 1549-9618

DOI
Computational searches for crystal structures of dioxides of group 14 elements (CO2, SiO2, GeO2) under ultrahigh pressure

Nabata, H; Takagi, M; Saita, K; Maeda, S

RSC ADVANCES 10 ( 37 ) 22156 - 22163 2020年06月09日

DOI
Devil's staircase transition of the electronic structures in CeSb

Kuroda, K; Arai, Y; Rezaei, N; Kunisada, S; Sakuragi, S; Alaei, M; Kinoshita, Y; Bareille, C; Noguc … 全著者表示

NATURE COMMUNICATIONS 11 ( 1 ) 2020年06月08日

ISSN: 2041-1723

DOI
One-Electron Reduction of Ti(IV) Complex by Dialkylaluminum(I) Anion Giving the Ti(III) Species

Sugita, K; Yamashita, M

ORGANOMETALLICS 39 ( 11 ) 2125 - 2129 2020年06月08日

ISSN: 0276-7333

DOI
A quantum chemical study of substituent effects on CN bonds in aryl isocyanide molecules adsorbed on the Pt surface

Wang, B; Gao, M; Uosaki, K; Taketsugu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 21 ) 12200 - 12208 2020年06月07日

ISSN: 1463-9076

DOI
Catalytic conversion of ethane to valuable products through non-oxidative dehydrogenation and dehydroaromatization

Saito, H; Sekine, Y

RSC ADVANCES 10 ( 36 ) 21427 - 21453 2020年06月07日

DOI
DFT insight into axial ligand effects on electronic structure and mechanistic reactivity of oxoiron(iv) porphyrin

Ma, ZF; Nakatani, N; Fujii, H; Hada, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 21 ) 12173 - 12179 2020年06月07日

ISSN: 1463-9076

DOI
Propene oxidation catalysis and electronic structure of M55 particles (M = Pd or Rh): differences and similarities between Pd55 and Rh55

Zhu, B; Ehara, M; Sakaki, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 21 ) 11783 - 11796 2020年06月07日

ISSN: 1463-9076

DOI
Advanced Computation Method for Double Core Hole Spectra: Insight into the Nature of Intense Shake-up Satellites

Ferté, A; Palaudoux, J; Penent, F; Iwayama, H; Shigemasa, E; Hikosaka, Y; Soejima, K; Ito, K; Labla … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 11 ) 4359 - 4366 2020年06月04日

ISSN: 1948-7185

DOI
Molecular Design Principle for Efficient Singlet Fission Based on Diradical Characters and Exchange Integrals: Multiple Heteroatom Substitution Effect on Anthracenes

Nagami, T; Okada, K; Miyamoto, H; Yoshida, W; Tonami, T; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 22 ) 11800 - 11809 2020年06月04日

ISSN: 1932-7447

DOI
Oxophilicity as a Descriptor for NO Cleavage Efficiency over Group IX Metal Clusters

Yamaguchi, M; Zhang, YF; Kudoh, S; Koyama, K; Lushchikova, O; Bakker, JM; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 11 ) 4408 - 4412 2020年06月04日

ISSN: 1948-7185

DOI
Simulating the Coupled Structural-Electronic Dynamics of Photoexcited Lead Iodide Perovskites

Uratani, H; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 11 ) 4448 - 4455 2020年06月04日

ISSN: 1948-7185

DOI
Solving the Schrodinger equation of atoms and molecules using one- and two-electron integrals only

Nakatsuji, H; Nakashima, H; Kurokawa, YI

PHYSICAL REVIEW A 101 ( 6 ) 2020年06月04日

ISSN: 2469-9926

DOI
Theoretical Study of Formation of Methanol under Hydrothermal Conditions

Inaba, S

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 22 ) 4496 - 4505 2020年06月04日

ISSN: 1089-5639

DOI
Enantioselective Synthesis of Triple Helicenes by Cross-Cyclotrimerization of a Helicenyl Aryne and Alkynes via Dynamic Kinetic Resolution

Yubuta, A; Hosokawa, T; Gon, M; Tanaka, K; Chujo, Y; Tsurusaki, A; Kamikawa, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 22 ) 10025 - 10033 2020年06月03日

ISSN: 0002-7863

DOI
Scanning tunneling spectroscopy studies of topological materials

Lin, CL; Kawakami, N; Arafune, R; Minamitani, E; Takagi, N

JOURNAL OF PHYSICS-CONDENSED MATTER 32 ( 24 ) 2020年06月03日

ISSN: 0953-8984

DOI
Effect of Fe2O3 coating on ZnO nanowires in photoelectrochemical water splitting: A synchrotron x-ray spectroscopic and spectromicroscopic investigation

Lu, YR; Wang, YF; Chang, HW; Huang, YC; Chen, JL; Chen, CL; Lin, YC; Lin, YG; Pong, WF; Ohigashi, T … 全著者表示

SOLAR ENERGY MATERIALS AND SOLAR CELLS 209 2020年06月01日

ISSN: 0927-0248

DOI
Roles of growth kinetics on GaN non-planar facets under metalorganic vapor phase epitaxy condition

Seta, Y; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

APPLIED PHYSICS EXPRESS 13 ( 6 ) 2020年06月01日

ISSN: 1882-0778

DOI
Site-specificity reduction during Auger decay following Si:2p photoionization in Cl3SiSi(CH3)3 vapor: An interatomic-Coulombic-decaylike process

Nagaoka, S; Takahashi, O; Hikosaka, Y

CHEMICAL PHYSICS 534 2020年06月01日

ISSN: 0301-0104

DOI
A Mechanism for Inducing Compressive Residual Stresses on a Surface by Laser Peening without Coating

Sano, Y; Akita, K; Sano, T

METALS 10 ( 6 ) 2020年06月

DOI
Conformational preference of bicyclic β-amino acid dipeptides

Otani, Y; Park, S; Ohwada, T

CHIRALITY 32 ( 6 ) 790 - 807 2020年06月

ISSN: 0899-0042

DOI
DFT/TD-DFT investigation on the photoinduced electron transfer of diruthenium and viologen complexes

Promkatkaew, M; Suramitr, S; Karpkird, T; Ehara, M; Hannongbua, S

JOURNAL OF LUMINESCENCE 222 2020年06月

ISSN: 0022-2313

DOI
Electronic structure of sumanene-type Buckycatcher by DFT calculations

Muraoka, A; Hayashi, M

CHEMICAL PHYSICS LETTERS 748 2020年06月

ISSN: 0009-2614

DOI
Enhanced reactivity of twisted amides inside a molecular cage

Takezawa, H; Shitozawa, K; Fujita, M

NATURE CHEMISTRY 12 ( 6 ) 574 - + 2020年06月

ISSN: 1755-4330

DOI
Formation of a Dinuclear Rh(I)-/Rh(I)+ Complex Exhibiting MMCT Absorption from Dianionic Diborane(4) through C-H Bond Cleavage

Akiyama, S; Yamashita, M

CHEMISTRY LETTERS 49 ( 6 ) 721 - 723 2020年06月

ISSN: 0366-7022

DOI
Orbital-free density functional theory calculation applying semi-local machine-learned kinetic energy density functional and kinetic potential

Fujinami, M; Kageyama, R; Seino, J; Ikabata, Y; Nakai, H

CHEMICAL PHYSICS LETTERS 748 2020年06月

ISSN: 0009-2614

DOI
Revisiting the Charge-Transfer States at Pentacene/C60Interfaces with the GW/Bethe-Salpeter Equation Approach

Fujita, T; Noguchi, Y; Hoshi, T

MATERIALS 13 ( 12 ) 2020年06月

DOI
Structural characterization of cellulose nanofibers isolated from spent coffee grounds and their composite films with poly(vinyl alcohol): a new non-wood source

Kanai, N; Honda, T; Yoshihara, N; Oyama, T; Naito, A; Ueda, K; Kawamura, I

CELLULOSE 27 ( 9 ) 5017 - 5028 2020年06月

ISSN: 0969-0239

DOI
Synthesis of α-Tertiary Amines by the Ruthenium-catalyzed Regioselective Allylic Amination of Tertiary Allylic Esters

Mizuno, S; Tsuji, H; Uozumi, Y; Kawatsura, M

CHEMISTRY LETTERS 49 ( 6 ) 645 - 647 2020年06月

ISSN: 0366-7022

DOI
Topochemical anion insertion into one-dimensional Bi channels in Bi2PdO4

Takeiri, F; Yajima, T; Hosokawa, S; Matsushita, Y; Kageyama, H

JOURNAL OF SOLID STATE CHEMISTRY 286 2020年06月

ISSN: 0022-4596

DOI
Synthesis, Structure and Reactivities of Pentacoordinated Phosphorus-Boron Bonded Compounds

O'Brien, NJ; Kano, N; Havare, N; Uematsu, R; Ramozzi, R; Morokuma, K

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2020 ( 20 ) 1995 - 2003 2020年05月29日

ISSN: 1434-1948

DOI
Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides

Wang, B; Ong, DY; Li, YH; Pang, JH; Watanabe, K; Takita, R; Chiba, S

CHEMICAL SCIENCE 11 ( 20 ) 5267 - 5272 2020年05月28日

ISSN: 2041-6520

DOI
Synthesis of silyl formates, formamides, and aldehydes via solvent-free organocatalytic hydrosilylation of CO2

Murata, T; Hiyoshi, M; Ratanasak, M; Hasegawa, J; Ema, T

CHEMICAL COMMUNICATIONS 56 ( 43 ) 5783 - 5786 2020年05月28日

ISSN: 1359-7345

DOI
Anisotropic Contraction of a Polyaromatic Capsule and Its Cavity-Induced Compression Effect

Kishida, N; Matsumoto, K; Tanaka, Y; Akita, M; Sakurai, H; Yoshizawa, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 21 ) 9599 - 9603 2020年05月27日

ISSN: 0002-7863

DOI
Arylethynyl Groups That Modulate Anion-Binding and Assembling Modes of Rod- and Fan-Shaped π-Electronic Systems

Watanabe, Y; Haketa, Y; Nakamura, K; Kaname, S; Yasuda, N; Maeda, H

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 30 ) 6767 - 6772 2020年05月26日

ISSN: 0947-6539

DOI
Biaryl Cross-Coupling Enabled by Photo-Induced Electron Transfer

Hayashi, H; Wang, B; Wu, XY; Teo, SJ; Kaga, A; Watanabe, K; Takita, R; Yeow, EKL; Chiba, S

ADVANCED SYNTHESIS & CATALYSIS 362 ( 11 ) 2223 - 2231 2020年05月26日

ISSN: 1615-4150

DOI
Double-Gyroid Nanostructure Formation by Aggregation-Induced Atropisomerization and Co-Assembly of Ionic Liquid-Crystalline Amphiphiles

Uemura, N; Kobayashi, T; Yoshida, S; Li, YX; Goossens, K; Zeng, XB; Watanabe, G; Ichikawa, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 22 ) 8445 - 8450 2020年05月25日

ISSN: 1433-7851

DOI
Magnetic response of a highly nonlinear soliton lattice in a monoaxial chiral helimagnet

Kishine, J; Ovchinnikov, AS

PHYSICAL REVIEW B 101 ( 18 ) 2020年05月22日

ISSN: 2469-9950

DOI
An effective Hamiltonian analysis of a Franck-Condon-like pattern in the IR spectra of phenol-alkylsilane dihydrogen-bonded clusters in the S1 state

Uchida, M; Shimizu, T; Matsumoto, Y; Ishikawa, H

JOURNAL OF CHEMICAL PHYSICS 152 ( 19 ) 2020年05月21日

ISSN: 0021-9606

DOI
Energy transfer-driven regioselective synthesis of functionalized phenanthridines by visible-light Ir photocatalysis

Matsushita, Y; Ochi, R; Tanaka, Y; Koike, T; Akita, M

ORGANIC CHEMISTRY FRONTIERS 7 ( 10 ) 1243 - 1248 2020年05月21日

ISSN: 2052-4129

DOI
Nuclear magnetic shielding of molecule in solution based on reference interaction site model self-consistent field with spatial electron density distribution

Imamura, K; Yamazaki, T; Yokogawa, D; Higashi, M; Sato, H

JOURNAL OF CHEMICAL PHYSICS 152 ( 19 ) 2020年05月21日

ISSN: 0021-9606

DOI
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds

Yan, CT; Takeshita, M; Nakatsuji, JY; Kurosaki, A; Sato, K; Shang, R; Nakamoto, M; Yamamoto, Y; Ada … 全著者表示

CHEMICAL SCIENCE 11 ( 19 ) 5082 - 5088 2020年05月21日

ISSN: 2041-6520

DOI
Tensile deformations of the magnetic chiral soliton lattice probed by Lorentz transmission electron microscopy

Paterson, GW; Tereshchenko, AA; Nakayama, S; Kousaka, Y; Kishine, J; McVitie, S; Ovchinnikov, AS; P … 全著者表示

PHYSICAL REVIEW B 101 ( 18 ) 2020年05月21日

ISSN: 2469-9950

DOI
The key entity of a DCAR agonist, phosphatidylinositol mannoside Ac1PIM1: its synthesis and immunomodulatory function

Arai, Y; Torigoe, S; Matsumaru, T; Yamasaki, S; Fujimoto, Y

ORGANIC & BIOMOLECULAR CHEMISTRY 18 ( 19 ) 3659 - 3663 2020年05月21日

ISSN: 1477-0520

DOI
Theoretical Modeling of Electronic Structures of Polyiodide Species Included in α-Cyclodextrin

Okuda, M; Hiramatsu, T; Yasuda, M; Ishigaki, M; Ozaki, Y; Hayashi, M; Tominaga, K; Chatani, E

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 20 ) 4089 - 4096 2020年05月21日

ISSN: 1520-6106

DOI
Anhydrous Purely Organic Solid-State Proton Conductors: Effects of Molecular Dynamics on the Proton Conductivity of Imidazolium Hydrogen Dicarboxylates

Sunairi, Y; Dekura, S; Ueda, A; Ida, T; Mizuno, M; Mori, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 89 ( 5 ) 2020年05月15日

ISSN: 0031-9015

DOI
Selenacalix[4]selenophene: Synthesis, Structure, and Gel Formation of Cyclic Selenoether of Selenophene

Hasegawa, M; Haga, S; Nishinaga, T; Mazaki, Y

ORGANIC LETTERS 22 ( 10 ) 3755 - 3758 2020年05月15日

ISSN: 1523-7060

DOI
Delocalization of the Excited State and Emission Spectrum of the Platinum(II) Bipyridine Complex in Crystal: Periodic QM/MM Study

Nakagaki, M; Aono, S; Kato, M; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 19 ) 10453 - 10461 2020年05月14日

ISSN: 1932-7447

DOI
Dissecting the Dynamics during Enzyme Catalysis: A Case Study of Pin1 Peptidyl-Prolyl Isomerase

Mori, T; Saito, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 5 ) 3396 - 3407 2020年05月12日

ISSN: 1549-9618

DOI
Synthesis and properties of tetrathiafulvalenes bearing 6-aryl-1,4-dithiafulvenes

Yoshimura, A; Kimura, H; Kagawa, K; Yoshioka, M; Itou, T; Vasu, D; Shirahata, T; Yorimitsu, H; Misa … 全著者表示

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 16 974 - 981 2020年05月12日

ISSN: 1860-5397

DOI
Electron Transfer Mechanism at the Oil/Water Interface Revealed by Multidimensional Free Energy Calculations

Hirano, T; Morita, A

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 18 ) 3811 - 3827 2020年05月07日

ISSN: 1520-6106

DOI
Fluorine-induced emission enhancement of tolanes via formation of tight molecular aggregates

Morita, M; Yamada, S; Konno, T

NEW JOURNAL OF CHEMISTRY 44 ( 17 ) 6704 - 6708 2020年05月07日

ISSN: 1144-0546

DOI
Genomic Profiling by ALaP-Seq Reveals Transcriptional Regulation by PML Bodies through DNMT3A Exclusion

Kurihara, M; Kato, K; Sanbo, C; Shigenobu, S; Ohkawa, Y; Fuchigami, T; Miyanari, Y

MOLECULAR CELL 78 ( 3 ) 493 - + 2020年05月07日

ISSN: 1097-2765

DOI
Realizing large out-of-plane magnetic anisotropy in L10-FeNi films grown by nitrogen-surfactant epitaxy on Cu(001)

Kawaguchi, K; Miyamachi, T; Iimori, T; Takahashi, Y; Hattori, T; Yokoyama, T; Kotsugi, M; Komori, F

PHYSICAL REVIEW MATERIALS 4 ( 5 ) 2020年05月06日

ISSN: 2475-9953

DOI
Theoretical Strategy for Improving CO2 Absorption of Mixed Ionic Liquids Focusing on the Anion Effect: A Comprehensive COSMO-RS Study

Kuroki, N; Maruyama, S; Mori, H

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 59 ( 18 ) 8848 - 8854 2020年05月06日

ISSN: 0888-5885

DOI
Theoretical analysis of the binding of a positron and pair-annihilation in fluorinated benzene molecules

Ono, K; Oyamada, T; Kita, Y; Tachikawa, M

EUROPEAN PHYSICAL JOURNAL D 74 ( 5 ) 2020年05月05日

ISSN: 1434-6060

DOI
Effect of carbon surface on degradation of supercapacitors in a negative potential range

Tang, R; Yamamoto, M; Nomura, K; Morallón, E; Cazorla-Amorós, D; Nishihara, H; Kyotani, T

JOURNAL OF POWER SOURCES 457 2020年05月01日

ISSN: 0378-7753

DOI
Ab initio MRCI study on potential energy curves for a single Cl loss from the palladium tetrachloride anion PdCl42-

Kurosaki, Y; Nakanishi, R; Saeki, M; Ohba, H

CHEMICAL PHYSICS LETTERS 746 2020年05月

ISSN: 0009-2614

DOI
A detailed analysis of the spin-crossover reaction of H2S binding to heme and the six-coordinated FeP(Im)-HS- porphyrin complex

Ostojic, BD; Schwerdtfeger, P; Nakayama, A; Hasegawa, J; Dorcevic, DS

JOURNAL OF INORGANIC BIOCHEMISTRY 206 2020年05月

ISSN: 0162-0134

DOI
Chercher de l'eau: The switching mechanism of the rotary switch ethyl-2-(2(quinolin-8-yl)hydrazono)-2-(pyridin-2-yl)acetate

Deneva, V; Vassilev, NG; Hristova, S; Yordano, D; Hayashi, Y; Kawauchi, S; Fennel, F; Völzer, T; Lo … 全著者表示

COMPUTATIONAL MATERIALS SCIENCE 177 2020年05月

ISSN: 0927-0256

DOI
Crystallographic snapshots of the EF-hand protein MCFD2 complexed with the intracellular lectin ERGIC-53 involved in glycoprotein transport

Satoh, T; Nishio, M; Suzuki, K; Yagi-Utsumi, M; Kamiya, Y; Mizushima, T; Kato, K

ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS 76 216 - 221 2020年05月

DOI
Electron spin resonance, dynamic Jahn-Teller effect, and electric transport mechanism in Na-doped type II silicon clathrates

Yamaga, M; Kishita, T; Goto, K; Sunaba, S; Kume, T; Ban, T; Himeno, R; Ohashi, F; Nonomura, S

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 140 2020年05月

ISSN: 0022-3697

DOI
Quantum Chemical Reaction Prediction Method Based on Machine Learning

Fujinami, M; Seino, J; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 93 ( 5 ) 685 - 693 2020年05月

ISSN: 0009-2673

DOI
UNO(ULO) active space for multireference calculations on classical and quantum computers. Revisit to the iron-sulfur complexes

Miyagawa, K; Shoji, M; Isobe, H; Yamanaka, S; Kawakami, T; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 746 2020年05月

ISSN: 0009-2614

DOI
pH-Dependent photodynamic activity of bis(6-methyl-3-pyridylmethoxy)P(V)tetrakis(p-methoxyphenyl)porphyrin

Hirakawa, K; Onishi, Y; Ouyang, D; Horiuchi, H; Okazaki, S

CHEMICAL PHYSICS LETTERS 746 2020年05月

ISSN: 0009-2614

DOI
Combined computational quantum chemistry and classical electrodynamics approach for surface enhanced infrared absorption spectroscopy

Takenaka, M; Taketsugu, T; Iwasa, T

JOURNAL OF CHEMICAL PHYSICS 152 ( 16 ) 2020年04月30日

ISSN: 0021-9606

DOI
Controlling the nonadiabatic electron-transfer reaction rate through molecular-vibration polaritons in the ultrastrong coupling regime

Phuc, NT; Trung, PQ; Ishizaki, A

SCIENTIFIC REPORTS 10 ( 1 ) 2020年04月30日

ISSN: 2045-2322

DOI
Soft X-ray Absorption Spectroscopy Probes OH•••π Interactions in Epoxy-Based Polymers

Yamane, H; Oura, M; Takahashi, O; Fons, P; Varadwaj, PR; Shimoi, Y; Ohkubo, M; Ishikawa, T; Yamazak … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 17 ) 9622 - 9627 2020年04月30日

ISSN: 1932-7447

DOI
Structure Assignment and Separation of Isomers of Palladium Oxide Cluster Anions Studied by Ion Mobility Mass Spectrometry

Latif, MA; Nagata, T; Nakano, M; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 17 ) 9604 - 9610 2020年04月30日

ISSN: 1932-7447

DOI
Syntheses, Characterizations, and Crystal Structures of Dinitrogen-Divanadium Complexes Bearing Triamidoamine Ligands

Kokubo, Y; Wasada-Tsutsui, Y; Yomura, S; Yanagisawa, S; Kubo, M; Kugimiya, S; Kajita, Y; Ozawa, T; … 全著者表示

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2020 ( 15-16 ) 1456 - 1464 2020年04月30日

ISSN: 1434-1948

DOI
Theoretical analysis of the kinetic isotope effect on carboxylation in RubisCO

Jiang, TL; Moriwaki, K; Kobayashi, O; Ishimura, K; Danielache, SO; Nanbu, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 11 ) 1116 - 1123 2020年04月30日

ISSN: 0192-8651

DOI
Visible-Transparent Aromatic Polymers Obtained by the Polycondensation of a Bis(trifluorovinyl)benzene with Bisphenols

Agou, T; Yoshinari, K; Shirai, T; Yamada, S; Konno, T; Mizuhata, Y; Tokitoh, N; Yasuda, S; Yamazaki … 全著者表示

MACROMOLECULES 53 ( 8 ) 2942 - 2949 2020年04月28日

ISSN: 0024-9297

DOI
Element-selectively tracking ultrafast demagnetization process in Co/Pt multilayer thin films by the resonant magneto-optical Kerr effect

Yamamoto, K; El Moussaoui, S; Hirata, Y; Yamamoto, S; Kubota, Y; Owada, S; Yabashi, M; Seki, T; Tak … 全著者表示

APPLIED PHYSICS LETTERS 116 ( 17 ) 2020年04月27日

ISSN: 0003-6951

DOI
Bright Luminescent Platinum(II)-Biaryl Emitters Synthesized Without Air-Sensitive Reagents

Wakasugi, C; Yoshida, M; Sameera, WMC; Shigeta, Y; Kobayashi, A; Kato, M

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 24 ) 5449 - 5458 2020年04月24日

ISSN: 0947-6539

DOI
A new horizon for vibrational circular dichroism spectroscopy: a challenge for supramolecular chirality

Sato, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 15 ) 7671 - 7679 2020年04月21日

ISSN: 1463-9076

DOI
Charge separation and successive reconfigurations of electronic and protonic states in a water-splitting catalytic cycle with the Mn4CaO5 cluster. On the mechanism of water splitting in PSII

Yamamoto, KY; Takatsuka, KT

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 15 ) 7912 - 7934 2020年04月21日

ISSN: 1463-9076

DOI
Chirality-Induced Spin-Polarized State of a Chiral Crystal CrNb3S6

Inui, A; Aoki, R; Nishiue, Y; Shiota, K; Kousaka, Y; Shishido, H; Hirobe, D; Suda, M; Ohe, J; Kishi … 全著者表示

PHYSICAL REVIEW LETTERS 124 ( 16 ) 2020年04月21日

ISSN: 0031-9007

DOI
Long-distance proton transfer induced by a single ammonia molecule: ion mobility mass spectrometry of protonated benzocaine reacted with NH3

Ohshimo, K; Miyazaki, S; Hattori, K; Misaizu, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 15 ) 8164 - 8170 2020年04月21日

ISSN: 1463-9076

DOI
Observation of short-range Yu-Shiba-Rusinov states with threefold symmetry in layered superconductor 2H-NbSe2

Yang, X; Yuan, Y; Peng, Y; Minamitani, E; Peng, L; Xian, JJ; Zhang, WH; Fu, YS

NANOSCALE 12 ( 15 ) 8174 - 8179 2020年04月21日

ISSN: 2040-3364

DOI
Synthetic-biology-based discovery of a fungal macrolide from Macrophomina phaseolina

Morishita, Y; Sonohara, T; Taniguchi, T; Adachi, K; Fujita, M; Asai, T

ORGANIC & BIOMOLECULAR CHEMISTRY 18 ( 15 ) 2813 - 2816 2020年04月21日

ISSN: 1477-0520

DOI
Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K+ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

Otsuka, R; Hirata, K; Sasaki, Y; Lisy, JM; Ishiuchi, S; Fujii, M

CHEMPHYSCHEM 21 ( 8 ) 712 - 724 2020年04月20日

ISSN: 1439-4235

DOI
Effect of O2 adsorption on the termination of Li-O2 batteries discharge

Li, JD; Gao, M; Tong, SF; Luo, CP; Zhu, HY; Taketsugu, T; Uosaki, K; Wu, MM

ELECTROCHIMICA ACTA 340 2020年04月20日

ISSN: 0013-4686

DOI
Switching of Fluorescent Zn/Cd Selectivity in N,N,N′,N′-Tetrakis(6-methoxy-2-quinolylmethyl)-1,2-diphenylethylenediamine by One Asymmetric Carbon Atom Inversion

Mikata, Y; Nozaki, K; Tanaka, M; Konno, H; Matsumoto, A; Kawamura, M; Sato, SI

INORGANIC CHEMISTRY 59 ( 8 ) 5313 - 5324 2020年04月20日

ISSN: 0020-1669

DOI
Colletofurans A-E, 1-Octyl-1,3-dihydroisobenzofuran Derivatives from Colletotrichum boninense AM-12-2

Ariefta, NR; Azim, M; Aboshi, T; Koseki, T; Taniguchi, Y; Fujita, M; Shiono, Y

ORGANIC LETTERS 22 ( 8 ) 3161 - 3165 2020年04月17日

ISSN: 1523-7060

DOI
Nuclear quantum effect for hydrogen adsorption on Pt(111)

Yan, L; Yamamoto, Y; Shiga, M; Sugino, O

PHYSICAL REVIEW B 101 ( 16 ) 2020年04月16日

ISSN: 2469-9950

DOI
Synthesis of Nitrogen-Containing Polyaromatics by Aza-Annulative π-Extension of Unfunctionalized Aromatics

Kawahara, KP; Matsuoka, W; Ito, H; Itami, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 16 ) 6383 - 6388 2020年04月16日

ISSN: 1433-7851

DOI
Theoretical Investigation of Dissolution and Decomposition Mechanisms of a Cellulose Fiber in Ionic Liquids

Ishida, T

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 15 ) 3090 - 3102 2020年04月16日

ISSN: 1520-6106

DOI
Combination of a Voronoi-Type Complex Absorbing Potential with the XMS-CASPT2 Method and Pilot Applications

Phung, QM; Komori, Y; Yanai, T; Sommerfeld, T; Ehara, M

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 4 ) 2606 - 2616 2020年04月14日

ISSN: 1549-9618

DOI
Control of the toxic conformation of amyloid β42 by intramolecular disulfide bond formation

Matsushima, Y; Yanagita, RC; Irie, K

CHEMICAL COMMUNICATIONS 56 ( 29 ) 4118 - 4121 2020年04月14日

ISSN: 1359-7345

DOI
Kinetic Selection and Relaxation of the Intrinsically Disordered Region of a Protein upon Binding

Tran, DP; Kitao, A

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 4 ) 2835 - 2845 2020年04月14日

ISSN: 1549-9618

DOI
Lennard-Jones Parameters Determined to Reproduce the Solubility of NaCl and KCl in SPC/E, TIP3P, and TIP4P/2005 Water

Yagasaki, T; Matsumoto, M; Tanaka, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 4 ) 2460 - 2473 2020年04月14日

ISSN: 1549-9618

DOI
Toward strong self-healing polyisoprene elastomers with dynamic ionic crosslinks

Miwa, Y; Kurachi, J; Sugino, Y; Udagawa, T; Kutsumizu, S

SOFT MATTER 16 ( 14 ) 3384 - 3394 2020年04月14日

ISSN: 1744-683X

DOI
Unveiling controlling factors of the S0/S1 minimum energy conical intersection (2): Application to penalty function method

Inamori, M; Ikabata, Y; Yoshikawa, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 152 ( 14 ) 2020年04月14日

ISSN: 0021-9606

DOI
Migrations and Catalytic Action of Water Molecules in the Ionized Formamide-(H2O)2 Cluster

Matsuda, Y; Hirano, Y; Mizutani, S; Sakai, D; Fujii, A; Maeda, S; Ohno, K

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 14 ) 2802 - 2807 2020年04月09日

ISSN: 1089-5639

DOI
Selective Transformation of Strychnine and 1,2-Disubstituted Benzenes by C-H Borylation

Saito, Y; Yamanoue, K; Segawa, Y; Itami, K

CHEM 6 ( 4 ) 985 - 993 2020年04月09日

ISSN: 2451-9294

DOI
Existence of weakly interacting OH bond at air/water interface

Ishiyama, T

JOURNAL OF CHEMICAL PHYSICS 152 ( 13 ) 2020年04月07日

ISSN: 0021-9606

DOI
Molecular simulation of the shape deformation of a polymersome

Chakraborty, K; Shinoda, W; Loverde, SM

SOFT MATTER 16 ( 13 ) 3234 - 3244 2020年04月07日

ISSN: 1744-683X

DOI
Thermoresponsive properties of poly(N-isopropyl, N-methylacrylamide) and its statistical and block copolymers with poly(N,N-dimethylacrylamide) prepared by B(C6F5)3-catalyzed group transfer polymerization

Li, J; Mizutani, S; Sato, S; Narumi, A; Haba, O; Kawaguchi, S; Kikuchi, M; Kakuchi, T; Shen, XD

POLYMER CHEMISTRY 11 ( 13 ) 2346 - 2359 2020年04月07日

ISSN: 1759-9954

DOI
An Alumanylyttrium Complex with an Absorption due to a Transition from the Al-Y Bond to an Unoccupied d-Orbital

Sugita, K; Yamashita, M

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 20 ) 4520 - 4523 2020年04月06日

ISSN: 0947-6539

DOI
Fast multipole method for three-dimensional systems with periodic boundary condition in two directions

Yoshii, N; Andoh, Y; Okazaki, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 9 ) 940 - 948 2020年04月05日

ISSN: 0192-8651

DOI
Direct Experimental Evidence for Markedly Enhanced Surface Proton Activity Inherent to Water Ice

Kato, F; Sugimoto, T; Matsumoto, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 7 ) 2524 - 2529 2020年04月02日

ISSN: 1948-7185

DOI
Hydrogen Bonds and Molecular Orientations of Supramolecular Structure between Barbituric Acid and Melamine Derivative at the Air/Water Interface Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy

Okuno, M; Yamada, S; Ohto, T; Tada, H; Nakanishi, W; Ariga, K; Ishibashi, TA

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 7 ) 2422 - 2429 2020年04月02日

ISSN: 1948-7185

DOI
Ab initio study for adsorption and desorption behavior at step edges of AIN(0001) and GaN(0001) surfaces

Akiyama, T; Ohka, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 59 2020年04月01日

ISSN: 0021-4922

DOI
Facile NO-CO elimination over zirconia-coated Cu(110) surfaces: Further evidence from DFT plus U calculations

Koga, H; Hayashi, A; Ato, Y; Tada, K; Hosokawa, S; Tanaka, T; Okumura, M

APPLIED SURFACE SCIENCE 508 2020年04月01日

ISSN: 0169-4332

DOI
Equilibrium Morphologies of Faceted GaN under the Metalorganic Vapor-Phase Epitaxy Condition: Wulff Construction Using Absolute Surface Energies

Seta, Y; Pradipto, AM; Akiyama, T; Nakamura, K; Ito, T

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 257 ( 4 ) 2020年04月

ISSN: 0370-1972

DOI
Photoconversion Mechanism at the pn-Homojunction Interface in Single Organic Semiconductor

Lee, JH; Perrot, A; Hiramoto, M; Izawa, S

MATERIALS 13 ( 7 ) 2020年04月

DOI
Robust, high-performance n-type organic semiconductors

Okamoto, T; Kumagai, S; Fukuzaki, E; Ishii, H; Watanabe, G; Niitsu, N; Annaka, T; Yamagishi, M; Tan … 全著者表示

SCIENCE ADVANCES 6 ( 18 ) 2020年04月

ISSN: 2375-2548

DOI
Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler-Natta Catalyzed Propylene Polymerization

Ratanasak, M; Hasegawa, J; Parasuk, V

POLYMERS 12 ( 4 ) 2020年04月

DOI
The Stokes-Einstein Relation for Non-spherical Molecular Liquids

Ohtori, N; Kondo, Y; Shintani, K; Murakami, T; Nobuta, T; Ishii, Y

CHEMISTRY LETTERS 49 ( 4 ) 379 - 382 2020年04月

ISSN: 0366-7022

DOI
White matter microstructural alterations across four major psychiatric disorders: mega-analysis study in 2937 individuals

Koshiyama, D; Fukunaga, M; Okada, N; Morita, K; Nemoto, K; Usui, K; Yamamori, H; Yasuda, Y; Fujimot … 全著者表示

MOLECULAR PSYCHIATRY 25 ( 4 ) 883 - 895 2020年04月

ISSN: 1359-4184

DOI
Density-Functional Tight-Binding Study of Carbonaceous Species Diffusion on the (100)-γ-Al2O3 Surface

Sakti, AW; Chou, CP; Nakai, H

ACS OMEGA 5 ( 12 ) 6862 - 6871 2020年03月31日

ISSN: 2470-1343

DOI
Helicenes Fused with Hexafluorocyclopentene (HFCP): Synthesis, Structure, and Properties

Agou, T; Kohara, M; Tamura, Y; Yamada, K; Shiitsuka, K; Hosoya, T; Mizuhata, Y; Tokitoh, N; Hayashi … 全著者表示

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2020 ( 12 ) 1871 - 1880 2020年03月31日

ISSN: 1434-193X

DOI
Theoretical analysis of electrode-dependent interfacial structures on hydrate-melt electrolytes

Takenaka, N; Inagaki, T; Shimada, T; Yamada, Y; Nagaoka, M; Yamada, A

JOURNAL OF CHEMICAL PHYSICS 152 ( 12 ) 2020年03月31日

ISSN: 0021-9606

DOI
High peak-power near-MW laser pulses by third harmonic generation at 355 nm in Ca5(BO3)3F nonlinear single crystals

Cassouret, F; Kausas, A; Yahia, V; Aka, G; Loiseau, P; Taira, T

OPTICS EXPRESS 28 ( 7 ) 10524 - 10530 2020年03月30日

ISSN: 1094-4087

DOI
A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition

Tamura, Y; Takezawa, H; Fujita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 12 ) 5504 - 5508 2020年03月25日

ISSN: 0002-7863

DOI
Computational simulation of anion binding association mechanisms contributing toward rotation of pyrrole rings in dipyrrolyldiketone BF2 complexes

Kobayashi, O; Kato, T; Mashiko, T; Haketa, Y; Maeda, H; Tachikawa, M

RSC ADVANCES 10 ( 20 ) 12013 - 12024 2020年03月23日

DOI
Synthesis and Systematic Structural Analysis of Cationic Half-Sandwich Ruthenium Chalcogenocarbonyl Complexes

Suzuki, A; Mutoh, Y; Tsuchida, N; Fung, CW; Kikkawa, S; Azumaya, I; Saito, S

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 17 ) 3795 - 3802 2020年03月23日

ISSN: 0947-6539

DOI
Development of a solvent-polarizable three-dimensional reference interaction-site model theory

Yoshida, N; Yamaguchi, T

JOURNAL OF CHEMICAL PHYSICS 152 ( 11 ) 2020年03月21日

ISSN: 0021-9606

DOI
Rapid improvements in charge carrier mobility at ionic liquid/pentacene single crystal interfaces by self-cleaning

Morino, Y; Yokota, Y; Hara, H; Bando, K; Ono, S; Imanishi, A; Okada, Y; Matsui, H; Uemura, T; Takey … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 11 ) 6131 - 6135 2020年03月21日

ISSN: 1463-9076

DOI
Vanadyl Species Catalyzed 1,2-Oxidative Trifluoromethylation of Unactivated Olefins

Chen, CT; Chen, YP; Tsai, BY; Liao, YY; Su, YC; Chen, TC; Lu, CH; Fujii, R; Kawashima, K; Mori, S

ACS CATALYSIS 10 ( 6 ) 3676 - 3683 2020年03月20日

ISSN: 2155-5435

DOI
Duality of Reactivity of a Biradicaloid Compound with an o-Quinodimethane Scaffold

Sahara, K; Abe, M; Zipse, H; Kubo, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 11 ) 5408 - 5418 2020年03月18日

ISSN: 0002-7863

DOI
Facile Redox-Induced Aromatic-Antiaromatic Interconversion of a β-Tetracyano-21,23-Dithiaporphyrin under Ambient Conditions

Yamashita, K; Nakajima, K; Honda, Y; Ogawa, T

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 16 ) 3633 - 3640 2020年03月18日

ISSN: 0947-6539

DOI
Application of accelerated long-range corrected exchange functional [LC-DFT(2Gau)] to periodic boundary condition systems: CO adsorption on Cu(111) surface

Mishima, K; Kaneko, M; Song, JW; Kawai, H; Yamashita, K; Hirao, K

JOURNAL OF CHEMICAL PHYSICS 152 ( 10 ) 2020年03月14日

ISSN: 0021-9606

DOI
Six-fold C-H borylation of hexa-peri-hexabenzocoronene

Nagase, M; Kato, K; Yagi, A; Segawa, Y; Itami, K

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 16 391 - 397 2020年03月13日

ISSN: 1860-5397

DOI
Mass Spectrometric Characterization of the Partial Oxidation Process of a Gasoline Surrogate Induced by a Dielectric Barrier Discharge

Asakawa, D; Saito, N; Takahashi, E

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 10 ) 2019 - 2028 2020年03月12日

ISSN: 1089-5639

DOI
Photophysical and Thermodynamic Properties of Ag29(BDT)12(TPP)x (x=0-4) Clusters in Secondary Ligand Binding-Dissociation Equilibria Unraveled by Photoluminescence Analysis

Niihori, Y; Takahashi, N; Mitsui, M

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 10 ) 5880 - 5886 2020年03月12日

ISSN: 1932-7447

DOI
Switching of Two-Photon Optical Properties by Anion Binding of Pyrrole-Based Boron Diketonates through Conformation Change

Kita, H; Yamakado, R; Fukuuchi, R; Konishi, T; Kamada, K; Haketa, Y; Maeda, H

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 15 ) 3404 - 3410 2020年03月12日

ISSN: 0947-6539

DOI
Ruthenium Vinylidene Complexes Generated by Selective 1,2-Migration of P- and S-Substituents: Synthesis, Structures, and Dichromism Arising from an Intramolecular CH•••O Hydrogen Bond

Kuwabara, T; Aoki, Y; Sakajiri, K; Deguchi, K; Takamori, S; Hamano, A; Takano, K; Houjou, H; Ishii, … 全著者表示

ORGANOMETALLICS 39 ( 5 ) 711 - 718 2020年03月09日

ISSN: 0276-7333

DOI
Calculation of the ion-ion recombination rate coefficient via a hybrid continuum-molecular dynamics approach

Tamadate, T; Higashi, H; Seto, T; Hogan, CJ

JOURNAL OF CHEMICAL PHYSICS 152 ( 9 ) 2020年03月07日

ISSN: 0021-9606

DOI
Molecular dynamics simulations of amyloid-β(16-22) peptide aggregation at air-water interfaces

Okumura, H; Itoh, SG

JOURNAL OF CHEMICAL PHYSICS 152 ( 9 ) 2020年03月07日

ISSN: 0021-9606

DOI
Open clamshell dinuclear palladium(II) complexes possessing out-of-plane anisotropy

Yamamoto, K; Higuchi, K; Kuwata, S; Hayashi, Y; Kawauchi, S; Takata, T

DALTON TRANSACTIONS 49 ( 9 ) 2781 - 2785 2020年03月07日

ISSN: 1477-9226

DOI
Role of the N-Terminal Transmembrane Helix Contacts in the Activation of FGFR3

Matsuoka, D; Kamiya, M; Sato, T; Sugita, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 6 ) 561 - 572 2020年03月05日

ISSN: 0192-8651

DOI
Transforming Thermal Expansion from Positive to Negative: The Case of Cubic Magnetic Compounds of (Zr,Nb)Fe2

Song, YZ; Sun, Q; Yokoyama, T; Zhu, HH; Li, Q; Huang, RJ; Ren, Y; Huang, QZ; Xing, XR; Chen, J

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 5 ) 1954 - 1961 2020年03月05日

ISSN: 1948-7185

DOI
Exploiting a C-N bond Forming Cytochrome P450 Monooxygenase for C-S Bond Formation

Morita, I; Mori, T; Mitsuhashi, T; Hoshino, S; Taniguchi, Y; Kikuchi, T; Nagae, K; Nasu, N; Fujita, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 10 ) 3988 - 3993 2020年03月02日

ISSN: 1433-7851

DOI
Polarity inversion of crystal quartz using a quasi-phase matching stamp

Ishizuki, H; Taira, T

OPTICS EXPRESS 28 ( 5 ) 6505 - 6510 2020年03月02日

ISSN: 1094-4087

DOI
Development of a sample holder for synchrotron radiation-based computed tomography and diffraction analysis of extraterrestrial materials

Uesugi, M; Hirahara, K; Uesugi, K; Takeuchi, A; Karouji, Y; Shirai, N; Ito, M; Tomioka, N; Ohigashi … 全著者表示

REVIEW OF SCIENTIFIC INSTRUMENTS 91 ( 3 ) 2020年03月01日

ISSN: 0034-6748

DOI
Enhanced surface sensitivity of X-ray photoelectron holography through the example of Bi2Te3(111) surface

Ogorodnikov, II; Kuznetsov, MV; Matsui, F; Usachov, DY; Yashina, LV

APPLIED SURFACE SCIENCE 505 2020年03月01日

ISSN: 0169-4332

DOI
Kinetic and structural insight into a role of the re-face Tyr328 residue of the homodimer type ferredoxin-NADP+ oxidoreductase from Rhodopseudomonas palustris in the reaction with NADP +/NADPH

Seo, D; Muraki, N; Kurisu, G

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1861 ( 3 ) 2020年03月01日

ISSN: 0005-2728

DOI
Theoretical study on 31P NMR chemical shifts of phosphorus-modified CHA zeolites

Zhao, P; Boekfa, B; Nishitoba, T; Tsunoji, N; Sano, T; Yokoi, T; Ogura, M; Ehara, M

MICROPOROUS AND MESOPOROUS MATERIALS 294 2020年03月01日

ISSN: 1387-1811

DOI
Brain morphological and functional features in cognitive subgroups of schizophrenia

Yasuda, Y; Okada, N; Nemoto, K; Fukunaga, M; Yamamori, H; Ohi, K; Koshiyama, D; Kudo, N; Shiino, T; … 全著者表示

PSYCHIATRY AND CLINICAL NEUROSCIENCES 74 ( 3 ) 191 - 203 2020年03月

ISSN: 1323-1316

DOI
Coarse-grained modeling of nanocube self-assembly system and transition network analyses

Imamura, K; Yamamoto, T; Sato, H

CHEMICAL PHYSICS LETTERS 742 2020年03月

ISSN: 0009-2614

DOI
How the protonation state of a phosphorylated amino acid governs molecular recognition: insights from classical molecular dynamics simulations

Kawade, R; Kuroda, D; Tsumoto, K

FEBS LETTERS 594 ( 5 ) 903 - 912 2020年03月

ISSN: 0014-5793

DOI
Ionization and dissociation dynamics of H2O in ultrashort intense near-IR laser fields by the time-dependent adiabatic state method and the time dependent configuration interaction method

Koh, S; Yamazaki, K; Kanno, M; Kono, H; Yamanouchi, K

CHEMICAL PHYSICS LETTERS 742 2020年03月

ISSN: 0009-2614

DOI
Iron-Catalyzed Chemoselective C-N Coupling Reaction: A Protecting-Group-Free Amination of Aryl Halides Bearing Amino or Hydroxy Groups

Aoki, Y; Toyoda, T; Kawasaki, H; Takaya, H; Sharma, AK; Morokuma, K; Nakamura, M

ASIAN JOURNAL OF ORGANIC CHEMISTRY 9 ( 3 ) 372 - 376 2020年03月

ISSN: 2193-5807

DOI
More evidence for bent ro-vibrationally averaged structures of linear triatomic molecules: The non-zero b axis component of the dipole moment and the rg structure in electron diffraction

Hirano, T; Nagashima, U; Baba, M

JOURNAL OF MOLECULAR SPECTROSCOPY 369 2020年03月

ISSN: 0022-2852

DOI
Protective Immunity Elicited by VP1 Chimeric Antigens of Bacterial Ghosts against Hand-Foot-and-Mouth Disease Virus

Gong, SS; Nan, N; Sun, YK; He, ZL; Li, JJ; Chen, FH; Li, T; Ning, NZ; Wang, JX; Li, Z; Luo, DY; Wan … 全著者表示

VACCINES 8 ( 1 ) 2020年03月

DOI
Single-walled carbon nanotube absolute-handedness chirality assignment confirmation using metalized porphyrin's supramolecular structures via STM imaging technique

Abd El-Mageed, AIA; Ogawa, T

CHIRALITY 32 ( 3 ) 345 - 352 2020年03月

ISSN: 0899-0042

DOI
Switching Photomechanical Response by a Structural Phase Transition in a Naphthalene Diimide Derivative

Goto, K; Asada, M; Nakamura, T; Tani, F

CHEMPHOTOCHEM 4 ( 3 ) 218 - 223 2020年03月

ISSN: 2367-0932

DOI
Theoretical Study on Magnetic Interaction in Pyrazole-Bridged Dinuclear Metal Complex: Possibility of Intramolecular Ferromagnetic Interaction by Orbital Counter-Complementarity

Fujii, T; Kitagawa, Y; Ikenaga, K; Tada, H; Era, I; Nakano, M

MAGNETOCHEMISTRY 6 ( 1 ) 2020年03月

DOI
Potential molecular semiconductor devices: cyclo-Cn (n=10 and 14) with higher stabilities and aromaticities than acknowledged cyclo-C18

Li, MY; Gao, ZB; Han, YB; Zhao, YX; Yuan, K; Nagase, S; Ehara, M; Zhao, X

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 8 ) 4823 - 4831 2020年02月28日

ISSN: 1463-9076

DOI
DFT Study of the Hydroxyl Radical Addition to 2′-Deoxyguanosine and the Guanine Base in Four Double-Stranded B-Form Dimers

Yamabe, S; Tsuchida, N; Yamazaki, S

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 8 ) 1374 - 1382 2020年02月27日

ISSN: 1520-6106

DOI
The endocyclic oxygen atom of D-mannopyranose is involved in its binding to pradimicins

Watanabe, Y; Yamaji, F; Ojika, M; Sugawara, T; Akase, D; Aida, M; Igarashi, Y; Ito, Y; Nakagawa, Y

TETRAHEDRON LETTERS 61 ( 9 ) 2020年02月27日

ISSN: 0040-4039

DOI
Copper Complexes Bearing a Dianionic Diborane(4) Ligand: Synthesis and Evaluation of the Donor Property

Akiyama, S; Ikemoto, S; Muratsugu, S; Tada, M; Yamashita, M

ORGANOMETALLICS 39 ( 4 ) 500 - 504 2020年02月24日

ISSN: 0276-7333

DOI
Importance of the Pd and Surrounding Sites in Hydrosilylation of Internal Alkynes by Palladium-Gold Alloy Catalyst

Sadhukhan, T; Junkaew, A; Zhao, P; Miura, H; Shishido, T; Ehara, M

ORGANOMETALLICS 39 ( 4 ) 528 - 537 2020年02月24日

ISSN: 0276-7333

DOI
Unveiling Latent Photoreactivity of Imines

Uraguchi, D; Tsuchiya, Y; Ohtani, T; Enomoto, T; Masaoka, S; Yokogawa, D; Ooi, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 9 ) 3665 - 3670 2020年02月24日

ISSN: 1433-7851

DOI
Arrangement of water molecules and high proton conductivity of tunnel structure phosphates, KMg1-xH2x(PO3)3•yH2O

Matsuda, Y; Funakoshi, K; Sebe, R; Kobayashi, G; Yonemura, M; Imanishi, N; Mori, D; Higashimoto, S

RSC ADVANCES 10 ( 13 ) 7803 - 7811 2020年02月23日

DOI
On the role of intermolecular vibrational motions for ice polymorphs. II. Atomic vibrational amplitudes and localization of phonons in ordered and disordered ices

Tanaka, H; Yagasaki, T; Matsumoto, M

JOURNAL OF CHEMICAL PHYSICS 152 ( 7 ) 2020年02月21日

ISSN: 0021-9606

DOI
Tris(tropolonato) ruthenium as a hub for connecting p-conjugated systems

Yoshida, J; Tateyama, K; Yuge, H

DALTON TRANSACTIONS 49 ( 7 ) 2102 - 2111 2020年02月21日

ISSN: 1477-9226

DOI
Electronic State and Photophysics of 2-Ethylhexyl-4-methoxycinnamate as UV-B Sunscreen under Jet-Cooled Condition

Muramatsu, S; Nakayama, S; Kinoshita, SN; Onitsuka, Y; Kohguchi, H; Inokuchi, Y; Zhu, CY; Ebata, T

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 7 ) 1272 - 1278 2020年02月20日

ISSN: 1089-5639

DOI
Excimer Formation of Aryl Iodides Chemisorbed on Gold Nanoparticles for the Significant Enhancement of Photoluminescence

Maity, P; Sasai, K; Dhital, RN; Sakai, H; Hasobe, T; Sakurai, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 4 ) 1199 - 1203 2020年02月20日

ISSN: 1948-7185

DOI
Microheterogeneity in Aqueous Acetonitrile Solution Probed by Soft X-ray Absorption Spectroscopy

Nagasaka, M; Yuzawa, H; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 7 ) 1259 - 1265 2020年02月20日

ISSN: 1520-6106

DOI
Revealing Transient Shuttling Mechanism of Catalytic Ion Transport through Liquid-Liquid Interface

Koizumi, A; Tahara, H; Hirano, T; Morita, A

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11 ( 4 ) 1584 - 1588 2020年02月20日

ISSN: 1948-7185

DOI
Time-Dependent Density Functional Theory Investigation of Excited State Intramolecular Proton Transfer in Tris(2-hydroxyphenyl)triazasumanene

Sartyoungkul, S; Ehara, M; Sakurai, H

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 7 ) 1227 - 1234 2020年02月20日

ISSN: 1089-5639

DOI
Cycloaddition of Dialkylalumanyl Anion toward Unsaturated Hydrocarbons in (1+2) and (1+4) Modes

Sugita, K; Nakano, R; Yamashita, M

CHEMISTRY-A EUROPEAN JOURNAL 26 ( 10 ) 2174 - 2177 2020年02月17日

ISSN: 0947-6539

DOI
EDEM2 stably disulfide-bonded to TXNDC11 catalyzes the first mannose trimming step in mammalian glycoprotein ERAD

George, G; Ninagawa, S; Yagi, H; Saito, T; Ishikawa, T; Sakuma, T; Yamamoto, T; Imami, K; Ishihama, … 全著者表示

ELIFE 9 2020年02月17日

ISSN: 2050-084X

DOI
Ion-Pairing Assemblies of Porphyrin-AuIII Complexes in Combination with π-Electronic Receptor-Anion Complexes

Tanaka, H; Haketa, Y; Bando, Y; Yamakado, R; Yasuda, N; Maeda, H

CHEMISTRY-AN ASIAN JOURNAL 15 ( 4 ) 494 - 498 2020年02月17日

ISSN: 1861-4728

DOI
Pseudo-Jahn-Teller effect on the lowest triplet state of para-benzoquinone involving inequivalent carbonyl bonds

Nakatani, K; Sato, H; Fukuda, R

CHEMICAL PHYSICS LETTERS 741 2020年02月16日

ISSN: 0009-2614

DOI
Ab initio study for adsorption and desorption behavior at step edges of GaN (0001) surface

Akiyama, T; Ohka, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 532 2020年02月15日

ISSN: 0022-0248

DOI
Ab initio study for adsorption-desorption behavior on InAs wetting layer surface grown on GaAs(001) substrate

Yonemoto, K; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 532 2020年02月15日

ISSN: 0022-0248

DOI
A coarse-grained potential for liquid water by spherically projected hydrogen-bonding interactions

Honda, K

JOURNAL OF MOLECULAR LIQUIDS 300 2020年02月15日

ISSN: 0167-7322

DOI
Inverse Kohn-Sham Equations Derived from the Density Equation Theory

Kato, T; Nobusada, K; Saito, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 89 ( 2 ) 2020年02月15日

ISSN: 0031-9015

DOI
Time-resolved infrared study of photo-induced ring-closure reaction of trans-2-hydroxychalcone

Kondoh, M; Takizawa, C; Okazawa, K; Akase, D; Aida, M; Ishibashi, T

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 389 2020年02月15日

ISSN: 1010-6030

DOI
Typicality-Based Variational Cluster Approach to Thermodynamic Properties of the Hubbard Model

Nishida, H; Fujiuchi, R; Sugimoto, K; Ohta, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 89 ( 2 ) 2020年02月15日

ISSN: 0031-9015

DOI
Single-molecule imaging analysis reveals the mechanism of a high-catalytic-activity mutant of chitinase A from Serratia marcescens

Visootsat, A; Nakamura, A; Vignon, P; Watanabe, H; Uchihashi, T; Iino, R

JOURNAL OF BIOLOGICAL CHEMISTRY 295 ( 7 ) 1915 - 1925 2020年02月14日

ISSN: 0021-9258

DOI
Chromatin Remodeling Protein ZmCHB101 Regulates Nitrate-Responsive Gene Expression in Maize

Meng, XC; Yu, XM; Wu, YF; Kim, DH; Nan, N; Cong, WX; Wang, SC; Liu, B; Xu, ZY

FRONTIERS IN PLANT SCIENCE 11 2020年02月13日

ISSN: 1664-462X

DOI
High pressure inhibits signaling protein binding to the flagellar motor and bacterial chemotaxis through enhanced hydration

Hata, H; Nishihara, Y; Nishiyama, M; Sowa, Y; Kawagishi, I; Kitao, A

SCIENTIFIC REPORTS 10 ( 1 ) 2020年02月11日

ISSN: 2045-2322

DOI
Effect of metal ion substitution on the catalytic activity of a pentanuclear metal complex

Akai, T; Kondo, M; Lee, SK; Izu, H; Enomoto, T; Okamura, M; Saga, Y; Masaoka, S

DALTON TRANSACTIONS 49 ( 5 ) 1384 - 1387 2020年02月07日

ISSN: 1477-9226

DOI
Photoinduced anisotropic distortion as the electron trapping site of tungsten trioxide by ultrafast W L1-edge X-ray absorption spectroscopy with full potential multiple scattering calculations

Koide, A; Uemura, Y; Kido, D; Wakisaka, Y; Takakusagi, S; Ohtani, B; Niwa, Y; Nozawa, S; Ichiyanagi … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 5 ) 2615 - 2621 2020年02月07日

ISSN: 1463-9076

DOI
Production of Bio Hydrofined Diesel, Jet Fuel, and Carbon Monoxide from Fatty Acids Using a Silicon Nanowire Array-Supported Rhodium Nanoparticle Catalyst under Microwave Conditions

Baek, H; Kashimura, K; Fujii, T; Tsubaki, S; Wada, Y; Fujikawa, S; Sato, T; Uozumi, Y; Yamada, YMA

ACS CATALYSIS 10 ( 3 ) 2148 - 2156 2020年02月07日

ISSN: 2155-5435

DOI
Synthesis and Structure of [9]Cycloparaphenylene Catenane: An All-Benzene Catenane Consisting of Small Rings

Segawa, Y; Kuwayama, M; Itami, K

ORGANIC LETTERS 22 ( 3 ) 1067 - 1070 2020年02月07日

ISSN: 1523-7060

DOI
Atomistic Mechanism of Anisotropic Heat Conduction in the Liquid Crystal 4-Heptyl-4′-cyanobiphenyl: All-Atom Molecular Dynamics

Sasaki, R; Takahashi, Y; Hayashi, Y; Kawauchi, S

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 5 ) 881 - 889 2020年02月06日

ISSN: 1520-6106

DOI
Per-Residue Program of Multiple Backbone Dihedral Angles of β-Peptoids via Backbone Substitutions

Morimoto, J; Kim, J; Kuroda, D; Nagatoishi, S; Tsumoto, K; Sando, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 5 ) 2277 - 2284 2020年02月05日

ISSN: 0002-7863

DOI
An Efficient Timer and Sizer of Biomacromolecular Motions

Chan, J; Takemura, K; Lin, HR; Chang, KC; Chang, YY; Joti, Y; Kitao, A; Yang, LW

STRUCTURE 28 ( 2 ) 259 - + 2020年02月04日

ISSN: 0969-2126

DOI
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect

Tatemizo, N; Imada, S; Okahara, K; Nishikawa, H; Tsuruta, K; Ina, T; Miura, Y; Nishio, K; Isshiki, T

SCIENTIFIC REPORTS 10 ( 1 ) 2020年02月04日

ISSN: 2045-2322

DOI
Leaving Group Ability in Nucleophilic Aromatic Amination by Sodium Hydride-Lithium Iodide Composite

Pang, JH; Ong, DY; Watanabe, K; Takita, R; Chiba, S

SYNTHESIS-STUTTGART 52 ( 3 ) 393 - 398 2020年02月04日

ISSN: 0039-7881

DOI
Peptide-based short single β-strand mimics without hydrogen bonding or aggregation

Zhai, LH; Otani, Y; Hori, Y; Tomita, T; Ohwada, T

CHEMICAL COMMUNICATIONS 56 ( 10 ) 1573 - 1576 2020年02月04日

ISSN: 1359-7345

DOI
Crystallographic Characterization of Er2C2@C80-88: Cluster Stretching with Cage Elongation

Hu, SF; Zhao, P; Shen, WQ; Ehara, M; Xie, YP; Akasaka, T; Lu, X

INORGANIC CHEMISTRY 59 ( 3 ) 1940 - 1946 2020年02月03日

ISSN: 0020-1669

DOI
Facially Dispersed Polyhydride Cu9 and Cu16 Clusters Comprising Apex-Truncated Supertetrahedral and Square-Face-Capped Cuboctahedral Copper Frameworks

Nakamae, K; Nakajima, T; Ura, Y; Kitagawa, Y; Tanase, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59 ( 6 ) 2262 - 2267 2020年02月03日

ISSN: 1433-7851

DOI
Macrocyclic Metal Complexes Bearing Rigid Polyaromatic Ligands: Synthesis and Catalytic Activity

Yamamoto, K; Higuchi, K; Ogawa, M; Sogawa, H; Kuwata, S; Hayashi, Y; Kawauchi, S; Takata, T

CHEMISTRY-AN ASIAN JOURNAL 15 ( 3 ) 356 - 359 2020年02月03日

ISSN: 1861-4728

DOI
Sensing surface lattice strain with Kondo resonance of single Co adatom

Iwata, K; Miyamachi, T; Minamitani, E; Komori, F

APPLIED PHYSICS LETTERS 116 ( 5 ) 2020年02月03日

ISSN: 0003-6951

DOI
Universal Relaxation Dynamics of Sphere Packings below Jamming

Ikeda, A; Kawasaki, T; Berthier, L; Saitoh, K; Hatano, T

PHYSICAL REVIEW LETTERS 124 ( 5 ) 2020年02月03日

ISSN: 0031-9007

DOI
Data processing for atomic resolution holography

Matsushita, T; Muro, T; Matsui, F; Happo, N; Hayashi, K

JAPANESE JOURNAL OF APPLIED PHYSICS 59 ( 2 ) 2020年02月01日

ISSN: 0021-4922

DOI
Temperature dependence of dielectric functions in Yb2O3 and Lu2O3 epitaxial thin films on sapphire (0001)

Makino, T; Asai, T; Takeuchi, T; Kaminaga, K; Oka, D; Fukumura, T

JAPANESE JOURNAL OF APPLIED PHYSICS 59 2020年02月01日

ISSN: 0021-4922

DOI
Thermodynamic analysis for nonpolar III-nitride surfaces under metalorganic vapor-phase epitaxy conditions

Shimizu, T; Seta, Y; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T; Kusaba, A; Kangawa, Y

JAPANESE JOURNAL OF APPLIED PHYSICS 59 ( 2 ) 2020年02月01日

ISSN: 0021-4922

DOI
Accelerating structural life science by paramagnetic lanthanide probe methods

Saio, T; Ishimori, K

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1864 ( 2 ) 2020年02月

ISSN: 0304-4165

DOI
Characterization of Polyethers Using Tandem Mass Spectrometry with Hydrogen Abstraction Dissociation and Thermal Activation

Asakawa, D; Takahashi, H; Iwamoto, S; Tanaka, K

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 31 ( 2 ) 450 - 457 2020年02月

ISSN: 1044-0305

DOI
Comparison of Effective Exchange Integrals of H-H and H-He-H Chains vs. Single Molecules: A Theoretical Study

Tada, K; Kawakami, T; Kitagawa, Y; Okumura, M; Yamaguchi, K; Tanaka, S

CHEMISTRY LETTERS 49 ( 2 ) 137 - 140 2020年02月

ISSN: 0366-7022

DOI
Dipole-dipole interactions between tryptophan side chains and hydration water molecules dominate the observed dynamic stokes shift of lysozyme

Fukuda, A; Oroguchi, T; Nakasako, M

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1864 ( 2 ) 2020年02月

ISSN: 0304-4165

DOI
Effect of External Electric Fields on the Oxidation Reaction of Olefins by Fe(IV)OCl-Porphyrin Complexes

Ma, ZF; Nakatani, N; Fujii, H; Hada, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 93 ( 2 ) 187 - 193 2020年02月

ISSN: 0009-2673

DOI
High-speed near-field fluorescence microscopy combined with high-speed atomic force microscopy for biological studies

Umakoshi, T; Fukuda, S; Iino, R; Uchihashi, T; Ando, T

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1864 ( 2 ) 2020年02月

ISSN: 0304-4165

DOI
Hyperstable De Novo Protein with a Dimeric Bisecting Topology

Kimura, N; Mochizuki, K; Umezawa, K; Hecht, MH; Arai, R

ACS SYNTHETIC BIOLOGY 9 ( 2 ) 254 - 259 2020年02月

ISSN: 2161-5063

DOI
Molecular dynamics simulation of proteins under high pressure: Structure, function and thermodynamics

Hata, H; Nishiyama, M; Kitao, A

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1864 ( 2 ) 2020年02月

ISSN: 0304-4165

DOI
Monodisperse Polymer Melts Crystallize via Structurally Polydisperse Nanoscale Clusters: Insights from Polyethylene

Hall, KW; Sirk, TW; Percec, S; Klein, ML; Shinoda, W

POLYMERS 12 ( 2 ) 2020年02月

DOI
Rational Synthetic Strategy for Heterometallic Multinuclear Complexes

Izu, H; Kondo, M; Saga, Y; Iwami, H; Masaoka, S

CHEMISTRY LETTERS 49 ( 2 ) 125 - 128 2020年02月

ISSN: 0366-7022

DOI
Strong Correlation Between Atomic-Level Pressures and Viscous Shear Relaxations in Liquids

Iwashita, T; Koga, H; Yamada, S

JOM 72 ( 2 ) 854 - 859 2020年02月

ISSN: 1047-4838

DOI
The roles of step-site and zinc in surface chemistry of formic acid on clean and Zn-modified Cu(111) and Cu(997) surfaces studied by HR-XPS, TPD, and IRAS

Shiozawa, Y; Koitaya, T; Mukai, K; Yoshimoto, S; Yoshinobu, J

JOURNAL OF CHEMICAL PHYSICS 152 ( 4 ) 2020年01月31日

ISSN: 0021-9606

DOI
Ionic-Liquid-Originated Carrier Trapping Dynamics at the Interface in Electric Double-Layer Organic FET Revealed by Operando Interfacial Analyses

Okaue, D; Tanabe, I; Ono, S; Sakamoto, K; Sato, T; Imanishi, A; Morikawa, Y; Takeya, J; Fukui, K

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 4 ) 2543 - 2552 2020年01月30日

ISSN: 1932-7447

DOI
Step-Growth Annulative π-Extensio n Polymerization for Synthesis of Cove-Type Graphene Nanoribbons (Retracted article. See vol. 143, pg. 3264, 2021)

Yano, Y; Wang, FJ; Mitoma, N; Miyauchi, Y; Ito, H; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 4 ) 1686 - 1691 2020年01月29日

ISSN: 0002-7863

DOI
Thickness dependent homogeneous crystallization of ultrathin amorphous solid water films

Harada, K; Sugimoto, T; Kato, F; Watanabe, K; Matsumoto, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 4 ) 1963 - 1973 2020年01月28日

ISSN: 1463-9076

DOI
Ultra-Thick Organic Pigment Layer Up to 10 μm Activated by Crystallization in Organic Photovoltaic Cells

Katayama, M; Kaji, T; Nakao, S; Hiramoto, M

FRONTIERS IN ENERGY RESEARCH 8 2020年01月28日

ISSN: 2296-598X

DOI
Computed Atomic Force Microscopy Images of Chromosomes by Calculating Forces with Oscillating Probes

Sumikama, T; Foster, AS; Fukuma, T

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 3 ) 2213 - 2218 2020年01月23日

ISSN: 1932-7447

DOI
Small stepping motion of processive dynein revealed by load-free high-speed single-particle tracking

Ando, J; Shima, T; Kanazawa, R; Shimo-Kon, R; Nakamura, A; Yamamoto, M; Kon, T; Iino, R

SCIENTIFIC REPORTS 10 ( 1 ) 2020年01月23日

ISSN: 2045-2322

DOI
Sub-molecular structural relaxation at a physisorbed interface with monolayer organic single-crystal semiconductors

Yamamura, A; Fujii, H; Ogasawara, H; Nordlund, D; Takahashi, O; Kishi, Y; Ishii, H; Kobayashi, N; N … 全著者表示

COMMUNICATIONS PHYSICS 3 ( 1 ) 2020年01月23日

ISSN: 2399-3650

DOI
Effects of ion?water Lennard-Jones potentials on the hydration dynamics around a monovalent atomic ion in molecular dynamics simulations

Kasahara, K; Takimoto, Y; Ashida, R; Takahashi, T

MOLECULAR SIMULATION 46 ( 2 ) 83 - 91 2020年01月22日

ISSN: 0892-7022

DOI
Molecule Isomerism Modulates the Diradical Properties of Stable Singlet Diradicaloids

Barker, JE; Dressler, JJ; Valdivia, AC; Kishi, R; Strand, ET; Zakharov, LN; MacMillan, SN; Gómez-Ga … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 3 ) 1548 - 1555 2020年01月22日

ISSN: 0002-7863

DOI
Triptycenyl Sulfide: A Practical and Active Catalyst for Electrophilic Aromatic Halogenation Using N-Halosuccinimides

Nishii, Y; Ikeda, M; Hayashi, Y; Kawauchi, S; Miura, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 3 ) 1621 - 1629 2020年01月22日

ISSN: 0002-7863

DOI
Correlation between mobility and the hydrogen bonding network of water at an electrified-graphite electrode using molecular dynamics simulation

Imai, M; Yokota, Y; Tanabe, I; Inagaki, K; Morikawa, Y; Fukui, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 3 ) 1767 - 1773 2020年01月21日

ISSN: 1463-9076

DOI
Effects of cavitation on Karman vortex behind circular-cylinder arrays: A molecular dynamics study

Asano, Y; Watanabe, H; Noguchi, H

JOURNAL OF CHEMICAL PHYSICS 152 ( 3 ) 2020年01月21日

ISSN: 0021-9606

DOI
Reduction of water-mediated repulsion drives poly(N-vinylcaprolactam) collapse upon heating

Mochizuki, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 3 ) 1053 - 1060 2020年01月21日

ISSN: 1463-9076

DOI
Synthesis and properties of anionic ruthenium thionitrosyl and selenonitrosyl complexes that contain tetraanionic 2-hydroxybenzamidobenzene ligands

Fung, CW; Fukada, G; Mutoh, Y; Tsuchida, N; Saito, S

DALTON TRANSACTIONS 49 ( 3 ) 613 - 624 2020年01月21日

ISSN: 1477-9226

DOI
Electron transfer governed by light-matter interaction at metal-semiconductor interface

Iida, K; Noda, M

NPJ COMPUTATIONAL MATERIALS 6 ( 1 ) 2020年01月17日

DOI
Rhodium-Catalyzed Annulative Coupling of Isothiazoles with Alkynes through N-S Bond Cleavage

Mihara, G; Noguchi, T; Nishii, Y; Hayashi, Y; Kawauchi, S; Miura, M

ORGANIC LETTERS 22 ( 2 ) 661 - 665 2020年01月17日

ISSN: 1523-7060

DOI
Diels-Alder reactions of 1-phosphabutadienes: a highly selective route to PC-substituted phosphacyclohexenes

Ohtsuki, K; Walsgrove, HTG; Hayashi, Y; Kawauchi, S; Patrick, BO; Gates, DP; Ito, S

CHEMICAL COMMUNICATIONS 56 ( 5 ) 774 - 777 2020年01月16日

ISSN: 1359-7345

DOI
Ion Binding and Selectivity of the Na+/H+ Antiporter MjNhaP1 from Experiment and Simulation

Warnau, J; Wöhlert, D; Okazaki, KI; Yildiz, O; Gamiz-Hernandez, AP; Kaila, VRI; Küehlbrandt, W; Hum … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 2 ) 336 - 344 2020年01月16日

ISSN: 1520-6106

DOI
The Biogenesis of SRP RNA Is Modulated by an RNA Folding Intermediate Attained during Transcription

Fukuda, S; Yan, S; Komi, Y; Sun, M; Gabizon, R; Bustamante, C

MOLECULAR CELL 77 ( 2 ) 241 - + 2020年01月16日

ISSN: 1097-2765

DOI
A slight bluish-white fluorescence from E,E-2,6-bis(4-cyanostyryl)pyridine pristine crystals

Mochizuki, H; Kusama, H

RSC ADVANCES 10 ( 5 ) 2727 - 2733 2020年01月15日

DOI
Interaction of tris(4-anisyl)amine mediator in dye-sensitized solar cells

Kusama, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 387 2020年01月15日

ISSN: 1010-6030

DOI
Binuclear Mn oxo complex as a self-contained photocatalyst in water-splitting cycle: Role of additional Mn oxides as a buffer of electrons and protons

Yamamoto, K; Takatsuka, K

JOURNAL OF CHEMICAL PHYSICS 152 ( 2 ) 2020年01月14日

ISSN: 0021-9606

DOI
First-principles study of Li-ion distribution at γ-Li3PO4/metal interfaces

Shimizu, K; Liu, W; Li, WW; Kasamatsu, S; Ando, Y; Minamitani, E; Watanabe, S

PHYSICAL REVIEW MATERIALS 4 ( 1 ) 2020年01月14日

ISSN: 2475-9953

DOI
Large-scale excited-state calculation using dynamical polarizability evaluated by divide-and-conquer based coupled cluster linear response method

Yoshikawa, T; Yoshihara, J; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 152 ( 2 ) 2020年01月14日

ISSN: 0021-9606

DOI
Quantum mechanical/molecular mechanical trajectory surface hopping molecular dynamics simulation by spin-flip time-dependent density functional theory

Minezawa, N; Nakajima, T

JOURNAL OF CHEMICAL PHYSICS 152 ( 2 ) 2020年01月14日

ISSN: 0021-9606

DOI
Time-dependent DFT study of the K-edge spectra of vanadium and titanium complexes: effects of chloride ligands on pre-edge features

Yi, J; Nakatani, N; Nomura, K; Hada, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 2 ) 674 - 682 2020年01月14日

ISSN: 1463-9076

DOI
A Gold(I) Complex with a 1,1′-Binaphthyl-Substituted Diphosphene: Synthesis, Structure, and Catalytic Application to Intramolecular Hydroarylation Reactions

Tsurusaki, A; Ura, R; Kamikawa, K

ORGANOMETALLICS 39 ( 1 ) 87 - 92 2020年01月13日

ISSN: 0276-7333

DOI
Electron Donation from Cu Atoms to Al Oxide Clusters upon Mixing Revealed by Thermal Desorption Spectrometry

Mafuné, F; Zhang, YF; Liu, XN; Wang, HH; Kudoh, S

JOURNAL OF PHYSICAL CHEMISTRY C 124 ( 1 ) 659 - 667 2020年01月09日

ISSN: 1932-7447

DOI
Metal-Peptide Torus Knots from Flexible Short Peptides

Inomata, Y; Sawada, T; Fujita, M

CHEM 6 ( 1 ) 294 - 303 2020年01月09日

ISSN: 2451-9294

DOI
Molecular Dynamics Simulation of Cellulose I-Ethylenediamine Complex Crystal Models

Uto, T; Minamizaki, M; Yui, T

JOURNAL OF PHYSICAL CHEMISTRY B 124 ( 1 ) 134 - 143 2020年01月09日

ISSN: 1520-6106

DOI
Structures of Magnesium Oxide Cluster Cations Studied Using Ion Mobility Mass Spectrometry

Nakano, M; Hebiguchi, D; Azuma, S; Moriyama, R; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 124 ( 1 ) 101 - 107 2020年01月09日

ISSN: 1089-5639

DOI
Semiconductive Nature of Lead-Based Metal-Organic Frameworks with Three-Dimensionally Extended Sulfur Secondary Building Units

Kamakura, Y; Chinapang, P; Masaoka, S; Saeki, A; Ogasawara, K; Nishitani, SR; Yoshikawa, H; Katayam … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 ( 1 ) 27 - 32 2020年01月08日

ISSN: 0002-7863

DOI
A new design strategy for redox-active molecular assemblies with crystalline porous structures for lithium-ion batteries

Nakashima, K; Shimizu, T; Kamakura, Y; Hinokimoto, A; Kitagawa, Y; Yoshikawa, H; Tanaka, D

CHEMICAL SCIENCE 11 ( 1 ) 37 - 43 2020年01月07日

ISSN: 2041-6520

DOI
Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite

Uratani, H; Chou, CP; Nakai, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 ( 1 ) 97 - 106 2020年01月07日

ISSN: 1463-9076

DOI
Reaction mechanism, norbornene and ligand effects, and origins of meta-selectivity of Pd/norbornene-catalyzed C-H activation

Yang, T; Kong, CC; Yang, SC; Yang, ZM; Yang, S; Ehara, M

CHEMICAL SCIENCE 11 ( 1 ) 113 - 125 2020年01月07日

ISSN: 2041-6520

DOI
Structure, Magnetism, and Electrochemistry of LiMg1-xZnxVO4 Spinets with 0 ≤ x ≤ 1

Uyama, T; Mukai, K; Yamada, I

INORGANIC CHEMISTRY 59 ( 1 ) 777 - 789 2020年01月06日

ISSN: 0020-1669

DOI
Systematic Interaction Analysis of Anti-Human Immunodeficiency Virus Type-1 Neutralizing Antibodies with High Mannose Glycans Using Fragment Molecular Orbital and Molecular Dynamics Methods

Kusumoto, M; Ueno-Noto, K; Takano, K

JOURNAL OF COMPUTATIONAL CHEMISTRY 41 ( 1 ) 31 - 42 2020年01月05日

ISSN: 0192-8651

DOI
Second-Generation meta-Phenolsulfonic Acid-Formaldehyde Resin as a Catalyst for Continuous-Flow Esterification

Hu, H; Ota, H; Baek, H; Shinohara, K; Mase, T; Uozumi, Y; Yamada, YMA

ORGANIC LETTERS 22 ( 1 ) 160 - 163 2020年01月03日

ISSN: 1523-7060

DOI
Switchable Conformational Isomerization of an Overcrowded Tristricyclic Aromatic Ene

Nishiuchi, T; Ito, R; Stratmann, E; Kubo, T

JOURNAL OF ORGANIC CHEMISTRY 85 ( 1 ) 179 - 186 2020年01月03日

ISSN: 0022-3263

DOI
Computational study of distortion effect of Fe-porphyrin found as a biological active site

Takano, Y; Kondo, HX; Kanematsu, Y; Imada, Y

JAPANESE JOURNAL OF APPLIED PHYSICS 59 ( 1 ) 2020年01月01日

ISSN: 0021-4922

DOI
Electron dynamics method using a locally projected group diabatic Fock matrix for molecules and aggregates

Yonehara, T; Nakajima, T

CHEMICAL PHYSICS 528 2020年01月01日

ISSN: 0301-0104

DOI
Elucidation of Molecular Mechanism of a Selective PPARα Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations

Kawasaki, M; Kambe, A; Yamamoto, Y; Arulmozhiraja, S; Ito, S; Nakagawa, Y; Tokiwa, H; Nakano, S; Sh … 全著者表示

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 21 ( 1 ) 2020年01月01日

ISSN: 1661-6596

DOI
Molecular dynamics study on DNA damage by tritium disintegration

Nakamura, H; Miyanishi, H; Yasunaga, T; Fujiwara, S; Mizuguchi, T; Nakata, A; Miyazaki, T; Otsuka, … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS 59 2020年01月01日

ISSN: 0021-4922

DOI
Porous graphitic carbon nitride nanoplates obtained by a combined exfoliation strategy for enhanced visible light photocatalytic activity

Liu, W; Iwasa, N; Fujita, S; Koizumi, H; Yamaguchi, M; Shimada, T

APPLIED SURFACE SCIENCE 499 2020年01月01日

ISSN: 0169-4332

DOI
Valence band dispersion measured in the surface normal direction of CH3NH3PbI3 single crystals

Yang, JP; Ren, SX; Yamaguchi, T; Meissner, M; Cheng, LW; Zhou, L; Ideta, S; Tanaka, K; Kera, S

APPLIED PHYSICS EXPRESS 13 ( 1 ) 2020年01月01日

ISSN: 1882-0778

DOI
meso-Free dipyrrins: Formation of assembled structures including a 2D ordered pattern

Kuno, A; Nakamura, K; Kikkawa, Y; Maeda, H

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES 24 ( 1-3 ) 75 - 83 2020年01月

ISSN: 1088-4246

DOI
An alkyl-substituted aluminium anion with strong basicity and nucleophilicity

Kurumada, S; Takamori, S; Yamashita, M

NATURE CHEMISTRY 12 ( 1 ) 36 - 39 2020年01月

ISSN: 1755-4330

DOI
Detection of Spin Transfer from Metal to Molecule by Magnetoresistance Measurement

Gamou, H; Shimose, K; Enoki, R; Minamitani, E; Shiotari, A; Kotani, Y; Toyoki, K; Nakamura, T; Sugi … 全著者表示

NANO LETTERS 20 ( 1 ) 75 - 80 2020年01月

ISSN: 1530-6984

DOI
Phosphorescence properties of anionic cyclometalated platinum(II) complexes with fluorine-substituted tridentate diphenylpyridine in the solid state

Ogawa, T; Sameera, WMC; Yoshida, M; Kobayashi, A; Kato, M

CHEMICAL PHYSICS LETTERS 739 2020年01月

ISSN: 0009-2614

DOI
Quarter Century Development of Laser Peening without Coating

Sano, Y

METALS 10 ( 1 ) 2020年01月

DOI
Self-Assembly of Radially π-Extended Tetrathiafulvalene Tetramers for Visible and Near Infrared Electrochromic Nanofiber

Hasegawa, M; Masahiko, I

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 93 ( 1 ) 154 - 162 2020年01月

ISSN: 0009-2673

DOI
Soft X-ray Absorption Spectroscopy of Liquids for Understanding Chemical Processes in Solution

Nagasaka, M; Yuzawa, H; Kosugi, N

ANALYTICAL SCIENCES 36 ( 1 ) 95 - 105 2020年01月

ISSN: 0910-6340

DOI
Theoretical Investigation of the Key Roles in Fullerene-Formation Mechanisms: Enantiomer and Enthalpy

Li, MY; Zhao, YX; Han, YB; Yuan, K; Nagase, S; Ehara, M; Zhao, X

ACS APPLIED NANO MATERIALS 3 ( 1 ) 547 - 554 2020年01月

DOI
Theoretical study of the Fe(btr)2(NCS)2 spin-crossover complex with reparameterized density functionals

Kajikawa, S; Muraoka, A

CHEMICAL PHYSICS LETTERS 738 2020年01月

ISSN: 0009-2614

DOI
Visible photodissociation study of NO dimer cation using ion imaging technique combined with theoretical calculations

Ito, Y; Nakashima, Y; Okutsu, K; Nakano, M; Ohshimo, K; Misaizu, F

CHEMICAL PHYSICS LETTERS 739 2020年01月

ISSN: 0009-2614

DOI
pH dependence of aqueous oxalic acid observed by X-ray absorption and emission spectroscopy

Yamamura, R; Suenaga, T; Oura, M; Tokushima, T; Takahashi, O

CHEMICAL PHYSICS LETTERS 738 2020年01月

ISSN: 0009-2614

DOI
pSPICA: A Coarse-Grained Force Field for Lipid Membranes Based on a Polar Water Model

Miyazaki, Y; Okazaki, S; Shinoda, W

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16 ( 1 ) 782 - 793 2020年01月

ISSN: 1549-9618

DOI
Docking and Molecular Dynamics Study of the Carbohydrate Binding Module from Trichoderma reesei Cel7A on the Surfaces of the Cellulose IIII Crystal

Yui, T; Uto, T

JOURNAL OF RENEWABLE MATERIALS 8 ( 8 ) 863 - 878 2020年

ISSN: 2164-6325

DOI
Optical Gradient Force on Chiral Nanoparticles

Yamanishi, J; Ahn, HY; Hashiyada, S; Okamoto, H

OPTICAL MANIPULATION AND STRUCTURED MATERIALS CONFERENCE 2020 11522 2020年

ISBN: 978-1-5106-3851-8

ISSN: 0277-786X

DOI
Spinel-Type Metal Oxide Nanoparticles Supported on Platelet-Type Carbon Nanofibers as a Bifunctional Catalyst for Oxygen Evolution Reaction and Oxygen Reduction Reaction

Sato, Y; Kitano, S; Kowalski, D; Aoki, Y; Fujiwara, N; Ioroi, T; Habazaki, H

ELECTROCHEMISTRY 88 ( 6 ) 566 - 573 2020年

ISSN: 1344-3542

DOI
Molecular dynamics study of a solvation motor in a Lennard-Jones solvent

Tokunaga, K; Akiyama, R

PHYSICAL REVIEW E 100 ( 6 ) 2019年12月30日

ISSN: 2470-0045

DOI
Dominance of angular momentum exchange in the PCI recapture of photoelectrons revealed by high resolution Auger electron measurements of Kr

Kosugi, S; Suzuki, N; Kumagai, N; Iwayama, H; Shigemasa, E; Koike, F; Azuma, Y

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 52 ( 24 ) 2019年12月28日

ISSN: 0953-4075

DOI
Effects of a remote mutation from the contact paratope on the structure of CDR-H3 in the anti-HIV neutralizing antibody PG16

Kondo, HX; Kiribayashi, R; Kuroda, D; Kohda, J; Kugimiya, A; Nakano, Y; Tsumoto, K; Takano, Y

SCIENTIFIC REPORTS 9 2019年12月27日

ISSN: 2045-2322

DOI
L-Cysteine-Modified Acacia Gum as a Multifunctional Binder for Lithium-Sulfur Batteries

Qi, Q; Deng, YQ; Gu, SC; Gao, M; Hasegawa, JY; Zhou, GM; Lv, XH; Lv, W; Yang, QH

ACS APPLIED MATERIALS & INTERFACES 11 ( 51 ) 47956 - 47962 2019年12月25日

ISSN: 1944-8244

DOI
Effects of Y substitution on the electronic structure and charge dynamics of SmS

Yokoyama, Y; Hasegawa, H; Mizuno, Y; Asai, D; Okamoto, Y; Suzuki, HS; Takehana, K; Imanaka, Y; Take … 全著者表示

PHYSICAL REVIEW B 100 ( 24 ) 2019年12月24日

ISSN: 2469-9950

DOI
Experimental investigation of the suppressed superconducting gap and double-resonance mode in Ba1-xKxFe2As2

Ideta, S; Murai, N; Nakajima, M; Kajimoto, R; Tanaka, K

PHYSICAL REVIEW B 100 ( 23 ) 2019年12月23日

ISSN: 2469-9950

DOI
Local Density Fluctuation Governs the Divergence of Viscosity Underlying Elastic and Hydrodynamic Anomalies in a 2D Glass-Forming Liquid

Shiba, H; Kawasaki, T; Kim, K

PHYSICAL REVIEW LETTERS 123 ( 26 ) 2019年12月23日

ISSN: 0031-9007

DOI
Hydrogen attachment dissociation of peptides containing disulfide bonds

Asakawa, D; Takahashi, H; Iwamoto, S; Tanaka, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 47 ) 26049 - 26057 2019年12月21日

ISSN: 1463-9076

DOI
Local optical activity of nano- to microscale materials and plasmons

Okamoto, H

JOURNAL OF MATERIALS CHEMISTRY C 7 ( 47 ) 14771 - 14787 2019年12月21日

ISSN: 2050-7526

DOI
Synthesis, characterization, and hole-transporting properties of benzotriazatruxene derivatives

Chooppawa, T; Namuangruk, S; Yamamoto, HM; Promarak, V; Rashatasakhon, P

JOURNAL OF MATERIALS CHEMISTRY C 7 ( 47 ) 15035 - 15041 2019年12月21日

ISSN: 2050-7526

DOI
Boson peak, elasticity, and glass transition temperature in polymer glasses: Effects of the rigidity of chain bending

Tomoshige, N; Mizuno, H; Mori, T; Kim, K; Matubayasi, N

SCIENTIFIC REPORTS 9 2019年12月20日

ISSN: 2045-2322

DOI
Ultraviolet-photon exposure stimulates negative current conductivity in amorphous ice below 50 K

Watanabe, N; Sameera, WMC; Hidaka, H; Miyazaki, A; Kouchi, A

CHEMICAL PHYSICS LETTERS 737 2019年12月16日

ISSN: 0009-2614

DOI
A metal-peptide capsule by multiple ring threading

Sawada, T; Inomata, Y; Shimokawa, K; Fujita, M

NATURE COMMUNICATIONS 10 2019年12月12日

ISSN: 2041-1723

DOI
Electrostatic Stabilization of Single-Atom Catalysts by Ionic Liquids

Ding, SP; Guo, YL; Hülsey, MJ; Zhang, B; Asakura, H; Liu, LM; Han, Y; Gao, M; Hasegawa, JY; Qiao, B … 全著者表示

CHEM 5 ( 12 ) 3207 - 3219 2019年12月12日

ISSN: 2451-9294

DOI
evERdock BAI: Machine-learning-guided selection of protein-protein complex structure

Terayama, K; Shinobu, A; Tsuda, K; Takemura, K; Kitao, A

JOURNAL OF CHEMICAL PHYSICS 151 ( 21 ) 2019年12月07日

ISSN: 0021-9606

DOI
Bridge-Length-Dependent Intramolecular Charge Transfer in Bis(dianisylamino)-Terminated Oligo(p-phenylene)s

Uebe, M; Kaneda, K; Fukuzaki, S; Ito, A

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 68 ) 15455 - 15462 2019年12月05日

ISSN: 0947-6539

DOI
Molecular dynamics study of solubilization of cyclohexane, benzene, and phenol into mixed micelles composed of sodium dodecyl sulfate and octaethylene glycol monododecyl ether

Takeda, K; Fujimoto, K; Yoshii, N; Okazaki, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 31 ) 2722 - 2729 2019年12月05日

ISSN: 0192-8651

DOI
Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O)

Zhao, YX; Li, MY; Xiong, YM; Rahmani, S; Yuan, K; Zhao, RS; Ehara, M; Nagase, S; Zhao, X

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 31 ) 2730 - 2738 2019年12月05日

ISSN: 0192-8651

DOI
Replica sub-permutation method for molecular dynamics and monte carlo simulations

Yamauchi, M; Okumura, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 31 ) 2694 - 2711 2019年12月05日

ISSN: 0192-8651

DOI
Controlling the Orbital Alignment in Atoms Using Cross-Circularly Polarized Extreme Ultraviolet Wave Packets

Kaneyasu, T; Hikosaka, Y; Fujimoto, M; Iwayama, H; Katoh, M

PHYSICAL REVIEW LETTERS 123 ( 23 ) 2019年12月03日

ISSN: 0031-9007

DOI
Giant Rashba system on a semiconductor substrate with tunable Fermi level: Bi/GaSb(110)-(2 x 1)

Nakamura, T; Ohtsubo, Y; Tokumasu, N; Le Fèvre, P; Bertran, F; Ideta, S; Tanaka, K; Kuroda, K; Yaji … 全著者表示

PHYSICAL REVIEW MATERIALS 3 ( 12 ) 2019年12月02日

ISSN: 2475-9953

DOI
Realization of honeycomb structures in octet ANB8?N binary compounds under two-dimensional limit

Akiyma, T; Hasegawa, Y; Nakamura, K; Ito, T

APPLIED PHYSICS EXPRESS 12 ( 12 ) 2019年12月01日

ISSN: 1882-0778

DOI
Arylation of Terminal Alkynes by Aryl Iodides Catalyzed by a Parts-per-Million Loading of Palladium Acetate

Hamasaka, G; Roy, D; Tazawa, A; Uozumi, Y

ACS CATALYSIS 9 ( 12 ) 11640 - 11646 2019年12月

ISSN: 2155-5435

DOI
Single-Phase Borophene on Ir(111): Formation, Structure, and Decoupling from the Support

Vinogradov, NA; Lyalin, A; Taketsugu, T; Vinogradov, AS; Preobrajenski, A

ACS NANO 13 ( 12 ) 14511 - 14518 2019年12月

ISSN: 1936-0851

DOI
Ultrafast demagnetization of Pt magnetic moment in L10-FePt probed by magnetic circular dichroism at a hard x-ray free electron laser

Yamamoto, K; Kubota, Y; Suzuki, M; Hirata, Y; Carva, K; Berritta, M; Takubo, K; Uemura, Y; Fukaya, … 全著者表示

NEW JOURNAL OF PHYSICS 21 ( 12 ) 2019年12月

ISSN: 1367-2630

DOI
Structural basis for the heme transfer reaction in heme uptake machinery from Corynebacteria

Muraki, N; Kitatsuji, C; Okamoto, Y; Uchida, T; Ishimori, K; Aono, S

CHEMICAL COMMUNICATIONS 55 ( 92 ) 13864 - 13867 2019年11月28日

ISSN: 1359-7345

DOI
Unveiling two deuteration effects on hydrogen-bond breaking process of water isotopomers

Kato, F; Sugimoto, T; Harada, K; Watanabe, K; Matsumoto, Y

PHYSICAL REVIEW MATERIALS 3 ( 11 ) 2019年11月27日

ISSN: 2475-9953

DOI
Thermodynamic control of quantum defects on single-walled carbon nanotubes

Maeda, Y; Murakoshi, H; Tambo, H; Zhao, P; Kuroda, K; Yamada, M; Zhao, X; Nagase, S; Ehara, M

CHEMICAL COMMUNICATIONS 55 ( 91 ) 13757 - 13760 2019年11月25日

ISSN: 1359-7345

DOI
Surface Modification of a Supported Pt Catalyst Using Ionic Liquids for Selective Hydrodeoxygenation of Phenols into Arenes under Mild Conditions

Ohta, H; Tobayashi, K; Kuroo, A; Nakatsuka, M; Kobayashi, H; Fukuoka, A; Hamasaka, G; Uozumi, Y; Mu … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 65 ) 14762 - 14766 2019年11月22日

ISSN: 0947-6539

DOI
Site-Dependent Fluctuations Optimize Electronic Energy Transfer in the Fenna-Matthews-Olson Protein

Saito, S; Higashi, M; Fleming, GR

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 46 ) 9762 - 9772 2019年11月21日

ISSN: 1520-6106

DOI
Consistency of geometrical definitions of hydrogen bonds based on the two-dimensional potential of mean force with respect to the time correlation in liquid water over a wide range of temperatures

Kikutsuji, T; Kim, K; Matubayasi, N

JOURNAL OF MOLECULAR LIQUIDS 294 2019年11月15日

ISSN: 0167-7322

DOI
Gear Slippage in Molecular Bevel Gears Bridged with a Group 14 Element

Okamura, K; Inagaki, Y; Momma, H; Kwon, E; Setaka, W

JOURNAL OF ORGANIC CHEMISTRY 84 ( 22 ) 14636 - 14643 2019年11月15日

ISSN: 0022-3263

DOI
Identification of Twinning-induced Edges on the Cleaved Graphite Crystal Surface

Matsui, F; Makita, S; Matsuda, H; Ohigashi, T; Yamane, H; Kosugi, N

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 88 ( 11 ) 2019年11月15日

ISSN: 0031-9015

DOI
Impact of key residues within chloroplast thioredoxin-f on recognition for reduction and oxidation of target proteins

Yokochi, Y; Sugiura, K; Takemura, K; Yoshida, K; Hara, S; Wakabayashi, K; Kitao, A; Hisabori, T

JOURNAL OF BIOLOGICAL CHEMISTRY 294 ( 46 ) 17437 - 17450 2019年11月15日

ISSN: 0021-9258

DOI
The effect of electric current on chemical bonding of hydrogen adsorption on an aluminum nanowire

Senami, M; Matsunaga, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 119 ( 22 ) 2019年11月15日

ISSN: 0020-7608

DOI
Benzophenone and chromone derivatives and their dimers from the scale-insect pathogenic fungus Orbiocrella petchii BCC 51377

Isaka, M; Palasarn, S; Choowong, W; Kawashima, K; Mori, S; Mongkolsamrit, S; Thanakitpipattana, D

TETRAHEDRON 75 ( 45 ) 2019年11月08日

ISSN: 0040-4020

DOI
Single-molecule analysis reveals rotational substeps and chemo-mechanical coupling scheme of Enterococcus hirae V1-ATPase

Iida, T; Minagawa, Y; Ueno, H; Kawai, F; Murata, T; Iino, R

JOURNAL OF BIOLOGICAL CHEMISTRY 294 ( 45 ) 17017 - 17030 2019年11月08日

ISSN: 0021-9258

DOI
Effect of atomicity on the oxidation of cationic copper clusters studied using thermal desorption spectrometry

Wang, HH; Miyajima, K; Kudoh, S; Mafuné, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 41 ) 23129 - 23135 2019年11月07日

ISSN: 1463-9076

DOI
The Hiyama Cross-Coupling Reaction at Parts Per Million Levels of Pd: In Situ Formation of Highly Active Spirosilicates in Glycol Solvents

Ichii, S; Hamasaka, G; Uozumi, Y

CHEMISTRY-AN ASIAN JOURNAL 14 ( 21 ) 3850 - 3854 2019年11月04日

ISSN: 1861-4728

DOI
Classical trajectory calculations for state-resolved Penning ionisation reactions of polycyclic aromatic hydrocarbon C10H8 in collision with He*(23S)

Yamakita, Y; Kai, N

MOLECULAR PHYSICS 117 ( 21 ) 3184 - 3193 2019年11月02日

ISSN: 0026-8976

DOI
Chemical and magnetic properties of polycrystalline iron surface revealed by Auger electron holography, spectroscopy, and microscopy

Matsui, F; Yasuda, K; Maejima, N; Matsui, H; Matsushita, T; Daimon, H

JAPANESE JOURNAL OF APPLIED PHYSICS 58 ( 11 ) 2019年11月01日

ISSN: 0021-4922

DOI
Coherent control in the extreme ultraviolet and attosecond regime by synchrotron radiation

Hikosaka, Y; Kaneyasu, T; Fujimoto, M; Iwayama, H; Katoh, M

NATURE COMMUNICATIONS 10 2019年11月01日

ISSN: 2041-1723

DOI
Progress in photoelectron holography at SPring-8

Kinoshita, T; Muro, T; Matsushita, T; Osawa, H; Ohkochi, T; Matsui, F; Matsuda, H; Shimomura, M; Ta … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS 58 ( 11 ) 2019年11月01日

ISSN: 0021-4922

DOI
Spin contamination errors on spin-polarized density functional theory/plane-wave calculations for crystals of one-dimensional materials

Tada, K; Tanaka, S; Kawakami, T; Kitagawa, Y; Okumura, M; Yamaguchi, K

APPLIED PHYSICS EXPRESS 12 ( 11 ) 2019年11月01日

ISSN: 1882-0778

DOI
Synthetic and Biological Studies of Juglorubin and Related Naphthoquinones

Kamo, S; Saito, T; Kusakabe, Y; Tomoshige, S; Uchiyama, M; Tsubaki, K; Kuramochi, K

JOURNAL OF ORGANIC CHEMISTRY 84 ( 21 ) 13957 - 13966 2019年11月01日

ISSN: 0022-3263

DOI
Control of Organic Superconducting Field-Effect Transistor by Cooling Rate

Kawaguchi, G; Yamamoto, HM

CRYSTALS 9 ( 11 ) 2019年11月

ISSN: 2073-4352

DOI
Improving Fatigue Performance of Laser-Welded 2024-T3 Aluminum Alloy Using Dry Laser Peening

Sano, T; Eimura, T; Hirose, A; Kawahito, Y; Katayama, S; Arakawa, K; Masaki, K; Shiro, A; Shobu, T; … 全著者表示

METALS 9 ( 11 ) 2019年11月

DOI
Multicolor High-Speed Tracking of Single Biomolecules with Silver, Gold, and Silver-Gold Alloy Nanoparticles

Ando, J; Nakamura, A; Yamamoto, M; Song, CH; Murata, K; Iino, R

ACS PHOTONICS 6 ( 11 ) 2870 - 2883 2019年11月

ISSN: 2330-4022

DOI
Multilayer effects in Bi2Sr2Ca2Cu3O10+z superconductors

Vincini, G; Tajima, S; Miyasaka, S; Tanaka, K

SUPERCONDUCTOR SCIENCE & TECHNOLOGY 32 ( 11 ) 2019年11月

ISSN: 0953-2048

DOI
Synthesis of Tunable-Aspect-Ratio Calcite Nanoparticles via Mg2+ Doping

Kezuka, Y; Tochigi, E; Murata, H; Yoshida, M; Eguchi, K; Nakahira, A; Ikuhara, Y; Tajika, M

CRYSTAL GROWTH & DESIGN 19 ( 11 ) 6784 - 6791 2019年11月

ISSN: 1528-7483

DOI
Highly Miscible Hybrid Liquid-Crystal Systems Containing Fluorescent Excited-State Intramolecular Proton Transfer Molecules

Zhang, WY; Suzuki, S; Cho, S; Watanabe, G; Yoshida, H; Sakurai, T; Aotani, M; Tsutsui, Y; Ozaki, M; … 全著者表示

LANGMUIR 35 ( 43 ) 14031 - 14041 2019年10月29日

ISSN: 0743-7463

DOI
Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody

Akiba, H; Amura, HT; Kiyoshi, M; Yanaka, S; Sugase, K; Aaveiro, JMMC; Tsumoto, K

SCIENTIFIC REPORTS 9 2019年10月29日

ISSN: 2045-2322

DOI
Enhanced oxygen reduction activity of platinum subnanocluster catalysts through charge redistribution

Tsunoyama, H; Ohnuma, A; Takahashi, K; Velloth, A; Ehara, M; Ichikuni, N; Tabuchi, M; Nakajima, A

CHEMICAL COMMUNICATIONS 55 ( 84 ) 12603 - 12606 2019年10月28日

ISSN: 1359-7345

DOI
High peak power Nd:YAG/Cr:YAG ceramic microchip laser with unstable resonator

Lim, HH; Taira, T

OPTICS EXPRESS 27 ( 22 ) 31307 - 31315 2019年10月28日

ISSN: 1094-4087

DOI
An antiaromatic-walled nanospace

Yamashina, M; Tanaka, Y; Lavendomme, R; Ronson, TK; Pittelkow, M; Nitschke, JR

NATURE 574 ( 7779 ) 511 - + 2019年10月24日

ISSN: 0028-0836

DOI
Large-scale molecular dynamics simulation of perfluorosulfonic acid membranes: Remapping coarse-grained to all-atomistic simulations

Kuo, AT; Miyazaki, Y; Jang, C; Miyajima, T; Urata, S; Nielsen, SO; Okazaki, S; Shinoda, W

POLYMER 181 2019年10月24日

ISSN: 0032-3861

DOI
New Insight into U@C80: Missing U@D3(31921)-C80 and Nuanced Enantiomers of U@C1(28324)-C80

Zhao, YX; Li, MY; Zhao, P; Ehara, M; Zhao, X

INORGANIC CHEMISTRY 58 ( 20 ) 14159 - 14166 2019年10月21日

ISSN: 0020-1669

DOI
Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2′-biselenophene and [2.2]paracyclophane

Hasegawa, M; Kobayakawa, O; Nojima, Y; Mazaki, Y

ORGANIC & BIOMOLECULAR CHEMISTRY 17 ( 39 ) 8822 - 8826 2019年10月21日

ISSN: 1477-0520

DOI
Two-step synthesis of a red-emissive warped nanographene derivative via a ten-fold C-H borylation

Kato, K; Lin, HA; Kuwayama, M; Nagase, M; Segawa, Y; Scott, LT; Itami, K

CHEMICAL SCIENCE 10 ( 39 ) 9038 - 9041 2019年10月21日

ISSN: 2041-6520

DOI
Ni-Catalyzed Cycloisomerization between 3-Phenoxy Acrylic Acid Derivatives and Alkynes via Intramolecular Cleavage and Formation of the C-O Bond To Give 2,3-Disubstituted Benzofurans

Ohno, S; Qiu, JW; Miyazaki, R; Aoyama, H; Murai, K; Hasegawa, J; Arisawa, M

ORGANIC LETTERS 21 ( 20 ) 8400 - 8403 2019年10月18日

ISSN: 1523-7060

DOI
Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7

Hanawa-Suetsugu, K; Itoh, Y; Ab Fatah, M; Nishimura, T; Takemura, K; Takeshita, K; Kubota, S; Miyaz … 全著者表示

NATURE COMMUNICATIONS 10 2019年10月18日

ISSN: 2041-1723

DOI
Structural characterization of HypX responsible for CO biosynthesis in the maturation of NiFe-hydrogenase

Muraki, N; Ishii, K; Uchiyama, S; Itoh, SG; Okumura, H; Aono, S

COMMUNICATIONS BIOLOGY 2 2019年10月18日

DOI
Theoretical Study on the C-H Activation of Methane by Liquid Metal Indium: Catalytic Activity of Small Indium Clusters

Ohtsuka, Y; Nishikawa, Y; Ogihara, H; Yamanaka, I; Ratanasak, M; Nakayama, A; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY A 123 ( 41 ) 8907 - 8912 2019年10月17日

ISSN: 1089-5639

DOI
>30 MW peak power from distributed face cooling tiny integrated laser

Zheng, LH; Kausas, A; Taira, T

OPTICS EXPRESS 27 ( 21 ) 30217 - 30224 2019年10月14日

ISSN: 1094-4087

DOI
Room-temperature phosphorescence-to-phosphorescence mechanochromism of a metal-free organic 1,2-diketone

Tani, Y; Terasaki, M; Komura, M; Ogawa, T

JOURNAL OF MATERIALS CHEMISTRY C 7 ( 38 ) 11926 - 11931 2019年10月14日

ISSN: 2050-7526

DOI
Li@C60 endohedral fullerene as a supraatomic dopant for C60 electron-transporting layers promoting the efficiency of perovskite solar cells

Ueno, H; Jeon, I; Lin, HS; Thote, A; Nakagawa, T; Okada, H; Izawa, S; Hiramoto, M; Daiguji, H; Maru … 全著者表示

CHEMICAL COMMUNICATIONS 55 ( 79 ) 11837 - 11839 2019年10月11日

ISSN: 1359-7345

DOI
Curvature induction and sensing of the F-BAR protein Pacsin1 on lipid membranes via molecular dynamics simulations

Mahmood, MI; Noguchi, H; Okazaki, K

SCIENTIFIC REPORTS 9 2019年10月10日

ISSN: 2045-2322

DOI
Photo-Induced Ring-Opening Reaction of Flav-3-en-2-ol Monitored by Time-Resolved Infrared Spectroscopy

Kondoh, M; Sakuta, A; Okazawa, K; Akase, D; Aida, M; Ishibashi, TA

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 40 ) 8499 - 8504 2019年10月10日

ISSN: 1520-6106

DOI
Crystallographic characterization of Er2C2@C2(43)-C90, Er2C2@C2(40)-C90, Er2C2@C2(44)-C90, and Er2C2@C1(21)-C90: the role of cage-shape on cluster configuration

Hu, SF; Shen, WQ; Zhao, P; Xu, T; Slanina, Z; Ehara, M; Zhao, X; Xie, YP; Akasaka, T; Lu, X

NANOSCALE 11 ( 37 ) 17319 - 17326 2019年10月07日

ISSN: 2040-3364

DOI
Importance of interfacial crystallinity to reduce open-circuit voltage loss in organic solar cells

Izawa, S; Shintaku, N; Kikuchi, M; Hiramoto, M

APPLIED PHYSICS LETTERS 115 ( 15 ) 2019年10月07日

ISSN: 0003-6951

DOI
Overall Shape Constraint of Alternating α/β-Hybrid Peptides Containing Bicyclic β-Proline

Wang, S; Otani, Y; Zhai, L; Su, A; Nara, M; Kawahata, M; Yamaguchi, K; Sada, A; Ohki, R; Ohwada, T

ORGANIC LETTERS 21 ( 19 ) 7813 - 7817 2019年10月04日

ISSN: 1523-7060

DOI
Crystal structure of heliorhodopsin

Shihoya, W; Inoue, K; Singh, M; Konno, M; Hososhima, S; Yamashita, K; Ikeda, K; Higuchi, A; Izume, … 全著者表示

NATURE 574 ( 7776 ) 132 - + 2019年10月03日

ISSN: 0028-0836

DOI
Singlet-Fission-Induced Enhancement of Third-Order Nonlinear Optical Properties of Pentacene Dimers

Tonami, T; Nagami, T; Okada, K; Yoshida, W; Nakano, M

ACS OMEGA 4 ( 14 ) 16181 - 16190 2019年10月01日

ISSN: 2470-1343

DOI
Adsorption mediated tandem acid catalyzed cellulose hydrolysis by ortho-substituted benzoic acids

De Chavez, DP; Gao, M; Kobayashi, H; Fukuoka, A; Hasegawa, JY

MOLECULAR CATALYSIS 475 2019年10月

ISSN: 2468-8231

DOI
Application of Solid-State Vibrational Circular Dichroism for Intercalation Compounds of Layered Double Hydroxide and Amino Acids: Conformation of an Intercalated Phenylalanine

Sato, H; Takimoto, K; Kawamura, I; Aisawa, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 92 ( 10 ) 1779 - 1784 2019年10月

ISSN: 0009-2673

DOI
Decoding the structure of interfaces and impurities in 2D materials by photoelectron holography

Usachov, DY; Tarasov, AV; Matsui, F; Muntwiler, M; Bokai, KA; Shevelev, VO; Vilkov, OY; Kuznetsov, … 全著者表示

2D MATERIALS 6 ( 4 ) 2019年10月

ISSN: 2053-1583

DOI
Determination of pH Dependent Structures of Thymol Blue Revealed by Cooperative Analytical Method of Quantum Chemistry and Multivariate Analysis of Electronic Absorption Spectra

Shimada, T; Tochinai, K; Hasegawa, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 92 ( 10 ) 1759 - 1766 2019年10月

ISSN: 0009-2673

DOI
Effects of Water Addition on a Catalytic Fluorination of Dienamine

Kuraoku, D; Yonamine, T; Koja, G; Yoshida, N; Arimitsu, S; Higashi, M

MOLECULES 24 ( 19 ) 2019年10月

DOI
Electrolyte-Gating-Induced Metal-Like Conduction in Nonstoichiometric Organic Crystalline Semiconductors under Simultaneous Bandwidth Control

Ito, H; Edagawa, Y; Pu, J; Akutsu, H; Suda, M; Yamamoto, HM; Kawasugi, Y; Haruki, R; Kumai, R; Take … 全著者表示

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS 13 ( 10 ) 2019年10月

ISSN: 1862-6254

DOI
Insight into the Origin of Competitive Emission of Copper(I) Complexes Bearing Diimine and Diphosphine Ligands

Yanagida, S; Yoshida, M; Sameera, WMC; Kobayashi, A; Kato, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 92 ( 10 ) 1684 - 1693 2019年10月

ISSN: 0009-2673

DOI
Operation of Quantum Plasmonic Metasurfaces Using Electron Transport through Subnanometer Gaps

Takeuchi, T; Noda, M; Yabana, K

ACS PHOTONICS 6 ( 10 ) 2517 - 2522 2019年10月

ISSN: 2330-4022

DOI
Realization of Spin-dependent Functionality by Covering a Metal Surface with a Single Layer of Molecules

Isshiki, H; Kondou, K; Takizawa, S; Shimose, K; Kawabe, T; Minamitani, E; Yamaguchi, N; Ishii, F; S … 全著者表示

NANO LETTERS 19 ( 10 ) 7119 - 7123 2019年10月

ISSN: 1530-6984

DOI
Capturing the photo-induced dynamics of nano-molecules by X-ray free electron laser induced Coulomb explosion

Yamazaki, K; Niitsu, N; Kanno, M; Ueda, K; Kono, H

JOURNAL OF CHEMICAL PHYSICS 151 ( 12 ) 2019年09月28日

ISSN: 0021-9606

DOI
Enhanced structural disorder at a nanocrystalline ice surface

Otsuki, Y; Watanabe, K; Sugimoto, T; Matsumoto, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 36 ) 20442 - 20453 2019年09月28日

ISSN: 1463-9076

DOI
The direct observation of the doorway 1nπ* state of methylcinnamate and hydrogen-bonding effects on the photochemistry of cinnamate-based sunscreens

Kinoshita, S; Inokuchi, Y; Onitsuka, Y; Kohguchi, H; Akai, N; Shiraogawa, T; Ehara, M; Yamazaki, K; … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 36 ) 19755 - 19763 2019年09月28日

ISSN: 1463-9076

DOI
Hydride Conductivity in an Anion-Ordered Fluorite Structure LnHO with an Enlarged Bottleneck

Ubukata, H; Broux, T; Takeiri, F; Shitara, K; Yamashita, H; Kuwabara, A; Kobayashi, G; Kageyama, H

CHEMISTRY OF MATERIALS 31 ( 18 ) 7360 - 7366 2019年09月24日

ISSN: 0897-4756

DOI
Mechanistic Study on Allylic Arylation in Water with Linear Polystyrene-Stabilized Pd and PdO Nanoparticles

Ohtaka, A; Kawase, M; Usami, A; Fukui, S; Yamashita, M; Yamaguchi, K; Sakon, A; Shiraki, T; Ishida, … 全著者表示

ACS OMEGA 4 ( 13 ) 15764 - 15770 2019年09月24日

ISSN: 2470-1343

DOI
Optical and photoelectrical studies on anisotropic metal-insulator transition of RuAs

Nakajima, Y; Mita, Z; Watanabe, H; Ohtsubo, Y; Ito, T; Kotegawa, H; Sugawara, H; Tou, H; Kimura, SI

PHYSICAL REVIEW B 100 ( 12 ) 2019年09月23日

ISSN: 2469-9950

DOI
Charge-transfer excited states in the donor/acceptor interface from large-scale GW calculations

Fujita, T; Noguchi, Y; Hoshi, T

JOURNAL OF CHEMICAL PHYSICS 151 ( 11 ) 2019年09月21日

ISSN: 0021-9606

DOI
Laminar flow in microfluidics investigated by spatially-resolved soft X-ray absorption and infrared spectroscopy

Nagasaka, M; Yuzawa, H; Takada, N; Aoyama, M; Rühl, E; Kosugi, N

JOURNAL OF CHEMICAL PHYSICS 151 ( 11 ) 2019年09月21日

ISSN: 0021-9606

DOI
On the role of intermolecular vibrational motions for ice polymorphs I: Volumetric properties of crystalline and amorphous ices

Tanaka, H; Yagasaki, T; Matsumoto, M

JOURNAL OF CHEMICAL PHYSICS 151 ( 11 ) 2019年09月21日

ISSN: 0021-9606

DOI
Photo-induced translocation of a Pdn moiety (n=2, 7) on a conjugated polyene ligand

Yamashita, M; Horiuchi, S; Yamamoto, K; Murahashi, T

DALTON TRANSACTIONS 48 ( 35 ) 13149 - 13153 2019年09月21日

ISSN: 1477-9226

DOI
Kinetic Stabilization of Carbazole Nitroxides by Inclusion in a Macrocage and Their Electron Spin Resonance Characterization

Hashimoto, H; Inagaki, Y; Momma, H; Kwon, E; Setaka, W

JOURNAL OF ORGANIC CHEMISTRY 84 ( 18 ) 11783 - 11789 2019年09月20日

ISSN: 0022-3263

DOI
Quantum Stabilization of the Frustrated Hydrogen Bonding Structure in the Hydrogen Fluoride Trimer

Io, A; Kawatsu, T; Tachikawa, M

JOURNAL OF PHYSICAL CHEMISTRY A 123 ( 37 ) 7950 - 7955 2019年09月19日

ISSN: 1089-5639

DOI
A Peptoid with Extended Shape in Water

Morimoto, J; Fukuda, Y; Kuroda, D; Watanabe, T; Yoshida, F; Asada, M; Nakamura, T; Senoo, A; Nagato … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 ( 37 ) 14612 - 14623 2019年09月18日

ISSN: 0002-7863

DOI
Non-Fermi-liquid behavior and doping asymmetry in an organic Mott insulator interface

Kawasugi, Y; Seki, K; Pu, J; Takenobu, T; Yunoki, S; Yamamoto, HM; Kato, R

PHYSICAL REVIEW B 100 ( 11 ) 2019年09月18日

ISSN: 2469-9950

DOI
An assessment of the sigma enlarging bridge function for a Lennard-Jones solution using a solvent-solvent correlation function obtained from molecular dynamics simulation

Miyata, T; Ogasawara, Y; Fujii, T; Yano, D; Ebato, Y

JOURNAL OF MOLECULAR LIQUIDS 290 2019年09月15日

ISSN: 0167-7322

DOI
Electrode polarization effects on interfacial kinetics of ionic liquid at graphite surface: An extended lagrangian-based constant potential molecular dynamics simulation study

Inagaki, T; Nagaoka, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 24 ) 2131 - 2145 2019年09月15日

ISSN: 0192-8651

DOI
Theoretical prediction of Ni(I)-catalyst for hydrosilylation of pyridine and quinoline

Singh, V; Sakaki, S; Deshmukh, MM

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 24 ) 2119 - 2130 2019年09月15日

ISSN: 0192-8651

DOI
A molecular crystal with an unprecedentedly long-lived photoexcited state

Naito, T; Watanabe, N; Sakamoto, Y; Miyaji, Y; Shirahata, T; Misaki, Y; Kitou, S; Sawa, H

DALTON TRANSACTIONS 48 ( 34 ) 12858 - 12866 2019年09月14日

ISSN: 1477-9226

DOI
Photoinduced valence dynamics in EuNi2(Si0.21Ge0.79)2 studied via time-resolved x-ray absorption spectroscopy

Yokoyama, Y; Kawakami, K; Hirata, Y; Takubo, K; Yamamoto, K; Abe, K; Mitsuda, A; Wada, H; Uozumi, T … 全著者表示

PHYSICAL REVIEW B 100 ( 11 ) 2019年09月12日

ISSN: 2469-9950

DOI
Unique Structural Relaxations and Molecular Conformations of Porphyra-334 at the Excited State

Hatakeyama, M; Koizurni, K; Boero, M; Nobusada, K; Hori, H; Misonou, T; Kobayashi, T; Nakamura, S

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 36 ) 7649 - 7656 2019年09月12日

ISSN: 1520-6106

DOI
Stoichiometric Formation of Open-Shell [PtAu24(SC2H4Ph)18]- via Spontaneous Electron Proportionation between [PtAu24(SC2H4Ph)18]2- and [PtAu24(SC2H4Ph)18]0

Suyama, M; Takano, S; Nakamura, T; Tsukuda, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 ( 36 ) 14048 - 14051 2019年09月11日

ISSN: 0002-7863

DOI
Very low activation energy for carrier generation of surface doped organic single crystals observed by Hall effects

Kikuchi, M; Izawa, S; Rai, N; Hiramoto, M

APPLIED PHYSICS LETTERS 115 ( 11 ) 2019年09月09日

ISSN: 0003-6951

DOI
Photo-responsive dimension-controlled ion-pairing assemblies based on anion complexes of π-electronic systems

Yamakado, R; Haketa, Y; Hara, M; Nagano, S; Seki, T; Maeda, H

CHEMICAL COMMUNICATIONS 55 ( 69 ) 10269 - 10272 2019年09月07日

ISSN: 1359-7345

DOI
Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a molecular tailoring approach

Kondo, HX; Kusaka, A; Kitakawa, CK; Onari, J; Yamanaka, S; Nakamura, H; Takano, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 23 ) 2043 - 2052 2019年09月05日

ISSN: 0192-8651

DOI
Entropy promotes charge separation in bulk heterojunction organic photovoltaics

Kawashima, E; Fujii, M; Yamashita, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 382 2019年09月01日

ISSN: 1010-6030

DOI
Simulating lattice thermal conductivity in semiconducting materials using high-dimensional neural network potential

Minamitani, E; Ogura, M; Watanabe, S

APPLIED PHYSICS EXPRESS 12 ( 9 ) 2019年09月01日

ISSN: 1882-0778

DOI
Acceptance-cone-tunable electron spectrometer for highly-efficient constant energy mapping

Yamane, H; Matsui, F; Ueba, T; Horigome, T; Makita, S; Tanaka, K; Kera, S; Kosugi, N

REVIEW OF SCIENTIFIC INSTRUMENTS 90 ( 9 ) 2019年09月

ISSN: 0034-6748

DOI
Electronic and Photophysical Properties of 9,10-Anthrylene-Bridged B-π-N Donor-Acceptor Molecules with Solid-State Emission in the Yellow to Red Region

Uebe, M; Sakamaki, D; Ito, A

CHEMPLUSCHEM 84 ( 9 ) 1305 - 1313 2019年09月

ISSN: 2192-6506

DOI
Interstitialcy diffusion of fluoride ions in LaOF by DFT-based first-principles calculations

Oka, M; Kamisaka, H; Fukumura, T; Hasegawa, T

COMPUTATIONAL MATERIALS SCIENCE 167 92 - 99 2019年09月

ISSN: 0927-0256

DOI
Mechanistic Insights on Reduction of Carboxamides by Diisobutylaluminum Hydride and Sodium Hydride-Iodide Composite

Ong, DY; Watanabe, K; Takita, R; Chiba, S

HELVETICA CHIMICA ACTA 102 ( 9 ) 2019年09月

ISSN: 0018-019X

DOI
Regression model for stabilization energies associated with anion ordering in perovskite-type oxynitrides

Kaneko, M; Fujii, M; Hisatomi, T; Yamashita, K; Domen, K

JOURNAL OF ENERGY CHEMISTRY 36 7 - 14 2019年09月

ISSN: 2095-4956

DOI
Resorcinol-formaldehyde resins as metal-free semiconductor photocatalysts for solar-to-hydrogen peroxide energy conversion

Shiraishi, Y; Takii, T; Hagi, T; Mori, S; Kofuji, Y; Kitagawa, Y; Tanaka, S; Ichikawa, S; Hirai, T

NATURE MATERIALS 18 ( 9 ) 985 - + 2019年09月

ISSN: 1476-1122

DOI
SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction

Kosugi, K; Nakano, H; Sato, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15 ( 9 ) 4965 - 4973 2019年09月

ISSN: 1549-9618

DOI
Theoretical Study on the Optical Properties of Multichromophoric Systems Based on an Exciton Approach: Modification Guidelines

Shiraogawa, T; Ehara, M

CHEMPHOTOCHEM 3 ( 9 ) 707 - 718 2019年09月

ISSN: 2367-0932

DOI
Newly developed Laboratory-based Size exclusion chromatography Small-angle x-ray scattering System (La-SSS)

Inoue, R; Nakagawa, T; Morishima, K; Sato, N; Okuda, A; Urade, R; Yogo, R; Yanaka, S; Yagi-Utsumi, … 全著者表示

SCIENTIFIC REPORTS 9 2019年08月30日

ISSN: 2045-2322

DOI
d-wave superconducting gap observed in protect-annealed electron-doped cuprate superconductors Pr1.3-xLa0.7CexCuO4

Horio, M; Koshiishi, K; Nakata, S; Hagiwara, K; Ota, Y; Okazaki, K; Shin, S; Ideta, S; Tanaka, K; T … 全著者表示

PHYSICAL REVIEW B 100 ( 5 ) 2019年08月28日

ISSN: 2469-9950

DOI
Adsorption of toxic gases on silicene/Ag(111)

Osborne, DA; Morishita, T; Tawfik, SA; Yayama, T; Spencer, MJS

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 32 ) 17521 - 17537 2019年08月28日

ISSN: 1463-9076

DOI
Tetra-, hexa- and octanuclear copper hydride complexes supported by tridentate phosphine ligands

Nakajima, T; Nakamae, K; Hatano, R; Imai, K; Harada, M; Ura, Y; Tanase, T

DALTON TRANSACTIONS 48 ( 32 ) 12050 - 12059 2019年08月28日

ISSN: 1477-9226

DOI
The effect of π-π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel (II)-salen type complex. Comparison with the corresponding Cu(II) complex

Oshita, H; Suzuki, T; Kawashima, K; Abe, H; Tani, F; Mori, S; Yajima, T; Shimazaki, Y

DALTON TRANSACTIONS 48 ( 32 ) 12060 - 12069 2019年08月28日

ISSN: 1477-9226

DOI
Realization of red shift of absorption spectra using optical near-field effect

Yatsui, T; Nakahira, Y; Nakamura, Y; Morimoto, T; Kato, Y; Yamamoto, M; Yoshida, T; Iida, K; Nobusa … 全著者表示

NANOTECHNOLOGY 30 ( 34 ) 2019年08月23日

ISSN: 0957-4484

DOI
TriQuinoline

Adachi, S; Shibasaki, M; Kumagai, N

NATURE COMMUNICATIONS 10 2019年08月23日

ISSN: 2041-1723

DOI
Hydrogen Permeation in Hydrated Perfluorosulfonic Acid Polymer Membranes: Effect of Polymer Crystallinity and Equivalent Weight

Takeuchi, K; Kuo, AT; Hirai, T; Miyajima, T; Urata, S; Terazono, S; Okazaki, S; Shinode, W

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 33 ) 20628 - 20638 2019年08月22日

ISSN: 1932-7447

DOI
Quantum Chemical Computation-Driven Development of Cu-Shell-Ru-Core Nanoparticle Catalyst for NO Reduction Reaction

Ohyama, J; Shibano, J; Satsuma, A; Fukuda, R; Yamamoto, Y; Arai, S; Shishido, T; Asakura, H; Hosoka … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 33 ) 20251 - 20256 2019年08月22日

ISSN: 1932-7447

DOI
Correlation of the partial charge-transfer and covalent nature of halogen bonding with the THz and IR spectral changes

Torii, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 31 ) 17118 - 17125 2019年08月21日

ISSN: 1463-9076

DOI
Intra-dimer row and inter-dimer row coupling of the vibrational modes of chemisorbed CO on Si(001)-c(4x2) observed by angle-dependent transmission infrared spectroscopy

Ohno, S; Shimizu, S; Tanaka, K; Yoshimoto, S; Yoshinobu, J

JOURNAL OF CHEMICAL PHYSICS 151 ( 7 ) 2019年08月21日

ISSN: 0021-9606

DOI
The Origins of the Stereoselectivity and Enantioswitch in the Rare-Earth-Catalyzed Michael Addition: A Computational Study

Miyazaki, A; Hatanaka, M

CHEMCATCHEM 11 ( 16 ) 4036 - 4042 2019年08月21日

ISSN: 1867-3880

DOI
Molecular Behavior of Linear Alkylbenzene Sulfonate in Hydrated Crystal, Tilted Gel, and Liquid Crystal Phases Studied by Molecular Dynamics Simulation

Takeda, K; Andoh, Y; Shinoda, W; Okazaki, S

LANGMUIR 35 ( 33 ) 10877 - 10884 2019年08月20日

ISSN: 0743-7463

DOI
Sequencing of Sulfopeptides Using Negative-Ion Tandem Mass Spectrometry with Hydrogen Attachment/Abstraction Dissociation

Asakawa, D; Takahashi, H; Sekiya, S; Iwamoto, S; Tanaka, K

ANALYTICAL CHEMISTRY 91 ( 16 ) 10549 - 10556 2019年08月20日

ISSN: 0003-2700

DOI
Generation and characterization of mid-infrared supercontinuum in polarization maintained ZBLAN fibers

Rezvani, SA; Nomura, Y; Ogawa, K; Fuji, T

OPTICS EXPRESS 27 ( 17 ) 24499 - 24511 2019年08月19日

ISSN: 1094-4087

DOI
In-Depth Theoretical Probe into Novel Mixed-Metal Uranium-Based Endohedral Clusterfullerenes Sc2UX@Ih(31924)-C80 (X = C, N)

Zhao, YX; Yuan, K; Li, MY; Ehara, M; Zhao, X

INORGANIC CHEMISTRY 58 ( 16 ) 10769 - 10777 2019年08月19日

ISSN: 0020-1669

DOI
In-depth characterization of annealing-induced restructuring processes of doped organic adlayers

Zwick, C; Meissner, M; Sojka, F; Forker, R; Fritz, T

PHYSICAL REVIEW MATERIALS 3 ( 8 ) 2019年08月19日

ISSN: 2475-9953

DOI
Proton-Coupled Electron Transfer Induced by Near-Infrared Light

Enomoto, T; Kondo, M; Masaoka, S

CHEMISTRY-AN ASIAN JOURNAL 14 ( 16 ) 2806 - 2809 2019年08月16日

ISSN: 1861-4728

DOI
Structural Elucidation of Tenebrathin: Cytotoxic C-5-Substituted γ-Pyrone with a Nitroaryl Side Chain from Streptoalloteichus tenebrarius

Hoshino, S; Mitsuhashi, T; Kikuchi, T; Wong, CP; Morita, H; Awakawa, T; Fujita, M; Abe, I

ORGANIC LETTERS 21 ( 16 ) 6519 - 6522 2019年08月16日

ISSN: 1523-7060

DOI
Electronic Structure of Sr1-yCayFe2(As1-xPx)2 (x=0.25, y=0.08) Revealed by Angle-Resolved Photoemission Spectroscopy

Adachi, T; Ideta, S; Tin, ZH; Usui, H; Tanaka, K; Miyasaka, S; Tajima, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 88 ( 8 ) 2019年08月15日

ISSN: 0031-9015

DOI
Hybrid films of cellulose nanofibrils, chitosan and nanosilica-Structural, thermal, optical, and mechanical properties

Ismail, MY; Patanen, M; Sirviö, JA; Visanko, M; Ohigashi, T; Kosugi, N; Huttula, M; Liimatainen, H

CARBOHYDRATE POLYMERS 218 87 - 94 2019年08月15日

ISSN: 0144-8617

DOI
Reaction Behavior of the NO Molecule on the Surface of an Mn Particle (M = Ru, Rh, Pd, and Ag; n=13 and 55): Theoretical Study of Its Dependence on Transition-Metal Element

Takagi, N; Ishimura, K; Fukuda, R; Ehara, M; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY A 123 ( 32 ) 7021 - 7033 2019年08月15日

ISSN: 1089-5639

DOI
Anharmonic vibrational computations with a quartic force field for curvilinear coordinates

Harabuchi, Y; Tani, R; De Silva, N; Njegic, B; Gordon, MS; Taketsugu, T

JOURNAL OF CHEMICAL PHYSICS 151 ( 6 ) 2019年08月14日

ISSN: 0021-9606

DOI
Formation of hot ice caused by carbon nanobrushes

Yagasaki, T; Yamasaki, M; Matsumoto, M; Tanaka, H

JOURNAL OF CHEMICAL PHYSICS 151 ( 6 ) 2019年08月14日

ISSN: 0021-9606

DOI
Structural Polymorphism of Actin

Oda, T; Takeda, S; Narita, A; Maéda, Y

JOURNAL OF MOLECULAR BIOLOGY 431 ( 17 ) 3217 - 3228 2019年08月09日

ISSN: 0022-2836

DOI
Well-Ordered Monolayer Growth of Crown-Ether Ring Molecules on Cu(111) in Ultra-High Vacuum: An STM, UPS, and DFT Study

Nemoto, R; Krüger, P; Hartini, ANP; Hosokai, T; Horie, M; Kera, S; Yamada, TK

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 31 ) 18939 - 18950 2019年08月08日

ISSN: 1932-7447

DOI
Copper(I)-Catalyzed Enantioconvergent Borylation of Racemic Benzyl Chlorides Enabled by Quadrant-by-Quadrant Structure Modification of Chiral Bisphosphine Ligands

Iwamoto, H; Endo, K; Ozawa, Y; Watanabe, Y; Kubota, K; Imamoto, T; Ito, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 32 ) 11112 - 11117 2019年08月05日

ISSN: 1433-7851

DOI
Spin Seebeck effect in the layered ferromagnetic insulators CrSiTe3 and CrGeTe3

Ito, N; Kikkawa, T; Barker, J; Hirobe, D; Shiomi, Y; Saitoh, E

PHYSICAL REVIEW B 100 ( 6 ) 2019年08月05日

ISSN: 2469-9950

DOI
Improving thermal durability and mechanical properties of poly(ether ether ketone) with single-walled carbon nanotubes

Ata, S; Hayashi, Y; Thi, TBN; Tomonoha, S; Kawauchi, S; Yamada, T; Hata, K

POLYMER 176 60 - 65 2019年08月02日

ISSN: 0032-3861

DOI
Asymmetric Synthesis of β2-Aryl Amino Acids through Pd-Catalyzed Enantiospecific and Regioselective Ring-Opening Suzuki-Miyaura Arylation of Aziridine-2-carboxylates

Takeda, Y; Matsuno, T; Sharma, AK; Sameera, WMC; Minakata, S

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 43 ) 10226 - 10231 2019年08月01日

ISSN: 0947-6539

DOI
Effect of surface reconstructions on misfit dislocation formation in InAs/GaAs(001)

Yonemoto, K; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年08月01日

ISSN: 0021-4922

DOI
Emergence of Oxygen Reduction Activity in Zirconium Oxide-Based Compounds in Acidic Media: Creation of Active Sites for the Oxygen Reduction Reaction

Ishihara, A; Nagai, T; Ukita, K; Arao, M; Matsumoto, M; Yu, LW; Nakamura, T; Sekizawa, O; Takagi, Y … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 30 ) 18150 - 18159 2019年08月01日

ISSN: 1932-7447

DOI
Metal-atom penetration and diffusion in organic solids: difference between σ- and π- orbital molecular systems

Watanabe, S; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年08月01日

ISSN: 0021-4922

DOI
Soft X-ray photoelectron spectroscopy study on the P segregation process and its effect on the electronic structure of Fe2P(0001)

Sugizaki, Y; Shimato, Y; Yoshida, T; Sugimoto, R; Maejima, N; Edamoto, K

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年08月01日

ISSN: 0021-4922

DOI
Theoretical Insight into Configurational Selectivity of Functionalized Single-Walled Carbon Nanotubes Based on the Clar Sextet Theory

Zhao, P; Maeda, Y; Ehara, M

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 30 ) 18629 - 18637 2019年08月01日

ISSN: 1932-7447

DOI
Accurate high-throughput screening based on digital protein synthesis in a massively parallel femtoliter droplet array

Zhang, Y; Minagawa, Y; Kizoe, H; Miyazaki, K; Iino, R; Ueno, H; Tabata, KV; Shimane, Y; Noji, H

SCIENCE ADVANCES 5 ( 8 ) 2019年08月

ISSN: 2375-2548

DOI
Chemistry of Macrocage Molecules with a Bridged π-Electron System as Crystalline Molecular Gyrotops

Setaka, W; Inagaki, Y; Yamaguchi, K

JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN 77 ( 8 ) 813 - 822 2019年08月

ISSN: 0037-9980

DOI
Classification of mobile- and immobile-molecule timescales for the Stokes-Einstein and Stokes-Einstein-Debye relations in supercooled water

Kawasaki, T; Kim, K

JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT 2019年08月

ISSN: 1742-5468

DOI
Controlled Photodynamic Action of Axial Fluorinated DiethoxyP(V)tetrakis(p-methoxyphenyl)porphyrin through Self-Aggregation

Hirakawa, K; Suzuki, A; Ouyang, DY; Okazaki, S; Ibuki, Y; Nakazaki, J; Segawa, H

CHEMICAL RESEARCH IN TOXICOLOGY 32 ( 8 ) 1638 - 1645 2019年08月

ISSN: 0893-228X

DOI
General Mechanism of Cα-C Peptide Backbone Bond Cleavage in Matrix-Assisted Laser Desorption/Ionization In-Source Decay Mediated by Hydrogen Abstraction

Asakawa, D

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 30 ( 8 ) 1491 - 1502 2019年08月

ISSN: 1044-0305

DOI
Generation and Characterization of Mid-Infrared Supercontinuum in Bulk YAG Pumped by Femtosecond 1937 nm Pulses from a Regenerative Amplifier

Rezvani, SA; Nomura, Y; Fuji, T

APPLIED SCIENCES-BASEL 9 ( 16 ) 2019年08月

DOI
Improved solubility of asymmetric tetraethynylporphyrin derivatives for solution-processed organic solar cells

Ogumi, K; Nakagawa, T; Okada, H; Matsuo, Y

ORGANIC ELECTRONICS 71 50 - 57 2019年08月

ISSN: 1566-1199

DOI
Morphological Changes of Kinetically Trapped Tubular Vesicles Driven by the Production of Synthetic Phospholipids in a Vesicular Membrane

Ishii, I; Ominato, Y; Karasawa, A; Takahashi, T; Matsuo, M; Suzuki, K; Sugawara, T

CHEMISTRY LETTERS 48 ( 8 ) 932 - 935 2019年08月

ISSN: 0366-7022

DOI
Orbital angular momentum of Lienard-Wiechert fields

Kawaguchi, H; Katoh, M

PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS 2019 ( 8 ) 2019年08月

ISSN: 2050-3911

DOI
Organic pn homojunction solar cell

Izawaa, S; Perrot, A; Lee, JH; Hiramoto, M

ORGANIC ELECTRONICS 71 45 - 49 2019年08月

ISSN: 1566-1199

DOI
Ro-vibrationally averaged dipole moments of linear triatomic molecules

Hirano, T; Nagashima, U; Jensen, P; Li, H

JOURNAL OF MOLECULAR SPECTROSCOPY 362 29 - 36 2019年08月

ISSN: 0022-2852

DOI
Synthesis and characterization of LTA-type zeolite by microwave-assisted hydrothermal process

Kumadani, K; Takamatsu, Y; Minami, T; Togo, M; Murata, H; Nakahira, A

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN 127 ( 8 ) 585 - 589 2019年08月

ISSN: 1882-0743

DOI
Temperature dependence of the electronic structure of A-site ordered perovskite CaCu3Ti4O12: Angle-integrated and -resolved photoemission studies

Im, HJ; Sakurada, T; Tsunekawa, M; Watanabe, T; Miyazaki, H; Kimura, S

SOLID STATE COMMUNICATIONS 298 2019年08月

ISSN: 0038-1098

DOI
Temperature- and pressure-dependent adsorption configuration of NO molecules on Rh(111) surface: A theoretical study

Hirai, T; Okoshi, M; Ishikawa, A; Nakai, H

SURFACE SCIENCE 686 58 - 62 2019年08月

ISSN: 0039-6028

DOI
Crystallographic characterization of Er3N@C2n (2n=80, 82, 84, 88): the importance of a planar Er3N cluster

Hu, SF; Zhao, P; Shen, WQ; Yu, PY; Huang, WH; Ehara, M; Xie, YP; Akasaka, T; Lu, X

NANOSCALE 11 ( 28 ) 13415 - 13422 2019年07月28日

ISSN: 2040-3364

DOI
Shear Thinning and Nonlinear Structural Deformation of Ionic Liquids with Long Alkyl Chains Studied by Molecular Dynamics Simulation

Yamaguchi, T

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 29 ) 6260 - 6265 2019年07月25日

ISSN: 1520-6106

DOI
Transformation of Alkatetrayne Monolayers into Nanoflatcables Studied by Ultraviolet Photoelectron Spectroscopy and Metastable Atom Electron Spectroscopy

Sanada, H; Asoma, Y; Ozaki, H; Endo, O; Oike, H; Hasegawa, M; Mazaki, Y

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 29 ) 17781 - 17797 2019年07月25日

ISSN: 1932-7447

DOI
Uncovering the Networks of Topological Neighborhoods in β-Strand and Amyloid β-Sheet Structures

Zhai, LH; Otani, Y; Ohwada, T

SCIENTIFIC REPORTS 9 2019年07月24日

ISSN: 2045-2322

DOI
Spin-symmetry adaptation to the Monte Carlo correction configuration interaction wave functions

Ohtsuka, Y

JOURNAL OF CHEMICAL PHYSICS 151 ( 3 ) 2019年07月23日

ISSN: 0021-9606

DOI
Chiral tectonics toward square planar tetranuclear Pd(ii) complexes: propagation of axial chirality through a long molecular axis

Goto, Y; Watanabe, Y; Noboriguchi, A; Yoshida, J; Mori, S; Sato, H

DALTON TRANSACTIONS 48 ( 27 ) 10138 - 10144 2019年07月21日

ISSN: 1477-9226

DOI
Multiply aryl-substituted dipyrrolyldiketone boron complexes exhibiting anion-responsive emissive properties

Sugiura, S; Kobayashi, Y; Yasuda, N; Maeda, H

CHEMICAL COMMUNICATIONS 55 ( 57 ) 8242 - 8245 2019年07月21日

ISSN: 1359-7345

DOI
Ion-Pairing Assemblies Comprising Anion Complexes of π-Extended Anion-Responsive Molecules

Sugiura, S; Matsuda, W; Zhang, WY; Seki, S; Yasuda, N; Maeda, H

JOURNAL OF ORGANIC CHEMISTRY 84 ( 14 ) 8886 - 8898 2019年07月19日

ISSN: 0022-3263

DOI
Repeated evolution of cytochrome P450-mediated spiroketal steroid biosynthesis in plants

Christ, B; Xu, CC; Xu, ML; Li, FS; Wada, N; Mitchell, AJ; Han, XL; Wen, ML; Fujita, M; Weng, JK

NATURE COMMUNICATIONS 10 2019年07月19日

ISSN: 2041-1723

DOI
Topological molecular nanocarbons: All-benzene catenane and trefoil knot

Segawa, Y; Kuwayama, M; Hijikata, Y; Fushimi, M; Nishihara, T; Pirillo, J; Shirasaki, J; Kubota, N; … 全著者表示

SCIENCE 365 ( 6450 ) 272 - + 2019年07月19日

ISSN: 0036-8075

DOI
Compositions and Isomer Separation of Palladium Oxide Cluster Cations Studied by Ion Mobility Mass Spectrometry

Latif, MA; Wu, JWJ; Nagata, T; Nakano, M; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 28 ) 17580 - 17587 2019年07月18日

ISSN: 1932-7447

DOI
Living annulative π-extension polymerization for graphene nanoribbon synthesis (Retracted article. See vol. 588, pg. 180, 2020)

Yano, Y; Mitoma, N; Matsushima, K; Wang, FJ; Matsui, K; Takakura, A; Miyauchi, Y; Ito, H; Itami, K

NATURE 571 ( 7765 ) 387 - + 2019年07月18日

ISSN: 0028-0836

DOI
Molecular Basis of Mannose Recognition by Pradimicins and their Application to Microbial Cell Surface Imaging

Nakagawa, Y; Doi, T; Takegoshi, K; Sugahara, T; Akase, D; Aida, M; Tsuzuki, K; Watanabe, Y; Tomura, … 全著者表示

CELL CHEMICAL BIOLOGY 26 ( 7 ) 950 - + 2019年07月18日

ISSN: 2451-9448

DOI
Uncovering the Charge Transfer between Carbon Dots and Water by In Situ Soft X-ray Absorption Spectroscopy

Ren, J; Achilleos, DS; Golnak, R; Yuzawa, H; Xiao, J; Nagasaka, M; Reisner, E; Petit, T

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10 ( 14 ) 3843 - 3848 2019年07月18日

ISSN: 1948-7185

DOI
Alternative materials for perovskite solar cells from materials informatics

Kanno, S; Imamura, Y; Hada, M

PHYSICAL REVIEW MATERIALS 3 ( 7 ) 2019年07月17日

ISSN: 2475-9953

DOI
Macromolecular helicity control of poly(phenyl isocyanate)s with a single stimuli-responsive chiral switch

Fukuda, M; Rodríguez, R; Fernández, Z; Nishimura, T; Hirose, D; Watanabe, G; Quiñoá, E; Freire, F; … 全著者表示

CHEMICAL COMMUNICATIONS 55 ( 55 ) 7906 - 7909 2019年07月14日

ISSN: 1359-7345

DOI
Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage

Hashimoto, H; Inagaki, Y; Momma, H; Kwon, E; Yamaguchi, K; Setaka, W

CRYSTENGCOMM 21 ( 26 ) 3910 - 3914 2019年07月14日

DOI
Dynamic structural states of ClpB involved in its disaggregation function (vol 9, 2147, 2018)

Uchihashi, T; Watanabe, YH; Nakazaki, Y; Yamasaki, T; Watanabe, H; Maruno, T; Ishii, K; Uchiyama, S … 全著者表示

NATURE COMMUNICATIONS 10 2019年07月12日

ISSN: 2041-1723

DOI
Geometrical Structures of Gas-Phase Cerium Oxide Cluster Cations Studied by Ion Mobility Mass Spectrometry

Nagata, T; Wu, JNWJ; Nakano, M; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 27 ) 16641 - 16650 2019年07月11日

ISSN: 1932-7447

DOI
Theory of standing spin waves in a finite-size chiral spin soliton lattice

Kishine, J; Sinitsyn, VE; Bostrem, IG; Proskurin, I; Gonsalves, FJT; Togawa, Y; Ovchinnikov, AS

PHYSICAL REVIEW B 100 ( 2 ) 2019年07月09日

ISSN: 2469-9950

DOI
100 Hz operation in 10 PW/sr.cm2 class Nd:YAG Micro-MOPA

Kawasaki, T; Yahia, V; Taira, T

OPTICS EXPRESS 27 ( 14 ) 19555 - 19561 2019年07月08日

ISSN: 1094-4087

DOI
On-Surface Evolution of meso-Isomerism in Two-Dimensional Supramolecular Assemblies

Park, J; Kim, JH; Bak, S; Tahara, K; Jung, J; Kawai, M; Tobe, Y; Kim, Y

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 28 ) 9611 - 9618 2019年07月08日

ISSN: 1433-7851

DOI
Experimental and theoretical study of multinuclear indium-oxo clusters in CHA zeolite for CH4 activation at room temperature

Maeno, Z; Yasumura, S; Liu, C; Toyao, T; Kon, K; Nakayama, A; Hasegawa, J; Shimizu, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 25 ) 13415 - 13427 2019年07月07日

ISSN: 1463-9076

DOI
Luminescence color alteration induced by trapped solvent molecules in crystals of tetrahedral gold(I) complexes: near-unity luminescence mixed with thermally activated delayed fluorescence and phosphorescence

Osawa, M; Yamayoshi, H; Hoshino, M; Tanaka, Y; Akita, M

DALTON TRANSACTIONS 48 ( 25 ) 9094 - 9103 2019年07月07日

ISSN: 1477-9226

DOI
Bronsted Acid-Initiated Formal [1,3]-Rearrangement Dictated by β-Substituted Ene-Aldimines

Jongwohan, C; Honda, Y; Suzuki, T; Fujinami, T; Adachi, K; Momiyama, N

ORGANIC LETTERS 21 ( 13 ) 4991 - 4995 2019年07月05日

ISSN: 1523-7060

DOI
Theoretical Study on the Rhodium-Catalyzed Hydrosilylation of C=C and C=O Double Bonds with Tertiary Silane

Zhao, LM; Nakatani, N; Sunada, Y; Nagashima, H; Hasegawa, J

JOURNAL OF ORGANIC CHEMISTRY 84 ( 13 ) 8552 - 8561 2019年07月05日

ISSN: 0022-3263

DOI
Thiacalix[n]thiophene and thiacalix[n]dithienothiophene: Facile synthesis, molecular structures, and complexation with C60 and C70

Hasegawa, M; Inoue, R; Honda, Y; Mazaki, Y

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 194 ( 7 ) 756 - 759 2019年07月03日

ISSN: 1042-6507

DOI
Pyrrole-Based π-System-PtII Complexes: Chiroptical Properties and Excited-State Dynamics with Microsecond Triplet Lifetimes

Hirata, G; Kobayashi, Y; Sato, R; Shigeta, Y; Yasuda, N; Maeda, H

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 37 ) 8797 - 8804 2019年07月02日

ISSN: 0947-6539

DOI
A Comparative Study on Interactions of Antimicrobial Peptides L- and D-phenylseptin with 1,2-dimyristoyl-sn-glycero-3-phosphocholine

Mijiddorj, B; Matsuo, Y; Sato, H; Ueda, K; Kawamura, I

APPLIED SCIENCES-BASEL 9 ( 13 ) 2019年07月01日

DOI
CO2 reduction by a Mn electrocatalyst in the presence of a Lewis acid: a DFT study on the reaction mechanism

Isegawa, M; Sharma, AK

SUSTAINABLE ENERGY & FUELS 3 ( 7 ) 1730 - 1738 2019年07月01日

ISSN: 2398-4902

DOI
Effect of alkali ions on optical properties of flavins: vibronic spectra of cryogenic M+lumiflavin complexes (M = Li-Cs)

Müller, D; Nieto, P; Miyazaki, M; Dopfer, O

FARADAY DISCUSSIONS 217 256 - 275 2019年07月01日

ISSN: 1359-6640

DOI
Theoretical study of chloro-α, β, γ, δ-tetraphenylporphyrinato cobalt(III) dimer reaction: A reaction path to form π cation radicals

Kohno, Y; Yamamoto, K; Tsuboyama, S; Mori, K

CHEMICAL PHYSICS 523 28 - 33 2019年07月01日

ISSN: 0301-0104

DOI
Development of Surface Fluorescence X-Ray Absorption Fine Structure Spectroscopy Using a Laue-Type Monochromator

Wakisaka, Y; Kido, D; Uehara, H; Yuan, QY; Feiten, FE; Mukai, S; Takakusagi, S; Uemura, Y; Yokoyama … 全著者表示

CHEMICAL RECORD 19 ( 7 ) 1157 - 1165 2019年07月

ISSN: 1527-8999

DOI
High-speed AFM reveals accelerated binding of agitoxin-2 to a K+ channel by induced fit

Sumino, A; Sumikama, T; Uchihashi, T; Oiki, S

SCIENCE ADVANCES 5 ( 7 ) 2019年07月

ISSN: 2375-2548

DOI
Numerical aspect of large-scale electronic state calculation for flexible device material

Hoshi, T; Imachi, H; Kuwata, A; Kakuda, K; Fujita, T; Matsui, H

JAPAN JOURNAL OF INDUSTRIAL AND APPLIED MATHEMATICS 36 ( 2 ) 685 - 698 2019年07月

ISSN: 0916-7005

DOI
Origin of Terrestrial Bioorganic Homochirality and Symmetry Breaking in the Universe

Takahashi, J; Kobayashi, K

SYMMETRY-BASEL 11 ( 7 ) 2019年07月

DOI
SPring-8 BL36XU: Synchrotron Radiation X-Ray-Based Multi-Analytical Beamline for Polymer Electrolyte Fuel Cells under Operating Conditions

Uruga, T; Tada, M; Sekizawa, O; Takagi, Y; Yokoyama, T; Iwasawa, Y

CHEMICAL RECORD 19 ( 7 ) 1444 - 1456 2019年07月

ISSN: 1527-8999

DOI
Surface-size and shape dependencies of change in chiral soliton number in submillimeter-scale crystals of chiral magnet CrNb3S6

Ohkuma, M; Mito, M; Nakamura, N; Tsuruta, K; Ohe, J; Shinozaki, M; Kato, Y; Kishine, J; Kousaka, Y; … 全著者表示

AIP ADVANCES 9 ( 7 ) 2019年07月

ISSN: 2158-3226

DOI
Van der Waals integration of silicene and hexagonal boron nitride

Wiggers, FB; Fleurence, A; Aoyagi, K; Yonezawa, T; Yamada-Takamura, Y; Feng, H; Zhuang, J; Du, Y; K … 全著者表示

2D MATERIALS 6 ( 3 ) 2019年07月

ISSN: 2053-1583

DOI
Mass transport in the PdCu phase structures during hydrogen adsorption and absorption studied by XPS under hydrogen atmosphere

Tang, J; Yamamoto, S; Koitaya, T; Yoshigoe, A; Tokunaga, T; Mukai, K; Matsuda, I; Yoshinobu, J

APPLIED SURFACE SCIENCE 480 419 - 426 2019年06月30日

ISSN: 0169-4332

DOI
Organocopper cross-coupling reaction for C-C bond formation on highly sterically hindered structures

Oi, M; Takita, R; Kanazawa, J; Muranaka, A; Wang, C; Uchiyama, M

CHEMICAL SCIENCE 10 ( 24 ) 6107 - 6112 2019年06月28日

ISSN: 2041-6520

DOI
The role of initial and final states in molecular spectroscopies

Kirchhuebel, T; Monti, OLA; Munakata, T; Kera, S; Forker, R; Fritz, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 24 ) 12730 - 12747 2019年06月28日

ISSN: 1463-9076

DOI
Breakdown of the Perturbative Approach to Molecular Packing Dependence of Singlet Fission Rates in Pentacene Dinner Models: A Systematic Comparison with the Quantum Master Equation Approach

Okada, K; Tonami, T; Nagami, T; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 25 ) 15403 - 15411 2019年06月27日

ISSN: 1932-7447

DOI
Electronic and magnetic properties of the Fe2N monolayer film tuned by substrate symmetry

Hattori, T; Miyamachi, T; Yokoyama, T; Komori, F

JOURNAL OF PHYSICS-CONDENSED MATTER 31 ( 25 ) 2019年06月26日

ISSN: 0953-8984

DOI
sp3 C-H Borylation Catalyzed by Iridium(III) Triboryl Complex: Comprehensive Theoretical Study of Reactivity, Regioselectivity, and Prediction of Excellent Ligand

Zhong, RL; Sakaki, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 ( 25 ) 9854 - 9866 2019年06月26日

ISSN: 0002-7863

DOI
Mechanochromism, Twisted/Folded Structure Determination, and Derivatization of (N-Phenylfluorenylidene)acridane

Matsuo, Y; Wang, Y; Ueno, H; Nakagawa, T; Okada, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 26 ) 8762 - 8767 2019年06月24日

ISSN: 1433-7851

DOI
Alloyed Tetranuclear Metal Chains of Pd4-nPtn (n=0-3) Scaffolded by a New Linear Tetraphosphine Containing a PNP Bridge

Tanase, T; Tanaka, M; Hamada, M; Morita, Y; Nakamae, K; Ura, Y; Nakajima, T

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 35 ) 8219 - 8224 2019年06月21日

ISSN: 0947-6539

DOI
Electronic band dispersion determination in azimuthally disordered transition-metal dichalcogenide monolayers

Park, S; Schultz, T; Han, A; Aljarb, A; Xu, X; Beyer, P; Opitz, A; Ovsyannikov, R; Li, LJ; Meissner … 全著者表示

COMMUNICATIONS PHYSICS 2 2019年06月21日

ISSN: 2399-3650

DOI
Quantum master equation approach to singlet fission dynamics in pentacene ring-shaped aggregate models

Nakano, M

JOURNAL OF CHEMICAL PHYSICS 150 ( 23 ) 2019年06月21日

ISSN: 0021-9606

DOI
Enhanced photo-sensitivity in a Si photodetector using a near-field assisted excitation

Yatsui, T; Okada, S; Takemori, T; Sato, T; Saichi, K; Ogamoto, T; Chiashi, S; Maruyama, S; Noda, M; … 全著者表示

COMMUNICATIONS PHYSICS 2 2019年06月20日

ISSN: 2399-3650

DOI
Highly Planar and Completely Insulated Oligothiophenes: Effects of π-Conjugation on Hopping Charge Transport

Ie, Y; Okamoto, Y; Inoue, T; Tone, S; Seo, T; Honda, Y; Tanaka, S; Lee, SK; Ohto, T; Yamada, R; Tad … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10 ( 12 ) 3197 - 3204 2019年06月20日

ISSN: 1948-7185

DOI
Implications of a Water Molecule for Photoactivation of Plant (6-4) Photolyase

Hosokawa, Y; Sato, R; Iwai, S; Yamamoto, J

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 24 ) 5059 - 5068 2019年06月20日

ISSN: 1520-6106

DOI
Molecular Dynamics Study on Dynamical Features of Reorganization Process for Nanocapsule Formed with Gear-Shaped Amphiphile Molecules

Mashiko, T; Hiraoka, S; Nagashima, U; Tachikawa, M

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 24 ) 5176 - 5180 2019年06月20日

ISSN: 1520-6106

DOI
Roles of Superchirality and Interference in Chiral Plasmonic Biodetection

Gilroy, C; Hashiyada, S; Endo, K; Karimullah, AS; Barron, LD; Okamoto, H; Togawa, Y; Kadodwala, M

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 24 ) 15195 - 15203 2019年06月20日

ISSN: 1932-7447

DOI
Structural Evolution of Iridium Oxide Cluster Anions IrnOm- (n=5-8) with Sequential Oxidation: Binding Mode of O Atoms and Ir Framework

Tomihara, R; Koyasu, K; Nagata, T; Wu, JWJ; Nakano, M; Ohshimo, K; Misaizu, F; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 24 ) 15301 - 15306 2019年06月20日

ISSN: 1932-7447

DOI
Temperature-driven modification of surface electronic structure on bismuth, a topological border material

Ohtsubo, Y; Yamashita, Y; Kishi, J; Idetak, S; Tanaka, K; Yamane, H; Rault, JE; Le Fèvre, P; Bertra … 全著者表示

JOURNAL OF PHYSICS D-APPLIED PHYSICS 52 ( 25 ) 2019年06月19日

ISSN: 0022-3727

DOI
A Peanut-Shaped Polyaromatic Capsule: Solvent-Dependent Transformation and Electronic Properties of a Non-Contacted Fullerene Dimer

Matsumoto, K; Kusaba, S; Tanaka, Y; Sei, Y; Akita, M; Aritani, K; Haga, M; Yoshizawa, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 25 ) 8463 - 8467 2019年06月17日

ISSN: 1433-7851

DOI
Finite-temperature-based linear-scaling divide-and-conquer self-consistent field method for static electron correlation systems

Yoshikawa, T; Doi, T; Nakai, H

CHEMICAL PHYSICS LETTERS 725 18 - 23 2019年06月16日

ISSN: 0009-2614

DOI
KaiC from a cyanobacterium Gloeocapsa sp. PCC 7428 retains functional and structural properties required as the core of circadian clock system

Mukaiyama, A; Ouyang, DY; Furuike, Y; Akiyama, S

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES 131 67 - 73 2019年06月15日

ISSN: 0141-8130

DOI
Theoretical analysis and modeling of the electrostatic responses of the vibrational and NMR spectroscopic properties of the cyanide anion

Torii, H

JOURNAL OF MOLECULAR LIQUIDS 284 773 - 779 2019年06月15日

ISSN: 0167-7322

DOI
Hydrogen atom attachment to histidine and tryptophan containing peptides in the gas phase

Asakawa, D; Takahashi, H; Iwamoto, S; Tanaka, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 22 ) 11633 - 11641 2019年06月14日

ISSN: 1463-9076

DOI
Substitution-Pattern- and Counteranion-Depending Ion-Pairing Assemblies Based on Electron-Deficient Porphyrin-AuIII Complexes

Tanaka, H; Haketa, Y; Yasuda, N; Maeda, H

CHEMISTRY-AN ASIAN JOURNAL 14 ( 12 ) 2129 - 2137 2019年06月14日

ISSN: 1861-4728

DOI
Magnetic and electronic properties of B-site-ordered double-perovskite oxide La2CrMnO6 thin films

Yoshimatsu, K; Ishimaru, J; Watarai, K; Yamamoto, K; Hirata, Y; Wadati, H; Takeda, Y; Horiba, K; Ku … 全著者表示

PHYSICAL REVIEW B 99 ( 23 ) 2019年06月13日

ISSN: 2469-9950

DOI
Selective triplet exciton formation in a single molecule

Kimura, K; Miwa, K; Imada, H; Imai-Imada, M; Kawahara, S; Takeya, J; Kawai, M; Galperin, M; Kim, Y

NATURE 570 ( 7760 ) 210 - + 2019年06月13日

ISSN: 0028-0836

DOI
Spectral phase control of interfering chirped pulses for high-energy narrowband terahertz generation

Jolly, SW; Matlis, NH; Ahr, F; Leroux, V; Eichner, T; Calendron, AL; Ishizuki, H; Taira, T; Kärtner … 全著者表示

NATURE COMMUNICATIONS 10 2019年06月13日

ISSN: 2041-1723

DOI
Reversible Sodium Metal Electrodes: Is Fluorine an Essential Interphasial Component?

Doi, K; Yamada, Y; Okoshi, M; Ono, J; Chou, CP; Nakai, H; Yamada, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 24 ) 8024 - 8028 2019年06月11日

ISSN: 1433-7851

DOI
A Bayesian approach for identification of ice Ih, ice Ic, high density, and low density liquid water with a torsional order parameter

Matsumoto, M; Yagasaki, T; Tanaka, H

JOURNAL OF CHEMICAL PHYSICS 150 ( 21 ) 2019年06月07日

ISSN: 0021-9606

DOI
Bridging the gap between molecular dynamics and hydrodynamics in nanoscale Brownian motions

Mizuta, K; Ishii, Y; Kim, K; Matubayasi, N

SOFT MATTER 15 ( 21 ) 4380 - 4390 2019年06月07日

ISSN: 1744-683X

DOI
Dinuclear ruthenium acetylide complexes with diethynylated anthrahydroquinone and anthraquinone frameworks: a multi-stimuli-responsive organometallic switch

Oyama, Y; Kawano, R; Tanaka, Y; Akita, M

DALTON TRANSACTIONS 48 ( 21 ) 7432 - 7441 2019年06月07日

ISSN: 1477-9226

DOI
Effects of surface and twinning energies on twining-superlattice formation in group III-V semiconductor nanowires: a first-principles study

Akiyama, T; Nakamura, K; Ito, T

NANOTECHNOLOGY 30 ( 23 ) 2019年06月07日

ISSN: 0957-4484

DOI
Liquid-liquid separation of aqueous solutions: A molecular dynamics study

Yagasaki, T; Matsumoto, M; Tanaka, H

JOURNAL OF CHEMICAL PHYSICS 150 ( 21 ) 2019年06月07日

ISSN: 0021-9606

DOI
Robust Triplatinum Redox-Chromophore for a Post-Synthetic Color-Tunable Electrochromic System

Yoshida, M; Shitama, H; Sameera, WMC; Kobayashi, A; Kato, M

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 32 ) 7669 - 7678 2019年06月07日

ISSN: 0947-6539

DOI
Dcdftbmd: Divide-and-Conquer Density Functional Tight-Binding Program for Huge-System Quantum Mechanical Molecular Dynamics Simulations

Nishimura, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 15 ) 1538 - 1549 2019年06月05日

ISSN: 0192-8651

DOI
Formation of Giant and Small Cyclic Complexes from a Flexible Tripeptide Ligand Controlled by Metal Coordination and Hydrogen Bonds

Miyake, R; Ando, A; Ueno, M; Muraoka, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 ( 22 ) 8675 - 8679 2019年06月05日

ISSN: 0002-7863

DOI
Light-driven molecular switch for reconfigurable spin filters

Suda, M; Thathong, Y; Promarak, V; Kojima, H; Nakamura, M; Shiraogawa, T; Ehara, M; Yamamoto, HM

NATURE COMMUNICATIONS 10 2019年06月05日

ISSN: 2041-1723

DOI
Synergistic Cu2 Catalysts for Formic Acid Dehydrogenation

Nakajima, T; Kamiryo, Y; Kishimoto, M; Imai, K; Nakamae, K; Ura, Y; Tanase, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 ( 22 ) 8732 - 8736 2019年06月05日

ISSN: 0002-7863

DOI
SO2-Tolerant Selective Catalytic Reduction of NOx over Meso-TiO2@Fe2O3@Al2O3 Metal-Based Monolith Catalysts

Han, LP; Gao, M; Hasegawa, J; Li, SX; Shen, YJ; Li, HR; Shi, LY; Zhang, DS

ENVIRONMENTAL SCIENCE & TECHNOLOGY 53 ( 11 ) 6462 - 6473 2019年06月04日

ISSN: 0013-936X

DOI
Photoexcitation of a one-dimensional polarization-inverted domain from the charge-ordered ferroelectric ground state of (TMTTF)2PF6

Yamaguchi, T; Asada, K; Yamakawa, H; Miyamoto, T; Iwano, K; Nakamura, T; Kida, N; Okamoto, H

PHYSICAL REVIEW B 99 ( 24 ) 2019年06月03日

ISSN: 2469-9950

DOI
Buckling instability of smectic lamellar phase affected by the constituent molecular shape

Sakamoto, M; Hanasaki, I

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年06月01日

ISSN: 0021-4922

DOI
Correlations of computational ionization energy with experimental oxidation potential and with antioxidant efficiencies in catechins

Nagaoka, S; Nakayama, N; Teramae, H; Nagashima, U

CHEMICAL PHYSICS 522 77 - 83 2019年06月01日

ISSN: 0301-0104

DOI
Development and Optimization of Expression, Purification, and ATPase Assay of KaiC for Medium-Throughput Screening of Circadian Clock Mutants in Cyanobacteria

Ouyang, DY; Furuike, Y; Mukaiyama, A; Ito-Miwa, K; Kondo, T; Akiyama, S

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 20 ( 11 ) 2019年06月01日

DOI
First-principle study of the oxidation mechanism of formaldehyde and hypophosphite for copper and nickel electroless deposition process

Onabuta, Y; Kunimoto, M; Nakai, H; Homma, T

ELECTROCHIMICA ACTA 307 536 - 542 2019年06月01日

ISSN: 0013-4686

DOI
First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

Yayama, T; Lu, AKA; Morishita, T; Nakanishi, T

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年06月01日

ISSN: 0021-4922

DOI
Persistent superconductivity in atomic layer-magnetic molecule van der Waals heterostructures: a comparative study

Uchihashi, T; Yoshizawa, S; Minamitani, E; Watanabe, S; Takagi, Y; Yokoyama, T

MOLECULAR SYSTEMS DESIGN & ENGINEERING 4 ( 3 ) 511 - 518 2019年06月01日

ISSN: 2058-9689

DOI
Structural analysis of polarity inversion boundary in sputtered AlN films annealed under high temperatures

Akiyma, T; Uchino, M; Nakamura, K; Ito, T; Xiao, SY; Miyake, H

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年06月01日

ISSN: 0021-4922

DOI
Theoretical investigations on the growth mode of GaN thin films on an AlN(0001) substrate

Tsumuki, S; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年06月01日

ISSN: 0021-4922

DOI
Theoretical investigations on the structural stability and miscibility in BAlN and BGaN alloys: bond-order interatomic potential calculations

Hasegawa, Y; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年06月01日

ISSN: 0021-4922

DOI
Thermodynamic analysis of semipolar GaN and AlN under metalorganic vapor phase epitaxy growth conditions

Seta, Y; Pradipto, AM; Akiyama, T; Nakamura, K; Ito, T; Kusaba, A; Kangawa, Y

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年06月01日

ISSN: 0021-4922

DOI
Adsorption Forms of Water Molecules on Gas-Phase Platinum Clusters Pt3+ Studied by Vibrational Photodissociation Spectroscopy

Mafuné, F; Abe, M; Kudoh, S

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS 233 ( 6 ) 881 - 894 2019年06月

ISSN: 0942-9352

DOI
Ambient pressure synthesis of La2LiHO3 as a solid electrolyte for a hydrogen electrochemical cell

Matsui, N; Kobayashi, G; Suzuki, K; Watanabe, A; Kubota, A; Iwasaki, Y; Yonemura, M; Hirayama, M; K … 全著者表示

JOURNAL OF THE AMERICAN CERAMIC SOCIETY 102 ( 6 ) 3228 - 3235 2019年06月

ISSN: 0002-7820

DOI
Copper-Catalyzed Regioselective C-H Amination of Phenol Derivatives with Assistance of Phenanthroline-Based Bidentate Auxiliary

Takamatsu, K; Hayashi, Y; Kawauchi, S; Hirano, K; Miura, M

ACS CATALYSIS 9 ( 6 ) 5336 - 5344 2019年06月

ISSN: 2155-5435

DOI
Correlation between Slow Magnetic Relaxations and Molecular Structures of Dy(III) Complexes with N5O4 Nona-Coordination

Kobayashi, K; Harada, Y; Ikenaga, K; Kitagawa, Y; Nakano, M; Kajiwara, T

MAGNETOCHEMISTRY 5 ( 2 ) 2019年06月

DOI
Effects of Perpendicular Aryl Groups on Electronic Properties and Complexation of 4,4-Dihydrodithienosilole

Tsurusaki, A; Kyushin, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 92 ( 6 ) 1039 - 1046 2019年06月

ISSN: 0009-2673

DOI
Importance of Side-Chains on Molecular Characteristics of Interacting Organic Molecules

Mishima, K; Yamashita, K

ACS OMEGA 4 ( 6 ) 10396 - 10404 2019年06月

ISSN: 2470-1343

DOI
NMR Characterization of Conformational Dynamics and Molecular Assemblies of Proteins

Yagi-Utsumi, M

BIOLOGICAL & PHARMACEUTICAL BULLETIN 42 ( 6 ) 867 - 872 2019年06月

ISSN: 0918-6158

DOI
Simulation of Conductive Atomic Force Microscopy of Organic Photovoltaics by Dynamic Monte Carlo Method

Kawashima, E; Fujii, M; Yamashita, K

CHEMISTRY LETTERS 48 ( 6 ) 513 - 516 2019年06月

ISSN: 0366-7022

DOI
Small Structural Changes in the Alkyl Substituents of Macrocyclic π-Extended Thiophene Oligomers Causes a Key Effect on Their Stacking and Functional Properties

Fujiwara, T; Takashika, M; Hasegawa, M; Ie, Y; Aso, Y; Aoyagi, S; Otani, H; Iyoda, M

CHEMPLUSCHEM 84 ( 6 ) 694 - 703 2019年06月

ISSN: 2192-6506

DOI
Stepwise Homogeneous Melting of Benzene Phase I at High Pressure

Mahesta, R; Mochizuki, K

CRYSTALS 9 ( 6 ) 2019年06月

ISSN: 2073-4352

DOI
Spurious violation of the Stokes-Einstein-Debye relation in supercooled water

Kawasaki, T; Kim, K

SCIENTIFIC REPORTS 9 2019年05月31日

ISSN: 2045-2322

DOI
Diffusion dynamics of supercooled water modeled with the cage-jump motion and hydrogen-bond rearrangement

Kikutsuji, T; Kim, K; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 150 ( 20 ) 2019年05月28日

ISSN: 0021-9606

DOI
Host-Guest Hydrogen Bonding Varies the Charge-State Behavior of Magnetic Sponges

Zhang, J; Kosaka, W; Kitagawa, Y; Miyasaka, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 22 ) 7351 - 7356 2019年05月27日

ISSN: 1433-7851

DOI
Non-trivial surface states of samarium hexaboride at the (111) surface

Ohtsubo, Y; Yamashita, Y; Hagiwara, K; Ideta, S; Tanaka, K; Yukawa, R; Horiba, K; Kumigashira, H; M … 全著者表示

NATURE COMMUNICATIONS 10 2019年05月24日

ISSN: 2041-1723

DOI
DFT Mechanistic Study on the Complete Oxidation of Ethylene by the Silica-Supported Pt Catalyst: C=C Activation via the Ethylene Dioxide Intermediate

Miyazaki, R; Nakatani, N; Levchenko, SV; Yokoya, T; Nakajima, K; Hara, K; Fukuoka, A; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 20 ) 12706 - 12715 2019年05月23日

ISSN: 1932-7447

DOI
Optical evidence of the type-II Weyl semimetals MoTe2 and WTe2

Kimura, S; Nakajima, Y; Mita, Z; Jha, R; Higashinaka, R; Matsuda, TD; Aoki, Y

PHYSICAL REVIEW B 99 ( 19 ) 2019年05月20日

ISSN: 2469-9950

DOI
Solvent-Free A3 and KA2 Coupling Reactions with mol ppm Level Loadings of a Polymer-Supported Copper(II)-Bipyridine Complex for Green Synthesis of Propargylamines

Yan, S; Pan, SG; Osako, T; Uozumi, Y

ACS SUSTAINABLE CHEMISTRY & ENGINEERING 7 ( 10 ) 9097 - 9102 2019年05月20日

ISSN: 2168-0485

DOI
Ultrafast quantum-path interferometry revealing the generation process of coherent phonons

Nakamura, KG; Yokota, K; Okuda, Y; Kase, R; Kitashima, T; Mishima, Y; Shikano, Y; Kayanuma, Y

PHYSICAL REVIEW B 99 ( 18 ) 2019年05月20日

ISSN: 2469-9950

DOI
Constrained sialic acid donors enable selective synthesis of α-glycosides

Komura, N; Kato, K; Udagawa, T; Asano, S; Tanaka, HN; Imamura, A; Ishida, H; Kiso, M; Ando, H

SCIENCE 364 ( 6441 ) 677 - + 2019年05月17日

ISSN: 0036-8075

DOI
Synthesis of Benzothieno[60]fullerenes through Fullerenyl Cation Intermediates

Matsuo, Y; Yu, Y; Yang, XY; Ueno, H; Okada, H; Shibuya, H; Choi, YS; Jin, YW

JOURNAL OF ORGANIC CHEMISTRY 84 ( 10 ) 6270 - 6277 2019年05月17日

ISSN: 0022-3263

DOI
On the Elementary Chemical Mechanisms of Unidirectional Proton Transfers: A Nonadiabatic Electron-Wavepacket Dynamics Study

Yamamoto, K; Takatsuka, K

JOURNAL OF PHYSICAL CHEMISTRY A 123 ( 19 ) 4125 - 4138 2019年05月16日

ISSN: 1089-5639

DOI
Anthracene-Attached Persistent Tricyclic Aromatic Hydrocarbon Radicals

Nishiuchi, T; Ito, R; Takada, A; Yasuda, Y; Nagata, T; Stratmann, E; Kubo, T

CHEMISTRY-AN ASIAN JOURNAL 14 ( 10 ) 1830 - 1836 2019年05月15日

ISSN: 1861-4728

DOI
Arylpyrrolyldiketone Boron Complexes Exhibiting Various Anion-Binding Modes Based on Dynamic Conformation Changes

Kuno, A; Fujiwara, M; Haketa, Y; Maeda, H

CHEMISTRY-AN ASIAN JOURNAL 14 ( 10 ) 1777 - 1785 2019年05月15日

ISSN: 1861-4728

DOI
Bis-copper(II) Complex of Triply-linked Corrole Dimer and Its Dication

Ooi, S; Tanaka, T; Ikeue, T; Yamasumi, K; Ueta, K; Shimizu, D; Ishida, M; Furuta, H; Osuka, A

CHEMISTRY-AN ASIAN JOURNAL 14 ( 10 ) 1771 - 1776 2019年05月15日

ISSN: 1861-4728

DOI
Multicomponent QM study on the reaction of HOSO + NO2 with H2O: Nuclear quantum effect on structure and reaction energy profile

Sugimoto, H; Tachikawa, M; Udagawa, T

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 119 ( 10 ) 2019年05月15日

ISSN: 0020-7608

DOI
Peripheral Modifications of meso-Hydroxyporphyrins: Formation of π-Electronic Anions and Ion-Pairing Assemblies

Sasano, Y; Haketa, Y; Tanaka, H; Yasuda, N; Hisaki, I; Maeda, H

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 27 ) 6712 - 6717 2019年05月10日

ISSN: 0947-6539

DOI
Synthesis of Chiral Labtb and Visualization of Its Enantiomeric Excess by Induced Circular Dichroism Imaging

Yamada, T; Eguchi, T; Wakiyama, T; Narushima, T; Okamoto, H; Kimizuka, N

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 27 ) 6698 - 6702 2019年05月10日

ISSN: 0947-6539

DOI
Importance of the Parallel Component of the Transition Moments to the 1Π1 (5A') and 3Π1 (3A') Excited States of ICN in the (A)over-tilde-Band Photodissociation

Kashimura, T; Yabushita, S

JOURNAL OF PHYSICAL CHEMISTRY A 123 ( 18 ) 4000 - 4013 2019年05月09日

ISSN: 1089-5639

DOI
Highly soluble C2v-symmetrical fullerene derivatives: efficient synthesis, characterization, and electrochemical study

Ma, Y; Uchiyama, K; Ueno, H; Okada, H; Moriyama, H; Matsuo, Y

ORGANIC CHEMISTRY FRONTIERS 6 ( 9 ) 1372 - 1377 2019年05月07日

ISSN: 2052-4129

DOI
Pentanuclear iron catalysts for water oxidation: substituents provide two routes to control onset potentials

Praneeth, VKK; Kondo, M; Okamura, M; Akai, T; Izu, H; Masaoka, S

CHEMICAL SCIENCE 10 ( 17 ) 4628 - 4639 2019年05月07日

ISSN: 2041-6520

DOI
Probing molecular bond-length using molecular-frame photoelectron angular distributions

Fukuzawa, H; Lucchese, RR; Liu, XJ; Sakai, K; Iwayama, H; Nagaya, K; Kreidi, K; Schöffler, MS; Harr … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 150 ( 17 ) 2019年05月07日

ISSN: 0021-9606

DOI
Self-diffusion of water-cyclohexane mixtures in supercritical conditions as studied by NMR and molecular dynamics simulation

Yoshida, K; Nakahara, M

JOURNAL OF CHEMICAL PHYSICS 150 ( 17 ) 2019年05月07日

ISSN: 0021-9606

DOI
Si 1s-1, 2s-1 and 2p-1 lifetime broadening of SiX4 (X = F, Cl, Br, CH3) molecules: SiF4 anomalous behaviour reassessed

Püttner, R; Marchenko, T; Guillemin, R; Journel, L; Goldsztejn, G; Céolin, D; Takahashi, O; Ueda, K … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 17 ) 8827 - 8836 2019年05月07日

ISSN: 1463-9076

DOI
DNA Length-dependent Division of a Giant Vesicle-based Model Protocell

Matsuo, M; Kan, Y; Kurihara, K; Jimbo, T; Imai, M; Toyota, T; Hirata, Y; Suzuki, K; Sugawara, T

SCIENTIFIC REPORTS 9 2019年05月06日

ISSN: 2045-2322

DOI
Dibenzo[b,e]phosphindolizines synthesized by a ring-closing metathesis of benzo[b]phospholes with two vinyl tethers

Tsurusaki, A; Matsumoto, H; Kamikawa, K

CHEMICAL COMMUNICATIONS 55 ( 34 ) 4909 - 4912 2019年05月04日

ISSN: 1359-7345

DOI
Control of Molecular Orientation in Organic Semiconductor Films using Weak Hydrogen Bonds

Watanabe, Y; Yokoyama, D; Koganezawa, T; Katagiri, H; Ito, T; Ohisa, S; Chiba, T; Sasabe, H; Kido, J

ADVANCED MATERIALS 31 ( 18 ) 2019年05月03日

ISSN: 0935-9648

DOI
Conformational Change of Amyloid-β40 in Association with Binding to GM1-Glycan Cluster

Tachi, Y; Okamoto, Y; Okumura, H

SCIENTIFIC REPORTS 9 2019年05月02日

ISSN: 2045-2322

DOI
Difluoroboron Chelation to Quinacridonequinone: A Synthetic Method for Air-Sensitive 6,13-Dihydroxyquinacridone via Boron Complexes

Moriya, K; Shimada, R; Ono, K

CHEMISTRY-AN ASIAN JOURNAL 14 ( 9 ) 1452 - 1456 2019年05月02日

ISSN: 1861-4728

DOI
Theoretical Study on the Difference in Electron Conductivity of a One-Dimensional Penta-Nickel(II) Complex between Anti-Ferromagnetic and Ferromagnetic StatesPossibility of Molecular Switch with Open-Shell Molecules

Kitagawa, Y; Tada, H; Era, I; Fujii, T; Ikenaga, K; Nakano, M

MOLECULES 24 ( 10 ) 2019年05月02日

ISSN: 1420-3049

DOI
High sensitivity detection of the frontier electronic states of CH3NH3PbI3 single crystals by low energy excitation

Yamanaka, S; Tonami, K; Iwashita, M; Yoshida, K; Takeuchi, R; Ideta, S; Tanaka, K; Mase, K; Yamada, … 全著者表示

APPLIED PHYSICS EXPRESS 12 ( 5 ) 2019年05月01日

ISSN: 1882-0778

DOI
Interaction between dyes and SeCN--(SeCN)2 redox mediator in dye-sensitized solar cells

Kusama, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 376 255 - 262 2019年05月01日

ISSN: 1010-6030

DOI
Molecular and Structural Basis of the Proteasome Subunit Assembly Mechanism Mediated by the Proteasome-Assembling Chaperone PAC3-PAC4 Heterodimer

Satoh, T; Yagi-Utsumi, M; Okamoto, K; Kurimoto, E; Tanaka, K; Kato, K

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 20 ( 9 ) 2019年05月01日

DOI
A virtual stretch of light pulse interval by pulsed electron extraction introduced into a magnetic bottle electron spectrometer

Hikosaka, Y

REVIEW OF SCIENTIFIC INSTRUMENTS 90 ( 5 ) 2019年05月

ISSN: 0034-6748

DOI
Aqueous Flow Hydroxycarbonylation of Aryl Halides Catalyzed by an Amphiphilic Polymer-Supported Palladium-Diphenylphosphine Catalyst

Osako, T; Kaiser, R; Torii, K; Uozumi, Y

SYNLETT 30 ( 8 ) 961 - 966 2019年05月

ISSN: 0936-5214

DOI
CO2 Activation and Reaction on Zn-Deposited Cu Surfaces Studied by Ambient-Pressure X-ray Photoelectron Spectroscopy

Koitaya, T; Yamamoto, S; Shiozawa, Y; Yoshikura, Y; Hasegawa, M; Tang, JY; Takeuchi, K; Mukai, K; Y … 全著者表示

ACS CATALYSIS 9 ( 5 ) 4539 - 4550 2019年05月

ISSN: 2155-5435

DOI
Computational Study on the Mechanism and Origin of the Regioselectivity and Stereospecificity in Pd/SIPr-Catalyzed Ring-Opening Cross-Coupling of 2-Arylaziridines with Arylboronic Acids

Sharma, AK; Sameera, WMC; Takeda, Y; Minakata, S

ACS CATALYSIS 9 ( 5 ) 4582 - 4592 2019年05月

ISSN: 2155-5435

DOI
Dynamic assembly of protein disulfide isomerase in catalysis of oxidative folding

Okumura, M; Noi, K; Kanemura, S; Kinoshita, M; Saio, T; Inoue, Y; Hikima, T; Akiyama, S; Ogura, T; … 全著者表示

NATURE CHEMICAL BIOLOGY 15 ( 5 ) 499 - + 2019年05月

ISSN: 1552-4450

DOI
Fabrication of Highly Oriented Multilayer Films of Picene and DNTT on Their Bulklike Monolayer

Zhang, CY; Tsuboi, H; Hasegawa, Y; Iwasawa, M; Sasaki, M; Wakayama, Y; Ishii, H; Yamada, Y

ACS OMEGA 4 ( 5 ) 8669 - 8673 2019年05月

ISSN: 2470-1343

DOI
Gold-Palladium Nanocluster Catalysts for Homocoupling: Electronic Structure and Interface Dynamics

Ehara, M; Priyakumar, UD

CHEMICAL RECORD 19 ( 5 ) 947 - 959 2019年05月

ISSN: 1527-8999

DOI
Metastability of carbonyl sulfide dications studied by multi-electron-ion coincidence spectroscopy

Hikosaka, Y; Shigemasa, E

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 439 13 - 18 2019年05月

ISSN: 1387-3806

DOI
N-glycome inheritance from cells to extracellular vesicles in B16 melanomas

Harada, Y; Kizuka, Y; Tokoro, Y; Kondo, K; Yagi, H; Kato, K; Inoue, H; Taniguchi, N; Maruyama, I

FEBS LETTERS 593 ( 9 ) 942 - 951 2019年05月

ISSN: 0014-5793

DOI
On-demand photonic entanglement synthesizer

Takeda, S; Takase, K; Furusawa, A

SCIENCE ADVANCES 5 ( 5 ) 2019年05月

ISSN: 2375-2548

DOI
Synthesis of Pyrrole-Containing Chiral Spiro Molecules and Their Optical and Chiroptical Properties

Takase, K; Noguchi, K; Nakano, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 92 ( 5 ) 1008 - 1017 2019年05月

ISSN: 0009-2673

DOI
Two-dimensional ground-state mapping of a Mott-Hubbard system in a flexible field-effect device

Kawasugi, Y; Seki, K; Tajima, S; Pu, J; Takenobu, T; Yunoki, S; Yamamoto, HM; Kato, R

SCIENCE ADVANCES 5 ( 5 ) 2019年05月

ISSN: 2375-2548

DOI
Tris-Fused Tetrathiafulvalenes Extended with an Anthraquinoid Spacer as New Positive Electrode Materials for Rechargeable Batteries

Ogi, D; Fujita, Y; Kato, M; Yamauchi, T; Shirahata, T; Yao, M; Misaki, Y

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2019 ( 16 ) 2725 - 2728 2019年04月30日

ISSN: 1434-193X

DOI
Molecular mechanism of material deformation and failure in butadiene rubber: Insight from all-atom molecular dynamics simulation using a bond breaking potential model

Payal, RS; Fujimoto, K; Jang, C; Shinoda, W; Takei, Y; Shima, H; Tsunoda, K; Okazaki, S

POLYMER 170 113 - 119 2019年04月29日

ISSN: 0032-3861

DOI
Extension and acceleration of relativistic density functional theory based on transformed density operator

Ikabata, Y; Oyama, T; Hayami, M; Seino, J; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 150 ( 16 ) 2019年04月28日

ISSN: 0021-9606

DOI
Liquid Crystals Comprising π-Electronic Ions from Porphyrin-AuIII Complexes

Haketa, Y; Bando, Y; Sasano, Y; Tanaka, H; Yasuda, N; Hisaki, I; Maeda, H

ISCIENCE 14 241 - + 2019年04月26日

DOI
A gas-plastic elastomer that quickly self-heals damage with the aid of CO2 gas

Miwa, Y; Taira, K; Kurachi, J; Udagawa, T; Kutsumizu, S

NATURE COMMUNICATIONS 10 2019年04月23日

ISSN: 2041-1723

DOI
Hydrogen storage mechanism and diffusion in metal-organic frameworks

Koizumi, K; Nobusada, K; Boero, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 15 ) 7756 - 7764 2019年04月21日

ISSN: 1463-9076

DOI
Identification of the Deprotonated Pyrrole Nitrogen of the Bilin-Based Photoreceptor by Raman Spectroscopy with an Advanced Computational Analysis

Osoegawa, S; Miyoshi, R; Watanabe, K; Hirose, Y; Fujisawa, T; Ikeuchi, M; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 15 ) 3242 - 3247 2019年04月18日

ISSN: 1520-6106

DOI
Direct Wave-Vector Excitation in an Indirect-Band-Gap Semiconductor of Silicon with an Optical Near-field

Noda, M; Iida, K; Yamaguchi, M; Yatsui, T; Nobusada, K

PHYSICAL REVIEW APPLIED 11 ( 4 ) 2019年04月17日

ISSN: 2331-7019

DOI
Initial Mn2+ binding site in photoassembly of the water-oxidizing Mn4CaO5 cluster in photosystem II as studied by quantum mechanics/molecular mechanics calculations

Nakamura, S; Noguchi, T

CHEMICAL PHYSICS LETTERS 721 62 - 67 2019年04月16日

ISSN: 0009-2614

DOI
Characterization of Rh-Al Bond in Rh(PAIP) (PAIP = Pincer-type Diphosphino-Aluminyl Ligand) in Comparison with Rh(L)(PMe3)2 (L = AlMe2, Al(NMe2)2, BR2, SiR3, CH3, Cl, or OCH3): Theoretical Insight

Kuriakose, N; Zheng, JJ; Saito, T; Hara, N; Nakao, Y; Sakaki, S

INORGANIC CHEMISTRY 58 ( 8 ) 4894 - 4906 2019年04月15日

ISSN: 0020-1669

DOI
First-principles study on visible light absorption of defected SrNbO3

Kaneko, M; Mishima, K; Yamashita, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 375 175 - 180 2019年04月15日

ISSN: 1010-6030

DOI
Growth mode in heteroepitaxial system from nano- and macro-theoretical viewpoints

Ito, T; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 512 41 - 46 2019年04月15日

ISSN: 0022-0248

DOI
Mechanism of the electroneutral sodium/proton antiporter PaNhaP from transition-path shooting

Okazaki, K; Wöhlert, D; Warnau, J; Jung, H; Yildiz, Ö; Kühlbrandt, W; Hummer, G

NATURE COMMUNICATIONS 10 2019年04月15日

ISSN: 2041-1723

DOI
Microscopic formulation of nonlinear spin current induced by spin pumping

Kameda, M; Hirobe, D; Daimon, S; Shiomi, Y; Takahashi, S; Saitoh, E

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 476 459 - 463 2019年04月15日

ISSN: 0304-8853

DOI
Quantitative Comparison between Electronic Raman Scattering and Angle-Resolved Photoemission Spectra in Bi2Sr2CaCu2O8+δ Superconductors: Doping Dependence of Nodal and Antinodal Superconducting Gaps

Tanaka, K; Hieu, N; Vincini, G; Masui, T; Miyasaka, S; Tajima, S; Sasagawa, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 88 ( 4 ) 2019年04月15日

ISSN: 0031-9015

DOI
Fraternal twins: distinction between PbPc and SnPc by their switching behaviour in a scanning tunnelling microscope

Forker, R; Gruenewald, M; Sojka, F; Peuker, J; Mueller, P; Zwick, C; Huempfner, T; Meissner, M; Fri … 全著者表示

JOURNAL OF PHYSICS-CONDENSED MATTER 31 ( 13 ) 2019年04月03日

ISSN: 0953-8984

DOI
Networks of electrostatic and hydrophobic interactions modulate the complex folding free energy surface of a designed βα protein

Basak, S; Nobrega, RP; Tavella, D; Deveau, LM; Koga, N; Tatsumi-Koga, R; Baker, D; Massi, F; Matthe … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 116 ( 14 ) 6806 - 6811 2019年04月02日

ISSN: 0027-8424

DOI
An ab initio study for the formation of two-dimensional III-nitride compound ultrathin films: Effects of Ag(111) substrate

Akiyama, T; Tsuboi, Y; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 511 89 - 92 2019年04月01日

ISSN: 0022-0248

DOI
Ba2ScHO3: H- onductive Layered Oxyhydride with H- Site Selectivity

Takeiri, F; Watanabe, A; Kuwabara, A; Nawaz, H; Ayu, NIP; Yonemura, M; Kanno, R; Kobayashi, G

INORGANIC CHEMISTRY 58 ( 7 ) 4431 - 4436 2019年04月01日

ISSN: 0020-1669

DOI
Controlled Reduction of Carboxamides to Alcohols or Amines by Zinc Hydrides

Ong, DY; Yen, ZH; Yoshii, A; Imbernon, JR; Takita, R; Chiba, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 15 ) 4992 - 4997 2019年04月01日

ISSN: 1433-7851

DOI
Coordination-Induced Spin-State Switching of an Aminyl-Radical-Bridged Nickel(II) Porphyrin Dimer between Doublet and Sextet States

Shimizu, D; De, YK; Ikeue, T; Osuka, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 15 ) 5023 - 5027 2019年04月01日

ISSN: 1433-7851

DOI
Dependence of substrate work function on the energy-level alignment at organic-organic heterojunction interface

Foggiatto, AL; Suga, H; Takeichi, Y; Ono, K; Takahashi, Y; Kutsukake, K; Ueba, T; Kera, S; Sakurai, … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年04月01日

ISSN: 0021-4922

DOI
Hydration of Polycationic [5]Radialene with Quintuple 1,3-Dithiol-2-ylidenes Leads to a New Class of π-Extended Tetrathiafulvalene Scaffold

Ueda, M; Tahara, A; Hasegawa, M; Shirahata, T; Mazaki, Y; Misaki, Y

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 19 ) 4984 - 4991 2019年04月01日

ISSN: 0947-6539

DOI
Low-Lying Excited States of hqxcH and Zn-hqxc Complex: Toward Understanding Intramolecular Proton Transfer Emission

Ebina, M; Kondo, Y; Iwasa, T; Taketsugu, T

INORGANIC CHEMISTRY 58 ( 7 ) 4686 - 4698 2019年04月01日

ISSN: 0020-1669

DOI
Search for new nitrogen-doped carbon materials by compressing molecular crystals

Yamane, I; Yanase, T; Nagahama, T; Shimada, T

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年04月01日

ISSN: 0021-4922

DOI
Single crystal growth, structural analysis and electronic band structure of a nitrogen-containing polyacene Benzo[i]benzo[6′,7′]quinoxalino[2′,3′:9,10] phenanthro[4,5-abc]phenazine

Sakai, N; Tamura, T; Yanase, T; Nagahama, T; Shimada, T

JAPANESE JOURNAL OF APPLIED PHYSICS 58 2019年04月01日

ISSN: 0021-4922

DOI
Acid-Base Catalytic Effects on Reduction of Methanol in Hot Water

Inaba, S

CATALYSTS 9 ( 4 ) 2019年04月

DOI
Collective Transformation of Water between Hyperactive Antifreeze Proteins: RiAFPs

Mochizuki, K; Matsumoto, M

CRYSTALS 9 ( 4 ) 2019年04月

ISSN: 2073-4352

DOI
Critical absorbed dose of resinous adhesive material towards non-destructive chemical-state analysis using soft X-rays

Yamane, H; Oura, M; Sawada, K; Ebisu, T; Ishikawa, T; Yamazaki, N; Hasegawa, K; Takagi, K; Hatsui, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 232 11 - 15 2019年04月

ISSN: 0368-2048

DOI
Development of Divide-and-Conquer Density-Functional Tight-Binding Method for Theoretical Research on Li-Ion Battery

Chou, CP; Sakti, AW; Nishimura, Y; Nakai, H

CHEMICAL RECORD 19 ( 4 ) 746 - 757 2019年04月

ISSN: 1527-8999

DOI
Direct observation of pseudo-gap electronic structure in the Heusler-type Fe2VAl thin film

Miyazaki, H; Tateishi, S; Matsunami, M; Soda, K; Yamada, S; Hamaya, K; Nishino, Y

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 232 1 - 4 2019年04月

ISSN: 0368-2048

DOI
Generation of the heterogeneity of extracellular vesicles by membrane organization and sorting machineries

Harada, Y; Suzuki, T; Fukushige, T; Kizuka, Y; Yagi, H; Yamamoto, M; Kondo, K; Inoue, H; Kato, K; T … 全著者表示

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1863 ( 4 ) 681 - 691 2019年04月

ISSN: 0304-4165

DOI
Resonant-Auger-state-selected dissociation dynamics and dissociation limits of N 1s→π* core excited N2 molecules studied using a two-dimensional Auger-electron-photoion coincidence method

Iwayama, H; Harries, JR

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 232 40 - 44 2019年04月

ISSN: 0368-2048

DOI
Role of the particle size of Fe nanoparticles in the capacity of FeF3 batteries

Takami, T; Matsui, K; Senoh, H; Shikano, M; Sakaebe, H; Fukunaga, T

AIP ADVANCES 9 ( 4 ) 2019年04月

DOI
Self-Assembled Polymeric Pyridine Copper Catalysts for Huisgen Cycloaddition with Alkynes and Acetylene Gas: Application in Synthesis of Tazobactam

Hu, H; Ohno, A; Sato, T; Mase, T; Uozumi, Y; Yamada, YMA

ORGANIC PROCESS RESEARCH & DEVELOPMENT 23 ( 4 ) 493 - 498 2019年04月

ISSN: 1083-6160

DOI
Special Issue: Next Generation Li and Na Rechargeable Batteries

Ehara, M; Yamashita, K

CHEMICAL RECORD 19 ( 4 ) 689 - 689 2019年04月

ISSN: 1527-8999

DOI
Strain-Promoted Double Azide Addition to Octadehydrodibenzo[12]annulene Derivatives

Fukushima, S; Ashizawa, M; Kawauchi, S; Michinobu, T

HELVETICA CHIMICA ACTA 102 ( 4 ) 2019年04月

ISSN: 0018-019X

DOI
Structures of Stoichiometric Sodium Oxide Cluster Cations Studied by Ion Mobility Mass Spectrometry

Nakano, M; Ishimura, Y; Hotta, R; Hebiguchi, D; Nagata, T; Misaizu, F

CHINESE JOURNAL OF CHEMICAL PHYSICS 32 ( 2 ) 193 - 199 2019年04月

ISSN: 1674-0068

DOI
First Principles Calculations Toward Understanding SERS of 2,2-Bipyridyl Adsorbed on Au, Ag, and Au-Ag Nanoalloy

Takenaka, M; Hashimoto, Y; Iwasa, T; Taketsugu, T; Seniutinas, G; Balcytis, A; Juodkazis, S; Nishij … 全著者表示

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 8 ) 925 - 932 2019年03月30日

ISSN: 0192-8651

DOI
Ab initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term

Kawashima, Y; Ishimura, K; Shiga, M

JOURNAL OF CHEMICAL PHYSICS 150 ( 12 ) 2019年03月28日

ISSN: 0021-9606

DOI
Effect of Cu intercalation and pressure on excitonic interaction in 1T-TiSe2

Kitou, S; Nakano, A; Kobayashi, S; Sugawara, K; Katayama, N; Maejima, N; Machida, A; Watanuki, T; I … 全著者表示

PHYSICAL REVIEW B 99 ( 10 ) 2019年03月28日

ISSN: 2469-9950

DOI
Solving the Schrodinger equation of hydrogen molecules with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of the Σ symmetry

Kurokawa, YI; Nakashima, H; Nakatsuji, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 12 ) 6327 - 6340 2019年03月28日

ISSN: 1463-9076

DOI
Facile Solvent-Free Synthesis of Thin Iron Porphyrin COFs on Carbon Cloth Electrodes for CO2 Reduction

Cheung, PL; Lee, SK; Kubiak, CP

CHEMISTRY OF MATERIALS 31 ( 6 ) 1908 - 1919 2019年03月26日

ISSN: 0897-4756

DOI
A Tetrasilicon Analogue of Bicyclo[1.1.0]but-1(3)-ene Containing a Si=Si Double Bond with an Inverted Geometry

Iwamoto, T; Abe, T; Sugimoto, K; Hashizume, D; Matsui, H; Kishi, R; Nakano, M; Ishida, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 13 ) 4371 - 4375 2019年03月22日

ISSN: 1433-7851

DOI
Anharmonicity in elastic constants and extended x-ray-absorption fine structure cumulants

Yokoyama, T; Chaveanghong, S

PHYSICAL REVIEW MATERIALS 3 ( 3 ) 2019年03月21日

ISSN: 2475-9953

DOI
Dissociation Process of a MDM2/p53 Complex Investigated by Parallel Cascade Selection Molecular Dynamics and the Markov State Model

Tran, DP; Kitao, A

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 11 ) 2469 - 2478 2019年03月21日

ISSN: 1520-6106

DOI
Pressure-induced local symmetry breaking upon liquid-liquid transition of GeI4 and SnI4

Fuchizaki, K; Sakagami, T; Iwayama, H

JOURNAL OF CHEMICAL PHYSICS 150 ( 11 ) 2019年03月21日

ISSN: 0021-9606

DOI
Single-component molecular conductor [Pt(dmdt)2]-a three-dimensional ambient-pressure molecular Dirac electron system

Zhou, B; Ishibashi, S; Ishii, T; Sekine, T; Takehara, R; Miyagawa, K; Kanoda, K; Nishibori, E; Koba … 全著者表示

CHEMICAL COMMUNICATIONS 55 ( 23 ) 3327 - 3330 2019年03月21日

ISSN: 1359-7345

DOI
Widely Dispersed Intermolecular Valence Bands of Epitaxially Grown Perfluoropentacene on Pentacene Single Crystals

Nakayama, Y; Tsuruta, R; Moriya, N; Hikasa, M; Meissner, M; Yamaguchi, T; Mizuno, Y; Suzuki, T; Kog … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10 ( 6 ) 1312 - 1318 2019年03月21日

ISSN: 1948-7185

DOI
S=1/2 ferromagnetic Heisenberg chain in a verdazyl-based complex

Uemoto, N; Kono, Y; Kittaka, S; Sakakibara, T; Yajima, T; Iwasaki, Y; Miyamoto, S; Hosokoshi, Y; Ya … 全著者表示

PHYSICAL REVIEW B 99 ( 9 ) 2019年03月15日

ISSN: 2469-9950

DOI
Absolute surface energies of semipolar planes of AlN during metalorganic vapor phase epitaxy growth

Seta, Y; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 510 7 - 12 2019年03月15日

ISSN: 0022-0248

DOI
Spontaneous Localization of Particles in Giant Vesicles Owing to Depletion Force

Natsume, Y; Noguchi, E; Kurihara, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 88 ( 3 ) 2019年03月15日

ISSN: 0031-9015

DOI
Catalytic Regio- and Enantioselective Proton Migration from Skipped Enynes to Allenes

Wei, XF; Wakaki, T; Itoh, T; Li, HL; Yoshimura, T; Miyazaki, A; Oisaki, K; Hatanaka, M; Shimizu, Y; … 全著者表示

CHEM 5 ( 3 ) 585 - 599 2019年03月14日

ISSN: 2451-9294

DOI
High Turnover Frequency CO-NO Reactions over Rh Overlayer Catalysts: A Comparative Study Using Rh Nanoparticles

Yoshida, H; Koizumi, K; Boero, M; Ehara, M; Misumi, S; Matsumoto, A; Kuzuhara, Y; Sato, T; Ohyama, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 10 ) 6080 - 6089 2019年03月14日

ISSN: 1932-7447

DOI
Structures of Rhodium Oxide Cluster Cations Rh7Om+ (m=4-7, 12, 14) Revealed by Infrared Multiple Photon Dissociation Spectroscopy

Mafune, F; Koyama, K; Nagata, T; Kudoh, S; Yasuike, T; Miyajima, K; Huitema, DMM; Chernyy, V; Bakke … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 10 ) 5964 - 5971 2019年03月14日

ISSN: 1932-7447

DOI
Theory of coherent two-dimensional vibrational spectroscopy

Jansen, TL; Saito, S; Jeon, J; Cho, M

JOURNAL OF CHEMICAL PHYSICS 150 ( 10 ) 2019年03月14日

ISSN: 0021-9606

DOI
GlcNAc6ST3 is a keratan sulfate sulfotransferase for the protein-tyrosine phosphatase PTPRZ in the adult brain

Narentuya; Takeda-Uchimura, Y; Foyez, T; Zhang, Z; Akama, TO; Yagi, H; Kato, K; Komatsu, Y; Kadomat … 全著者表示

SCIENTIFIC REPORTS 9 2019年03月13日

ISSN: 2045-2322

DOI
Near-infrared absorption by intramolecular charge-transfer transition in 5,10,15,20-tetra(N-carbazolyl)porphyrin through protonation

Kawano, S; Kawada, S; Kitagawa, Y; Teramoto, R; Nakano, M; Tanaka, K

CHEMICAL COMMUNICATIONS 55 ( 20 ) 2992 - 2995 2019年03月11日

ISSN: 1359-7345

DOI
Absence of delayed fluorescence and triplet-triplet annihilation in organic light emitting diodes with spatially orthogonal bianthracenes

Pu, YJ; Satake, R; Koyama, Y; Otomo, T; Hayashi, R; Haruta, N; Katagiri, H; Otsuki, D; Kim, D; Sato … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY C 7 ( 9 ) 2541 - 2547 2019年03月07日

ISSN: 2050-7526

DOI
Heat-Resistant Properties in the Phosphorescence of trans-Bis[β-(iminomethyl)aryloxy]platinum(II) Complexes: Effect of Aromaticity on d-π Conjugation Platforms

Inoue, R; Naito, M; Ehara, M; Naota, T

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 14 ) 3650 - 3661 2019年03月07日

ISSN: 0947-6539

DOI
Light-Driven Proton, Sodium Ion, and Chloride Ion Transfer Mechanisms in Rhodopsins: SAC-CI Study

Miyahara, T; Nakatsuji, H

JOURNAL OF PHYSICAL CHEMISTRY A 123 ( 9 ) 1766 - 1784 2019年03月07日

ISSN: 1089-5639

DOI
Stereogenic cyclic oligonaphthalenes displaying ring size-dependent handedness of circularly polarized luminescence (CPL)

Nojima, Y; Hasegawa, M; Hara, N; Imai, Y; Mazaki, Y

CHEMICAL COMMUNICATIONS 55 ( 19 ) 2749 - 2752 2019年03月07日

ISSN: 1359-7345

DOI
Tailoring widely used ammonia synthesis catalysts for H and N poisoning resistance

Ghuman, KK; Tozaki, K; Sadakiyo, M; Kitano, S; Oyabe, T; Yamauchi, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 9 ) 5117 - 5122 2019年03月07日

ISSN: 1463-9076

DOI
Structural Analysis of a Trimer of β2-Microgloblin Fragment by Molecular Dynamics Simulations

Nishikawa, N; Sakae, Y; Gouda, T; Tsujimura, Y; Okamoto, Y

BIOPHYSICAL JOURNAL 116 ( 5 ) 781 - 790 2019年03月05日

ISSN: 0006-3495

DOI
Topologically disordered mesophase at the topmost surface layer of crystalline ice between 120 and 200 K

Sugimoto, T; Otsuki, Y; Ishiyama, T; Morita, A; Watanabe, K; Matsumoto, Y

PHYSICAL REVIEW B 99 ( 12 ) 2019年03月05日

ISSN: 2469-9950

DOI
pn-type substrate dependence of CsK2Sb photocathode performance

Guo, L; Katoh, M

PHYSICAL REVIEW ACCELERATORS AND BEAMS 22 ( 3 ) 2019年03月01日

ISSN: 2469-9888

DOI
A Phosphorus Analogue of p-Quinodimethane with a Planar P4 Ring: A Metal-Free Diphosphorus Source

Rottschäfer, D; Neumann, B; Stammler, HG; Kishi, R; Nakano, M; Ghadwal, RS

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 13 ) 3244 - 3247 2019年03月01日

ISSN: 0947-6539

DOI
Site-Selective Supramolecular Complexation Activates Catalytic Ethane Oxidation by a Nitrido-Bridged Iron Porphyrinoid Dimer

Mihara, N; Yamada, Y; Takaya, H; Kitagawa, Y; Igawa, K; Tomooka, K; Fujii, H; Tanaka, K

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 13 ) 3369 - 3375 2019年03月01日

ISSN: 0947-6539

DOI
Stable Singlet Biradicals of Rare-Earth-Fused Diporphyrin-Triple-Decker Complexes with Low Energy Gaps and Multi-Redox States

Lee, S; Yamashita, K; Sakata, N; Hirao, Y; Ogawa, K; Ogawa, T

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 13 ) 3240 - 3243 2019年03月01日

ISSN: 0947-6539

DOI
Active Control of Chiral Optical near Fields on a Single Metal Nanorod

Hashiyada, S; Narushima, T; Okamoto, H

ACS PHOTONICS 6 ( 3 ) 677 - + 2019年03月

ISSN: 2330-4022

DOI
Bay-Region-Selective Annulative -Extension (APEX) of Perylene Diimides with Arynes

Nakamuro, T; Kumazawa, K; Ito, H; Itami, K

SYNLETT 30 ( 4 ) 423 - 428 2019年03月

ISSN: 0936-5214

DOI
Demonstration of tomographic imaging of isotope distribution by nuclear resonance fluorescence

Zen, H; Ohgaki, H; Taira, Y; Hayakawa, T; Shizuma, T; Daito, I; Yamazaki, J; Kii, T; Toyokawa, H; K … 全著者表示

AIP ADVANCES 9 ( 3 ) 2019年03月

DOI
Development of Large-Scale Excited-State Calculations Based on the Divide-and-Conquer Time-Dependent Density Functional Tight-Binding Method

Komoto, N; Yoshikawa, T; Ono, J; Nishimura, Y; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15 ( 3 ) 1719 - 1727 2019年03月

ISSN: 1549-9618

DOI
Difference in formation mechanism of inclusion complex between configuration isomers of gallate-type catechin and -cyclodextrin

Ikeda, H; Ohata, T; Yukawa, M; Fujisawa, M; Aki, H

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY 135 ( 5 ) 2789 - 2795 2019年03月

ISSN: 1388-6150

DOI
Energy transfer processes from I- centers to In+ centers at room temperature in co-doped NaCl:I-,In+ crystals

Kawai, T; Iguchi, A

JOURNAL OF LUMINESCENCE 207 58 - 62 2019年03月

ISSN: 0022-2313

DOI
Further characterization of carbonaceous materials in Hayabusa-returned samples to understand their origin

Uesugi, M; Ito, M; Yabuta, H; Naraoka, H; Kitajima, F; Takano, Y; Mita, H; Kebukawa, Y; Nakato, A; … 全著者表示

METEORITICS & PLANETARY SCIENCE 54 ( 3 ) 638 - 666 2019年03月

ISSN: 1086-9379

DOI
Geometry optimizations and evaluation of electronic properties of prism carbon tubes by density functional theory using plane waves

Kodaya, Y; Oki, T; Yamakado, H; Tokoyama, H; Ohno, K

CHEMICAL PHYSICS LETTERS 718 32 - 37 2019年03月

ISSN: 0009-2614

DOI
High-temperature Spin Crossover of a Solvent-Free Iron(II) Complex with the Linear Hexadentate Ligand [Fe(L2-3-2Ph)](AsF6)2 (L2-3-2Ph = bis[N-(1-Phenyl-1H-1,2,3-triazol-4-yl)methylidene-2-aminoethyl]-1, 3-propanediamine)

Hagiwara, H

MAGNETOCHEMISTRY 5 ( 1 ) 2019年03月

DOI
Lateral Alternating Donor/Acceptor Multilayered Junction for Organic Solar Cells

Kikuchi, M; Hirota, M; Kunawong, T; Shinmura, Y; Abe, M; Sadamitsu, Y; Moh, AM; Izawa, S; Izaki, M; … 全著者表示

ACS APPLIED ENERGY MATERIALS 2 ( 3 ) 2087 - 2093 2019年03月

ISSN: 2574-0962

DOI
Magnetic and Electrochemical Properties of Lantern-Type Dinuclear Ru(II,III) Complexes with Axial Chloride Ions or Water Molecules

Handa, M; Yairi, H; Yano, N; Mitsumi, M; Sakiyama, H; Kitashima, M; Inoue, K; Mitsuhashi, R; Mikuri … 全著者表示

MAGNETOCHEMISTRY 5 ( 1 ) 2019年03月

DOI
Molecular parameters responsible for thermally activated transport in doped organic semiconductors

Schwarze, M; Gaul, C; ScholZ, R; Bussolotti, F; Hofacker, A; Schellhammer, KS; Nell, B; Naab, BD; B … 全著者表示

NATURE MATERIALS 18 ( 3 ) 242 - + 2019年03月

ISSN: 1476-1122

DOI
Stepwise Synthesis, Hydrogen-Bonded Supramolecular Structure, and Magnetic Property of a Co-Mn Heterodinuclear Complex

Mitsuhashi, R; Ueda, T; Mikuriya, M

MAGNETOCHEMISTRY 5 ( 1 ) 2019年03月

DOI
Synthesis, Crystal Structures, and Magnetic Properties of Mixed-Valent Tetranuclear Complexes with Y-Shaped Mn2IIMn2III Core

Mikuriya, M; Kurahashi, S; Tomohara, S; Koyama, Y; Yoshioka, D; Mitsuhashi, R; Sakiyama, H

MAGNETOCHEMISTRY 5 ( 1 ) 2019年03月

DOI
Synthesis, photodynamic activities, and cytotoxicity of new water-soluble cationic gallium(III) and zinc(II) phthalocyanines

Fujishiro, R; Sonoyama, H; Ide, Y; Fujimura, T; Sasai, R; Nagai, A; Mori, S; Kaufman, NEM; Zhou, ZH … 全著者表示

JOURNAL OF INORGANIC BIOCHEMISTRY 192 7 - 16 2019年03月

ISSN: 0162-0134

DOI
Theoretical Study on Hydrogen-Tritium Exchange Reactions between Several Organic and HTO Molecules: A Multicomponent QM Study

Ishibashi, R; Tachikawa, M; Udagawa, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 92 ( 3 ) 592 - 599 2019年03月

ISSN: 0009-2673

DOI
Dependence of Absorption and Emission Spectra on Polymorphs of Gold(I) Isocyanide Complexes: Theoretical Study with QM/MM Approach

Aono, S; Seki, T; Ito, H; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 8 ) 4773 - 4794 2019年02月28日

ISSN: 1932-7447

DOI
Star-shaped magnesium tetraethynylporphyrin bearing four peripheral electron-accepting diketopyrrolopyrrole functionalities for organic solar cells

Wang, H; Yue, QH; Nakagawa, T; Zieleniewska, A; Okada, H; Ogumi, K; Ueno, H; Guldi, D; Zhu, XZ; Mat … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY A 7 ( 8 ) 4072 - 4083 2019年02月28日

ISSN: 2050-7488

DOI
Synthesis and structural features of thiophene-fused analogues of warped nanographene and quintuple helicene

Lin, HA; Kato, K; Segawa, Y; Scott, LT; Itami, K

CHEMICAL SCIENCE 10 ( 8 ) 2326 - 2330 2019年02月28日

ISSN: 2041-6520

DOI
Copper-catalyzed arene amination in pure aqueous ammonia

Takagi, M; Watanabe, A; Murata, S; Takita, R

ORGANIC & BIOMOLECULAR CHEMISTRY 17 ( 7 ) 1791 - 1795 2019年02月21日

ISSN: 1477-0520

DOI
NIR Emission and Acid-Induced Intramolecular Electron Transfer Derived from a SOMO-HOMO Converted Non-Aufbau Electronic Structure

Tanushi, A; Kimura, S; Kusamoto, T; Tominaga, M; Kitagawa, Y; Nakano, M; Nishihara, H

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 7 ) 4417 - 4423 2019年02月21日

ISSN: 1932-7447

DOI
Quantum Chemical Study on the High-Pressure Effect for [4+4] Retrocycloaddition of Anthracene Cyclophane Photodimer

Fukuda, R; Nakatani, K

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 7 ) 4493 - 4501 2019年02月21日

ISSN: 1932-7447

DOI
Ring-Puckering Motion of Azetidinium Cations in a Metal-Organic Perovskite [(CH2)3NH2][M(HCOO)3] (M = Zn, Mg)-A Thermal and 1H NMR Relaxation Study

Asaji, T; Ito, Y; Fujimori, H; Zhou, BA

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 7 ) 4291 - 4298 2019年02月21日

ISSN: 1932-7447

DOI
Control of quantum dynamics of electron transfer in molecular loop structures: Spontaneous breaking of chiral symmetry under strong decoherence

Phuc, NT; Ishizaki, A

PHYSICAL REVIEW B 99 ( 6 ) 2019年02月20日

ISSN: 2469-9950

DOI
Observation of Chiral Fermions with a Large Topological Charge and Associated Fermi-Arc Surface States in CoSi

Takane, D; Wang, ZW; Souma, S; Nakayama, K; Nakamura, T; Oinuma, H; Nakata, Y; Iwasawa, H; Cacho, C … 全著者表示

PHYSICAL REVIEW LETTERS 122 ( 7 ) 2019年02月20日

ISSN: 0031-9007

DOI
SDS-induced oligomerization of Lys49-phospholipase A2 from snake venom

Matsui, T; Kamata, S; Ishii, K; Maruno, T; Ghanem, N; Uchiyama, S; Kato, K; Suzuki, A; Oda-Ueda, N; … 全著者表示

SCIENTIFIC REPORTS 9 2019年02月20日

ISSN: 2045-2322

DOI
Self-Assembly Processes of Octahedron-Shaped Pd6L4 Cages

Komine, S; Takahashi, S; Kojima, T; Sato, H; Hiraoka, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 ( 7 ) 3178 - 3186 2019年02月20日

ISSN: 0002-7863

DOI
Ab initio surface hopping molecular dynamics on the dissociative recombination of CH3+

Taketsugu, T; Kobayashi, Y

COMPUTATIONAL AND THEORETICAL CHEMISTRY 1150 1 - 9 2019年02月15日

ISSN: 2210-271X

DOI
How boron is adsorbed by D-glucamine: A density functional theory study

Ide, T; Hirayama, Y

COMPUTATIONAL AND THEORETICAL CHEMISTRY 1150 85 - 90 2019年02月15日

ISSN: 2210-271X

DOI
Processive Chitinase is Burnt-Bridge Brownian Motor Operated by Fast Catalysis after Peeling Rail from Crystalline Chitin

Nakamura, A; Okazaki, K; Furuta, T; Sakurai, M; Iino, R

BIOPHYSICAL JOURNAL 116 ( 3 ) 486A - 486A 2019年02月15日

ISSN: 0006-3495

DOI
Reduced Knoevenagel Reaction of Acetetracenylene-1,2-dione with Acceptor Units for Luminescent Tetracene Derivatives

Matsuo, Y; Yu, CG; Nakagawa, T; Okada, H; Ueno, H; Sun, TG; Zhong, YW

JOURNAL OF ORGANIC CHEMISTRY 84 ( 4 ) 2339 - 2345 2019年02月15日

ISSN: 0022-3263

DOI
Electronic States of Acetic Acid in a Binary Mixture of Acetic Acid and 1-Methylimidazole Depend on the Environment

Yoshimura, N; Takahashi, O; Oura, M; Horikawa, Y

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 6 ) 1332 - 1339 2019年02月14日

ISSN: 1520-6106

DOI
Tuning the Dissociative Action of Cationic Rh Clusters Toward NO by Substituting a Single Ta Atom

Yamaguchi, M; Kudoh, S; Miyajima, K; Lushchikova, OV; Bakker, JM; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 6 ) 3476 - 3481 2019年02月14日

ISSN: 1932-7447

DOI
Visible photodissociation of the CO2 dimer cation: fast and slow dissociation dynamics in the excited state

Nakashima, Y; Okutsu, K; Fujimoto, K; Ito, Y; Kanno, M; Nakano, M; Ohshimo, K; Kono, H; Misaizu, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21 ( 6 ) 3083 - 3091 2019年02月14日

ISSN: 1463-9076

DOI
Honeycomb lattice type charge density wave associated with interlayer Cu ions ordering in 1T-CuxTiSe2

Kitou, S; Kobayashi, S; Kaneko, T; Katayama, N; Yunoki, S; Nakamura, T; Sawa, H

PHYSICAL REVIEW B 99 ( 8 ) 2019年02月11日

ISSN: 2469-9950

DOI
Conformational Excitation and Nonequilibrium Transition Facilitate Enzymatic Reactions: Application to Pin1 Peptidyl-Prolyl Isomerase

Mori, T; Saito, S

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10 ( 3 ) 474 - 480 2019年02月07日

ISSN: 1948-7185

DOI
Quadruply N-methylated octaphyrin: a helical macrocycle exhibiting chiroptical properties and dynamic conformation changes correlated with helical and inner N-methyl orientations

Naito, W; Urakawa, K; Sato, R; Shigeta, Y; Yasuda, N; Maeda, H

ORGANIC & BIOMOLECULAR CHEMISTRY 17 ( 5 ) 1163 - 1168 2019年02月07日

ISSN: 1477-0520

DOI
Thermodynamic picture of vitrification of water through complex specific heat and entropy: A journey through "no man's land"

Saito, S; Bagchi, B

JOURNAL OF CHEMICAL PHYSICS 150 ( 5 ) 2019年02月07日

ISSN: 0021-9606

DOI
Assignment of the Absolute-Handedness Chirality of Single-Walled Carbon Nanotubes Using Organic Molecule Supramolecular Structures

Abd El-Mageed, AIA; Handayani, M; Chen, ZJ; Inose, T; Ogawa, T

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 8 ) 1941 - 1948 2019年02月06日

ISSN: 0947-6539

DOI
Diffractive Imaging of C60 Structural Deformations Induced by Intense Femtosecond Midinfrared Laser Fields

Fuest, H; Lai, YH; Blaga, CI; Suzuki, K; Xu, JL; Rupp, P; Li, H; Wnuk, P; Agostini, P; Yamazaki, K; … 全著者表示

PHYSICAL REVIEW LETTERS 122 ( 5 ) 2019年02月06日

ISSN: 0031-9007

DOI
Reusable and highly enantioselective water-soluble Ru(II)-Amm-Pheox catalyst for intramolecular cyclopropanation of diazo compounds

Mandour, HSA; Nakagawa, Y; Tone, M; Inoue, H; Otog, N; Fujisawa, I; Chanthamath, S; Iwasa, S

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 15 357 - 363 2019年02月06日

ISSN: 1860-5397

DOI
Modified approach for calculating individual energies of polar and semipolar surfaces of group-III nitrides

Akiyama, T; Seta, Y; Nakamura, K; Ito, T

PHYSICAL REVIEW MATERIALS 3 ( 2 ) 2019年02月05日

ISSN: 2475-9953

DOI
Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates

Nakano, M; Okada, K; Nagami, T; Tonami, T; Kishi, R; Kitagawa, Y

MOLECULES 24 ( 3 ) 2019年02月01日

ISSN: 1420-3049

DOI
Significant reduction in the thermal conductivity of Si-substituted Fe2 VA1 epilayers

Kudo, K; Yamada, S; Chikada, J; Shimanuki, Y; Ishibe, T; Abo, S; Miyazaki, H; Nishino, Y; Nakamura, … 全著者表示

PHYSICAL REVIEW B 99 ( 5 ) 2019年02月01日

ISSN: 2469-9950

DOI
A study on the transferability of the sigma enlarging bridge function for an accurate evaluation of solvation free energy: The case of homonuclear Lennard-Jones diatomic solute solvated in a Lennard-Jones monatomic solvent

Miyata, T; Yabuki, N

AIP ADVANCES 9 ( 2 ) 2019年02月

DOI
Catalysis of Cu Cluster for NO Reduction by CO: Theoretical Insight into the Reaction Mechanism

Takagi, N; Ishimura, K; Miura, H; Shishido, T; Fukuda, R; Ehara, M; Sakaki, S

ACS OMEGA 4 ( 2 ) 2596 - 2609 2019年02月

ISSN: 2470-1343

DOI
Computational Study on Homogeneous Melting of Benzene Phase I

Mochizuki, K

CRYSTALS 9 ( 2 ) 2019年02月

ISSN: 2073-4352

DOI
Decision analysis of up-front autologous hematopoietic stem cell transplantation in patients with peripheral T-cell lymphoma

Fuji, S; Kurosawa, S; Inamoto, Y; Murata, T; Fuji, T; Kim, SW; Fukuda, T

BONE MARROW TRANSPLANTATION 54 ( 2 ) 304 - 307 2019年02月

ISSN: 0268-3369

DOI
Dispersion Interaction and Crystal Packing Realize an Ultralong C-C Single Bond: A Theoretical Study on Dispirobis(10-methylacridan) Derivatives

Kuroda, Y; Kobayashi, M; Taketsugu, T

CHEMISTRY LETTERS 48 ( 2 ) 137 - 139 2019年02月

ISSN: 0366-7022

DOI
Effective synthesis of fluorine-containing phenanthrene bearing hydroxyl group using Mallory reaction and its application for fluorinated polyesters

Kataoka, S; Fukumoto, H; Kawasaki-Takasuka, T; Yamazaki, T; Nishimura, K; Agou, T; Kubota, T

JOURNAL OF FLUORINE CHEMISTRY 218 84 - 89 2019年02月

ISSN: 0022-1139

DOI
Improvement of Reproducibility of Magnetic Moment Detected by a SQUID Magnetometer Through Radial Offset Measurement on a YIG Sphere

Matsumoto, N; Dennis, CL; Shull, RD

IEEE TRANSACTIONS ON MAGNETICS 55 ( 2 ) 2019年02月

ISSN: 0018-9464

DOI
Quantitative Distribution of DNA, RNA, Histone and Proteins Other than Histone in Mammalian Cells, Nuclei and a Chromosome at High Resolution Observed by Scanning Transmission Soft X-Ray Microscopy (STXM)

Shinohara, K; Toné, S; Ejima, T; Ohigashi, T; Ito, A

CELLS 8 ( 2 ) 2019年02月

DOI
SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience

Noda, M; Sato, SA; Hirokawa, Y; Uemoto, M; Takeuchi, T; Yamada, S; Yamada, A; Shinohara, Y; Yamaguc … 全著者表示

COMPUTER PHYSICS COMMUNICATIONS 235 356 - 365 2019年02月

ISSN: 0010-4655

DOI
Theoretical Study on Second Hyperpolarizabilities of Intramolecular Pancake-Bonded Diradicaloids with Helical Scaffolds

Takamuku, S; Nakano, M

ACS OMEGA 4 ( 2 ) 2741 - 2749 2019年02月

ISSN: 2470-1343

DOI
Neighboring Protonation Unveils Lewis Acidity in the B3NO2 Heterocycle

Nodap, H; Asada, Y; Shibasaki, M; Kumagai, N

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 ( 4 ) 1546 - 1554 2019年01月30日

ISSN: 0002-7863

DOI
Amide nitrogen pyramidalization changes lactam amide spinning

Otani, Y; Liu, X; Ohno, H; Wang, SY; Zhai, LH; Su, AZ; Kawahata, M; Yamaguchi, K; Ohwada, T

NATURE COMMUNICATIONS 10 2019年01月28日

ISSN: 2041-1723

DOI
Solving the Schrodinger equation with the free-complement chemical-formula theory: Variational study of the ground and excited states of Be and Li atoms

Nakatsujia, H; Nakashima, H

JOURNAL OF CHEMICAL PHYSICS 150 ( 4 ) 2019年01月28日

ISSN: 0021-9606

DOI
Synthesis of carbonyl-bridged dibenzofulvalenes and related compounds by rhodium-catalyzed stitching reaction

Shintani, R; Kishikawa, S; Nakamura, K; Tsuda, T; Nozaki, K

CHEMICAL COMMUNICATIONS 55 ( 8 ) 1072 - 1075 2019年01月25日

ISSN: 1359-7345

DOI
Extended Open-Chain Polyenides as Versatile Delocalized Anion Ligands for Metal Chain Clusters

Yamashita, M; Kawasumi, Y; Tachibana, Y; Horiuchi, S; Yamamoto, K; Murahashi, T

CHEMISTRY-A EUROPEAN JOURNAL 25 ( 5 ) 1212 - 1216 2019年01月24日

ISSN: 0947-6539

DOI
Molecular Dynamics Study of Kinetic Hydrate Inhibitors: The Optimal Inhibitor Size and Effect of Guest Species

Yagasaki, T; Matsumoto, M; Tanaka, H

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 3 ) 1806 - 1816 2019年01月24日

ISSN: 1932-7447

DOI
A Pentacene-based Nanotube Displaying Enriched Electrochemical and Photochemical Activities

Kuroda, K; Yazaki, K; Tanaka, Y; Akita, M; Sakai, H; Hasobe, T; Tkachenko, NV; Yoshizawa, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58 ( 4 ) 1115 - 1119 2019年01月21日

ISSN: 1433-7851

DOI
Soft X-ray Li-K and Si-L2,3 Emission from Crystalline and Amorphous Lithium Silicides in Lithium-Ion Batteries Anode

Lyalin, A; Kuznetsov, VG; Nakayama, A; Abarenkov, IV; Tupitsyn, II; Gabis, IE; Uosaki, K; Taketsugu … 全著者表示

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 166 ( 3 ) A5362 - A5368 2019年01月19日

ISSN: 0013-4651

DOI
Highly Fluorescent Liquid Crystals from Excited-State Intramolecular Proton Transfer Molecules

Zhang, WY; Sakurai, T; Aotani, M; Watanabe, G; Yoshida, H; Padalkar, VS; Tsutsui, Y; Sakamaki, D; O … 全著者表示

ADVANCED OPTICAL MATERIALS 7 ( 2 ) 2019年01月18日

ISSN: 2195-1071

DOI
Dynamic Interface Formation in Magnetic Thin Film Heterostructures

Nakashima, S; Miyamachi, T; Tatetsu, Y; Takahashi, Y; Takagi, Y; Gohda, Y; Yokoyama, T; Komori, F

ADVANCED FUNCTIONAL MATERIALS 29 ( 3 ) 2019年01月17日

ISSN: 1616-301X

DOI
Ab initio surface hopping excited-state molecular dynamics approach on the basis of spin-orbit coupled states: An application to the A-band photodissociation of CH3I

Kamiya, M; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 2 ) 456 - 463 2019年01月15日

ISSN: 0192-8651

DOI
Constraint structure optimization to a specific minimum using ionization energy

Harada, I; Nakayama, A; Hasegawa, J

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 2 ) 507 - 514 2019年01月15日

ISSN: 0192-8651

DOI
Photoelectron spectrum of NO2-: SAC-CI gradient study of vibrational-rotational structures

Miyahara, T; Nakatsuji, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 2 ) 360 - 374 2019年01月15日

ISSN: 0192-8651

DOI
Potential energy surfaces and nonadiabatic transitions in the asymptotic regions of ICN photodissociation to study the interference effects in the F1 and F2 spin-rotation levels of the CN products

Kashimura, T; Ikezaki, T; Ohta, Y; Yabushita, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 2 ) 482 - 499 2019年01月15日

ISSN: 0192-8651

DOI
Theoretical study of lanthanide-based in vivo luminescent probes for detecting hydrogen peroxide

Hatanaka, M; Wakabayashi, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 2 ) 500 - 506 2019年01月15日

ISSN: 0192-8651

DOI
Hydrogen-bonding interactions and magnetic relaxation dynamics in tetracoordinated cobalt(ii) single-ion magnets

Mitsuhashi, R; Hosoya, S; Suzuki, T; Sunatsuki, Y; Sakiyama, H; Mikuriya, M

DALTON TRANSACTIONS 48 ( 2 ) 395 - 399 2019年01月14日

ISSN: 1477-9226

DOI
Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines

Yamakado, R; Ishibashi, H; Motoyoshi, Y; Yasuda, N; Maeda, H

CHEMICAL COMMUNICATIONS 55 ( 3 ) 326 - 329 2019年01月11日

ISSN: 1359-7345

DOI
Nematic-to-columnar mesophase transition by in situ supramolecular polymerization

Yano, K; Itoh, Y; Araoka, F; Watanabe, G; Hikima, T; Aida, T

SCIENCE 363 ( 6423 ) 161 - 165 2019年01月11日

ISSN: 0036-8075

DOI
A β-Diketiminato-Based Pincer-Type Nickel(II) Complex: Synthesis and Catalytic Performance in the Cross-Coupling of Aryl Fluorides with Aryl Grignard Reagents

Kurisu, N; Asano, E; Hatayama, Y; Kurihara, Y; Hashimoto, T; Funatsu, K; Ueda, K; Yamaguchi, Y

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 1 ) 126 - 133 2019年01月10日

ISSN: 1434-1948

DOI
Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13

Iwasa, T; Sato, T; Takagi, M; Gao, M; Lyalin, A; Kobayashi, M; Shimizu, K; Maeda, S; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY A 123 ( 1 ) 210 - 217 2019年01月10日

ISSN: 1089-5639

DOI
Effects of a Hydrophilic/Hydrophobic Interface on Amyloid-β Peptides Studied by Molecular Dynamics Simulations and NMR Experiments

Itoh, SG; Yagi-Utsumi, M; Kato, K; Okumura, H

JOURNAL OF PHYSICAL CHEMISTRY B 123 ( 1 ) 160 - 169 2019年01月10日

ISSN: 1520-6106

DOI
Operando Observation of Sulfur Species Poisoning Polymer Electrolyte Fuel Cell Studied by Near Ambient Pressure Hard X-ray Photoelectron Spectroscopy

Yu, LW; Takagi, Y; Nakamura, T; Sakata, T; Uruga, T; Tada, M; Iwasawa, Y; Masaoka, S; Yokoyama, T

JOURNAL OF PHYSICAL CHEMISTRY C 123 ( 1 ) 603 - 611 2019年01月10日

ISSN: 1932-7447

DOI
Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide perovskite solar cell semiconductor

Varadwaj, PR; Varadwaj, A; Marques, HM; Yamashita, K

SCIENTIFIC REPORTS 9 2019年01月10日

ISSN: 2045-2322

DOI
The immunostimulatory effects and chemical characteristics of heated honey

Ota, M; Ishiuchi, K; Xu, X; Minami, M; Nagachi, Y; Yagi-Utsumi, M; Tabuchi, Y; Cai, SQ; Makino, T

JOURNAL OF ETHNOPHARMACOLOGY 228 11 - 17 2019年01月10日

ISSN: 0378-8741

DOI
Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[a,f]pentalene: Syntheses and Properties of Benzo[a]naphtho[2,1-f]pentalene and Dinaphtho[2,1-a,f]pentalene

Konishi, A; Okada, Y; Kishi, R; Nakano, M; Yasuda, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 141 ( 1 ) 560 - 571 2019年01月09日

ISSN: 0002-7863

DOI
Lewis Acid Catalysis of Nb2O5 for Reactions of Carboxylic Acid Derivatives in the Presence of Basic Inhibitors

Siddiki, SMAH; Rashed, MN; Ali, MA; Toyao, T; Hirunsit, P; Ehara, M; Shimizu, K

CHEMCATCHEM 11 ( 1 ) 383 - 396 2019年01月09日

ISSN: 1867-3880

DOI
Theoretical Investigations for Surface Reconstructions of Submonolayer InAs Grown on GaAs(001)

Ito, T; Akiyama, T; Nakamura, K; Pradipto, AM

PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE 216 ( 1 ) 2019年01月09日

ISSN: 1862-6300

DOI
Magnetic, thermal, and neutron diffraction studies of a coordination polymer: bis(glycolato)cobalt(II)

Nakane, T; Yoneyama, S; Kodama, T; Kikuchi, K; Nakao, A; Ohhara, T; Higashinaka, R; Matsuda, TD; Ao … 全著者表示

DALTON TRANSACTIONS 48 ( 1 ) 333 - 338 2019年01月07日

ISSN: 1477-9226

DOI
Sub-Doppler electronic spectrum of the benzene-D2 complex

Hayashi, M; Ohshima, Y

JOURNAL OF CHEMICAL PHYSICS 150 ( 1 ) 2019年01月07日

ISSN: 0021-9606

DOI
A Kinetics Study of Ligand Substitution Reaction on Dinuclear Platinum Complexes: Stochastic Versus Deterministic Approach

Iioka, T; Takahashi, S; Yoshida, Y; Matsumura, Y; Hiraoka, S; Sato, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 1 ) 281 - 287 2019年01月05日

ISSN: 0192-8651

DOI
A Theoretical Study on the Charge and Discharge States of Na-ion Battery Cathode Material, Na1+xFePO4F

Shinagawa, C; Morikawa, Y; Nishimura, S; Ushiyama, H; Yamada, A; Yamashita, K

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 1 ) 237 - 246 2019年01月05日

ISSN: 0192-8651

DOI
Electronic Processes in NO Dimerization on Ag and Cu Clusters: DFT and MRMP2 Studies

Takagi, N; Nakagaki, M; Ishimura, K; Fukuda, R; Ehara, M; Sakaki, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 1 ) 181 - 190 2019年01月05日

ISSN: 0192-8651

DOI
Photophysical Properties of Fluorescent Imaging Biological Probes of Nucleic Acids: SAC-CI and TD-DFT Study

Shiraogawa, T; Candel, G; Fukuda, R; Ciofini, I; Adamo, C; Okamoto, A; Ehara, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 1 ) 127 - 134 2019年01月05日

ISSN: 0192-8651

DOI
Quantum Master Equation Approach to Singlet Fission Dynamics in Pentacene Linear Aggregate Models: Size Dependences of Excitonic Coupling Effects

Nakano, M; Nagami, T; Tonami, T; Okada, K; Ito, S; Kishi, R; Kitagawa, Y; Kubo, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 1 ) 89 - 104 2019年01月05日

ISSN: 0192-8651

DOI
Theoretical Investigations of Rh-Catalyzed Asymmetric 1,4-Addition to Enones using Planar-Chiral Phosphine-Olefin Ligands

Kawashima, K; Sato, T; Ogasawara, M; Kamikawa, K; Mori, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 40 ( 1 ) 113 - 118 2019年01月05日

ISSN: 0192-8651

DOI
Parts-per-Million-Level Doping Effects in Organic Semiconductor Films and Organic Single Crystals

Hiramoto, M; Kikuchi, M; Izawa, S

ADVANCED MATERIALS 31 ( 1 ) 2019年01月04日

ISSN: 0935-9648

DOI
Enabling adoption of 2D-NMR for the higher order structure assessment of monoclonal antibody therapeutics

Brinson, RG; Marino, JP; Delaglio, F; Arbogast, LW; Evans, RM; Kearsley, A; Gingras, G; Ghasriani, … 全著者表示

MABS 11 ( 1 ) 94 - 105 2019年01月02日

ISSN: 1942-0862

DOI
Synthesis of a protected ribonucleoside phosphoramidite-linked spin label via an alkynyl chain at the 5′ position of uridine

Hatano, A; Terado, N; Kanno, Y; Nakamura, T; Kawai, G

SYNTHETIC COMMUNICATIONS 49 ( 1 ) 136 - 145 2019年01月02日

ISSN: 0039-7911

DOI
Probing the nature of the Co(III) ion in corrins: The reactions of aquacyano-5-seco-cobyrinic acid heptamethyl ester with anionic ligands

Nowakowska, M; Chemaly, SM; Rousseau, AL; Govender, PP; Varadwaj, PR; Varadwaj, A; Yamashita, K; Ma … 全著者表示

INORGANICA CHIMICA ACTA 484 402 - 413 2019年01月01日

ISSN: 0020-1693

DOI
An Ambipolar Superconducting Field-Effect Transistor Operating above Liquid Helium Temperature

Kawaguchi, G; Bardin, AA; Suda, M; Uruichi, M; Yamamoto, HM

ADVANCED MATERIALS 31 ( 2 ) 2019年01月

ISSN: 0935-9648

DOI
Cavity Closure of 2-Hydroxypropyl--Cyclodextrin: Replica Exchange Molecular Dynamics Simulations

Kerdpol, K; Kicuntod, J; Wolschann, P; Mori, S; Rungnim, C; Kunaseth, M; Okumura, H; Kungwan, N; Ru … 全著者表示

POLYMERS 11 ( 1 ) 2019年01月

ISSN: 2073-4360

DOI
Computational chemical analysis of Ru(II)-Pheox-catalyzed highly enantioselective intramolecular cyclopropanation reactions

Nakagawa, Y; Nakayama, N; Goto, H; Fujisawa, I; Chanthamath, S; Shibatomi, K; Iwasa, S

CHIRALITY 31 ( 1 ) 52 - 61 2019年01月

ISSN: 0899-0042

DOI
Doped organic single-crystal photovoltaic cells

Kikuchi, M; Makmuang, S; Izawa, S; Wongravee, K; Hiramoto, M

ORGANIC ELECTRONICS 64 92 - 96 2019年01月

ISSN: 1566-1199

DOI
Giant thermal effect of vibration modes of single-crystalline alanine

Mita, Z; Watanabe, H; Kimura, S

INFRARED PHYSICS & TECHNOLOGY 96 7 - 9 2019年01月

ISSN: 1350-4495

DOI
Mapping nanometer and micrometer-scale structures at graphite surface by photoelectron diffraction

Fujita, Y; Ota, H; Matsushita, T; Muro, T; Senba, Y; Matsui, F

SURFACE AND INTERFACE ANALYSIS 51 ( 1 ) 74 - 78 2019年01月

ISSN: 0142-2421

DOI
Model building of metal oxide surfaces and vibronic coupling density as a reactivity index: Regioselectivity of CO2 adsorption on Ag-loaded Ga2O3

Kojima, Y; Ota, W; Teramura, K; Hosokawa, S; Tanaka, T; Sato, T

CHEMICAL PHYSICS LETTERS 715 239 - 243 2019年01月

ISSN: 0009-2614

DOI
Roles of Closed-and Open-Loop Conformations in Large-Scale Structural Transitions of L-Lactate Dehydrogenase

Suzuki, K; Maeda, S; Morokuma, K

ACS OMEGA 4 ( 1 ) 1178 - 1184 2019年01月

ISSN: 2470-1343

DOI
Circularly polarized two-photon-induced luminescence from plasmonic two-dimensional chiral Au nanostructures

Le, KQ; Okamoto, H

12TH INTERNATIONAL CONFERENCE ON EXCITONIC AND PHOTONIC PROCESSES IN CONDENSED MATTER AND NANO MATERIALS (EXCON 2018) 1220 2019年

ISBN: *****************

ISSN: 1742-6588

DOI
Energy relaxation from STE to In+ centers in NaI:In+ crystals

Watanabe, S; Kawai, T; Mizoguchi, K

12TH INTERNATIONAL CONFERENCE ON EXCITONIC AND PHOTONIC PROCESSES IN CONDENSED MATTER AND NANO MATERIALS (EXCON 2018) 1220 2019年

ISBN: *****************

ISSN: 1742-6588

DOI
Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors

Hasegawa, T; Ashizawa, M; Kawauchi, S; Masunaga, H; Ohta, N; Matsumoto, H

RSC ADVANCES 9 ( 19 ) 10807 - 10813 2019年

DOI
Influence of local strain caused by cycloaddition on the band gap control of functionalized single-walled carbon nanotubes

Maeda, Y; Kuroda, K; Tambo, H; Murakoshi, H; Konno, Y; Yamada, M; Zhao, P; Zhao, X; Nagase, S; Ehar … 全著者表示

RSC ADVANCES 9 ( 25 ) 13998 - 14003 2019年

DOI
Mechanistic insight into the catalytic hydrogenation of nonactivated aldehydes with a Hantzsch ester in the presence of a series of organoboranes: NMR and DFT studies

Hamasaka, G; Tsuji, H; Ehara, M; Uozumi, Y

RSC ADVANCES 9 ( 18 ) 10201 - 10210 2019年

DOI
Optical vortex emitted from free electrons in nature

Katoh, M

LIGHT IN NATURE VII 11099 2019年

ISBN: 978-1-5106-2892-2

ISSN: 0277-786X

DOI
Spectral properties of chiral electromagnetic near fields created by chiral plasmonic nanostructures

Hashiyada, S; Endo, K; Narushima, T; Togawa, Y; Okamoto, H

12TH INTERNATIONAL CONFERENCE ON EXCITONIC AND PHOTONIC PROCESSES IN CONDENSED MATTER AND NANO MATERIALS (EXCON 2018) 1220 2019年

ISBN: *****************

ISSN: 1742-6588

DOI
Temperature dependence of the Kondo resonance peak in photoemission spectra of YbCdCu4

Shiono, H; Ishihara, S; Mimura, K; Sato, H; Schwier, EF; Shimada, K; Taniguchi, M; Ideta, S; Tanaka … 全著者表示

13TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2018) 2054 2019年

ISBN: 978-0-7354-1782-3

ISSN: 0094-243X

DOI
Vacuum-UV-excited Photoluminescence and Scintillation Properties of CsCl Transparent Ceramics and Single Crystal

Kimura, H; Kato, T; Nakauchi, D; Koshimizu, M; Kawaguchi, N; Yanagida, T

SENSORS AND MATERIALS 31 ( 4 ) 1265 - 1271 2019年

ISSN: 0914-4935

DOI
Synthesis and intramolecular electronic interactions of hexaarylbenzene bearing redox-active Cp*(dppe)Fe-CC- termini

Tanaka, Y; Akita, M

JOURNAL OF ORGANOMETALLIC CHEMISTRY 878 30 - 37 2018年12月30日

ISSN: 0022-328X

DOI
Control of near infrared photoluminescence properties of single-walled carbon nanotubes by functionalization with dendrons

Maeda, Y; Konno, Y; Yamada, M; Zhao, P; Zhao, X; Ehara, M; Nagase, S

NANOSCALE 10 ( 48 ) 23012 - 23017 2018年12月28日

ISSN: 2040-3364

DOI
Solving the Schrodinger equation of hydrogen molecule with the free complement local Schrodinger equation method: Potential energy curves of the ground and singly excited singlet and triplet states, Σ, Π, Δ, and φ

Nakashima, H; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 149 ( 24 ) 2018年12月28日

ISSN: 0021-9606

DOI
Superfluorescence, Free-Induction Decay, and Four-Wave Mixing: Propagation of Free-Electron Laser Pulses through a Dense Sample of Helium Ions

Harries, JR; Iwayama, H; Kuma, S; Iizawa, M; Suzuki, N; Azuma, Y; Inoue, I; Owada, S; Togashi, T; T … 全著者表示

PHYSICAL REVIEW LETTERS 121 ( 26 ) 2018年12月28日

ISSN: 0031-9007

DOI
Time-dependent density functional theory for interaction of ultrashort light pulse with thin materials

Yamada, S; Noda, M; Nobusada, K; Yabana, K

PHYSICAL REVIEW B 98 ( 24 ) 2018年12月26日

ISSN: 2469-9950

DOI
[1]Benzothiophene-Fused Chiral Spiro Polycyclic Aromatic Compounds: Optical Resolution, Functionalization, and Optical Properties

Takase, K; Noguchi, K; Nakano, K

JOURNAL OF ORGANIC CHEMISTRY 83 ( 24 ) 15057 - 15065 2018年12月21日

ISSN: 0022-3263

DOI
Ultrafast Nonadiabatic Cascade and Subsequent Photofragmentation of Extreme Ultraviolet Excited Caffeine Molecule

Marciniak, A; Yamazaki, K; Maeda, S; Reduzzi, M; Despré, V; Hervé, M; Meziane, M; Niehaus, TA; Lori … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9 ( 24 ) 6927 - 6933 2018年12月20日

ISSN: 1948-7185

DOI
Single-Nanoparticle Tracking with Angstrom Localization Precision and Microsecond Time Resolution

Ando, J; Nakamura, A; Visootsat, A; Yamamoto, M; Song, CH; Murata, K; Iino, R

BIOPHYSICAL JOURNAL 115 ( 12 ) 2413 - 2427 2018年12月18日

ISSN: 0006-3495

DOI
Triple photochemical domino reaction of a tetrafluorostilbene terminating in double fluorine atom transfer

Murase, T; Matsuda, C; Adachi, K; Sawada, T; Fujita, M

COMMUNICATIONS CHEMISTRY 1 2018年12月17日

ISSN: 2399-3669

DOI
Defect-induced efficient dry reforming of methane over two-dimensional Ni/h-boron nitride nanosheet catalysts

Cao, Y; Maitarad, P; Gao, M; Taketsugu, T; Li, HR; Yan, TT; Shi, LY; Zhang, DS

APPLIED CATALYSIS B-ENVIRONMENTAL 238 51 - 60 2018年12月15日

ISSN: 0926-3373

DOI
Empirical interatomic potential approach to the stability of graphitic structure in BAlN and BGaN alloys

Hasegawa, Y; Akiyama, T; Pradipto, AM; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 504 13 - 16 2018年12月15日

ISSN: 0022-0248

DOI
Synthesis, crystal structure, and ionic conductivity of hydride ion- conducting Ln2LiHO3 ( Ln 1/4 La, Pr, Nd) oxyhydrides

Iwasaki, Y; Matsui, N; Suzuki, K; Hinuma, Y; Yonemura, M; Kobayashi, G; Hirayama, M; Tanaka, I; Kan … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY A 6 ( 46 ) 23457 - 23463 2018年12月14日

ISSN: 2050-7488

DOI
The crucial role of electron transfer from interfacial molecules in the negative potential shift of Au electrode immersed in ionic liquids

Inagaki, T; Takenaka, N; Nagaoka, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 46 ) 29362 - 29373 2018年12月14日

ISSN: 1463-9076

DOI
Function-Integrated Ru Catalyst for Photochemical CO2 Reduction

Lee, SK; Kondo, M; Okamura, M; Enomoto, T; Nakamura, G; Masaoka, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 49 ) 16899 - 16903 2018年12月12日

ISSN: 0002-7863

DOI
The stability of binary Al12X nanoclusters (X = Sc and Ti): superatom or Wade's polyhedron

Tsunoyama, H; Akutsu, M; Koyasu, K; Nakajima, A

JOURNAL OF PHYSICS-CONDENSED MATTER 30 ( 49 ) 2018年12月12日

ISSN: 0953-8984

DOI
Synthesis and Properties of a Highly Congested Tri(9-anthryl)methyl Radical

Nishiuchi, T; Aibara, S; Kubo, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 57 ( 50 ) 16516 - 16519 2018年12月10日

ISSN: 1433-7851

DOI
Bright and two-photon active red fluorescent dyes that selectively move back and forth between the mitochondria and nucleus upon changing the mitochondrial membrane potential

Seki, H; Onishi, S; Asamura, N; Suzuki, Y; Kawamata, J; Kaneno, D; Hadano, S; Watanabe, S; Niko, Y

JOURNAL OF MATERIALS CHEMISTRY B 6 ( 45 ) 2018年12月07日

ISSN: 2050-750X

DOI
Palladium-Catalyzed Double Carbonylative Cyclization of Benzoins: Synthesis and Photoluminescence of Bis-Ester-Bridged Stilbenes

Tani, Y; Ogawa, T

ORGANIC LETTERS 20 ( 23 ) 7442 - 7446 2018年12月07日

ISSN: 1523-7060

DOI
The Stokes-Einstein relation for simple fluids: From hard-sphere to Lennard-Jones via WCA potentials

Ohtori, N; Uchiyama, H; Ishii, Y

JOURNAL OF CHEMICAL PHYSICS 149 ( 21 ) 2018年12月07日

ISSN: 0021-9606

DOI
Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: PdII-Mediated Olefin Migration over [2+2] Cycloaddition

Yonezawa, H; Tashiro, S; Shiraogawa, T; Ehara, M; Shimada, R; Ozawa, T; Shionoya, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 48 ) 16610 - 16614 2018年12月05日

ISSN: 0002-7863

DOI
A Nuclear Resonance Vibrational Spectroscopic Study of Oxy Myoglobins Reconstituted with Chemically Modified Heme Cofactors: Insights into the Fe-O2 Bonding and Internal Dynamics of the Protein

Ohta, T; Shibata, T; Kobayashi, Y; Yoda, Y; Ogura, T; Neya, S; Suzuki, A; Seto, M; Yamamoto, Y

BIOCHEMISTRY 57 ( 48 ) 6649 - 6652 2018年12月04日

ISSN: 0006-2960

DOI
Metal Oxidation States for the O-O Bond Formation in the Water Oxidation Catalyzed by a Pentanuclear Iron Complex

Liao, RZ; Masaoka, S; Siegbahn, PEM

ACS CATALYSIS 8 ( 12 ) 11671 - 11678 2018年12月

ISSN: 2155-5435

DOI
Role of frontal white matter and corpus callosum on social function in schizophrenia

Koshiyama, D; Fukunaga, M; Okada, N; Morita, K; Nemoto, K; Yamashita, F; Yamamori, H; Yasuda, Y; Fu … 全著者表示

SCHIZOPHRENIA RESEARCH 202 180 - 187 2018年12月

ISSN: 0920-9964

DOI
Simultaneous Observation of Kinesin-Driven Microtubule Motility and Binding of Adenosine Triphosphate Using Linear Zero-Mode Waveguides

Fujimoto, K; Morita, Y; Iino, R; Tomishige, M; Shintaku, H; Kotera, H; Yokokawe, R

ACS NANO 12 ( 12 ) 11975 - 11985 2018年12月

ISSN: 1936-0851

DOI
Stable Compositions and Structures of Copper Oxide Cluster Cations CunOm+ (n = 2-8) Studied by Ion Mobility Mass Spectrometry

Latif, MA; Wu, JWJ; Moriyama, R; Nakano, M; Ohshimo, K; Misaizu, F

ACS OMEGA 3 ( 12 ) 18705 - 18713 2018年12月

ISSN: 2470-1343

DOI
Structural Biological Approach to Biopharmaceuticals

Kato, K; Yanaka, S; Yagi, H

YAKUGAKU ZASSHI-JOURNAL OF THE PHARMACEUTICAL SOCIETY OF JAPAN 138 ( 12 ) 1495 - 1502 2018年12月

ISSN: 0031-6903

DOI
Synthesis of dyes with a sulfur-containing heterocyclic donor and a pyrroline-type acceptor

Rachi, Y; Yamakado, R; Okada, S

DYES AND PIGMENTS 159 345 - 351 2018年12月

ISSN: 0143-7208

DOI
Light-dressed states under intense optical near fields

Takeuchi, T; Sako, T; Nobusada, K

PHYSICAL REVIEW A 98 ( 5 ) 2018年11月28日

ISSN: 2469-9926

DOI
Gamma-ray vortices emitted from nonlinear inverse Thomson scattering of a two-wavelength laser beam

Taira, Y; Katoh, M

PHYSICAL REVIEW A 98 ( 5 ) 2018年11月26日

ISSN: 2469-9926

DOI
Site- and spin-dependent coupling at the highly ordered h-BN/Co(0001) interface

Usachov, DY; Tarasov, AV; Bokai, KA; Shevelev, VO; Vilkov, OY; Petukhov, AE; Rybkin, AG; Ogorodniko … 全著者表示

PHYSICAL REVIEW B 98 ( 19 ) 2018年11月26日

ISSN: 2469-9950

DOI
Diradical Character and Second Hyperpolarizability of Alkaline Earth Metal Inverse Sandwich Complexes Involving Cyclopentadienyl and Cyclooctatetraene Ligands (vol 25, pg 2894, 2018)

Takamuku, S; Nakano, M

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 43 ) 4747 - 4747 2018年11月25日

ISSN: 1434-1948

DOI
Comprehensive Understanding of Host- and Guest-Dependent Helix Inversion in Chiral Nematic Liquid Crystals: Experimental and Molecular Dynamics Simulation Study

Yoshida, J; Tamura, S; Hoshino, K; Yuge, H; Sato, H; Yamazaki, A; Yoneda, S; Watanabe, G

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 46 ) 10615 - 10626 2018年11月22日

ISSN: 1520-6106

DOI
Photoelectron Angular Distribution Induced by Weak Intermolecular Interaction in Highly Ordered Aromatic Molecules

Yamane, H; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 46 ) 26472 - 26479 2018年11月22日

ISSN: 1932-7447

DOI
Photoinduced deformation and isomerization of azobenzene liquid-crystalline polymer films at cryogenic temperature

Ogikubo, S; Hashimoto, G; Ube, T; Suda, M; Yamamoto, H; Ikeda, T

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 676 ( 1 ) 30 - 35 2018年11月22日

ISSN: 1542-1406

DOI
Liquid-phase catalysis by single-size palladium nanoclusters supported on strontium titanate: size-specific catalysts for Suzuki-Miyaura coupling

Tsunoyama, H; Ito, H; Komori, M; Kobayashi, R; Shibuta, M; Eguchi, T; Nakajima, A

CATALYSIS SCIENCE & TECHNOLOGY 8 ( 22 ) 5827 - 5834 2018年11月21日

ISSN: 2044-4753

DOI
Refining evERdock: Improved selection of good protein-protein complex models achieved by MD optimization and use of multiple conformations

Shinobu, A; Takemura, K; Matubayasi, N; Kitao, A

JOURNAL OF CHEMICAL PHYSICS 149 ( 19 ) 2018年11月21日

ISSN: 0021-9606

DOI
Development of the fragment-based COHSEX method for large and complex molecular systems

Fujita, T; Noguchi, Y

PHYSICAL REVIEW B 98 ( 20 ) 2018年11月20日

ISSN: 2469-9950

DOI
Phosphorescence Properties of Discrete Platinum(II) Complex Anions Bearing N-Heterocyclic Carbenes in the Solid State

Ogawa, T; Sameera, WMC; Saito, D; Yoshida, M; Kobayashi, A; Kato, M

INORGANIC CHEMISTRY 57 ( 22 ) 14086 - 14096 2018年11月19日

ISSN: 0020-1669

DOI
Cubane-Type [Mo3S4M] Clusters with First-Row Groups 4-10 Transition-Metal Halides Supported by C5Me5 Ligands on Molybdenum

Ohki, Y; Uchida, K; Hara, R; Kachi, M; Fujisawa, M; Tada, M; Sakai, Y; Sameera, WMC

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 64 ) 17138 - 17147 2018年11月16日

ISSN: 0947-6539

DOI
Fractional-occupation-number based divide-and-conquer coupled-cluster theory

Yoshikawa, T; Nakai, H

CHEMICAL PHYSICS LETTERS 712 184 - 189 2018年11月16日

ISSN: 0009-2614

DOI
Energy-level alignment of a single molecule on ultrathin insulating film

Imai-Imada, M; Imada, H; Miwa, K; Jung, J; Shimizu, TK; Kawai, M; Kim, Y

PHYSICAL REVIEW B 98 ( 20 ) 2018年11月15日

ISSN: 2469-9950

DOI
Magnetic behavior of Fe nanoparticles driven by phase transition of FeF3

Takami, T; Matsui, K; Senoh, H; Taguchi, N; Shikano, M; Sakaebe, H; Fukunaga, T

JOURNAL OF ALLOYS AND COMPOUNDS 769 539 - 544 2018年11月15日

ISSN: 0925-8388

DOI
Synergetic Effects of Triplet Triplet Annihilation and Directional Triplet Exciton Migration in Organic Crystals for Photon Upconversion

Sato, R; Kitoh-Nishioka, H; Kamada, K; Mizokuro, T; Kobayashi, K; Shigeta, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9 ( 22 ) 6638 - 6643 2018年11月15日

ISSN: 1948-7185

DOI
Unveiling Controlling Factors of the S0/S1 Minimum Energy Conical Intersection: A Theoretical Study

Nakai, H; Inamori, M; Ikabata, Y; Wang, Q

JOURNAL OF PHYSICAL CHEMISTRY A 122 ( 45 ) 8905 - 8910 2018年11月15日

ISSN: 1089-5639

DOI
Concerted-asynchronous reaction path of the excited-state double proton transfer in the 7-azaindole homodimer and 6H-indolo[2,3-b] quinoline/7-azaindole heterodimer

Yamazaki, S

CHEMICAL PHYSICS 515 768 - 778 2018年11月14日

ISSN: 0301-0104

DOI
Laser spectroscopic study on sinapic acid and its hydrated complex in a cold gas phase molecular beam

Kenjo, S; Iida, Y; Chaki, N; Kinoshita, S; Inokuchi, Y; Yamazaki, K; Ebata, T

CHEMICAL PHYSICS 515 381 - 386 2018年11月14日

ISSN: 0301-0104

DOI
On-the-fly molecular dynamics study of the excited-state branching reaction of α-methyl-cis-stilbene

Tsutsumi, T; Harabuchi, Y; Yamamoto, R; Maeda, S; Taketsugu, T

CHEMICAL PHYSICS 515 564 - 571 2018年11月14日

ISSN: 0301-0104

DOI
Use of Cyclopropane as C1 Synthetic Unit by Directed Retro-Cyclopropanation with Ethylene Release

Asako, S; Kobashi, T; Takai, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 45 ) 15425 - 15429 2018年11月14日

ISSN: 0002-7863

DOI
Acceleration of electrons in THz driven structures for AXSIS

Matlis, NH; Ahr, F; Calendron, AL; Cankaya, H; Cirmi, G; Eichner, T; Fallahi, A; Fakhari, M; Hartin … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 909 27 - 32 2018年11月12日

ISSN: 0168-9002

DOI
Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association

Xie, WJ; Cha, S; Ohto, T; Mizukami, W; Mao, YZ; Wagner, M; Bonn, M; Hunger, J; Nagata, Y

CHEM 4 ( 11 ) 2615 - 2627 2018年11月08日

ISSN: 2451-9294

DOI
Diradical Character Enhancement by Spacing: N-Heterocyclic Carbene Analogues of Muller's Hydrocarbon

Rottschäfer, D; Busch, J; Neumann, B; Stammler, HG; Van Gastel, M; Kishi, R; Nakano, M; Ghadwal, RS

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 62 ) 16537 - 16542 2018年11月07日

ISSN: 0947-6539

DOI
Influence of the metals and ligands in dinuclear complexes on phosphopeptide sequencing by electron-transfer dissociation tandem mass spectrometry

Asakawa, D; Miyazato, A; Rosu, F; Gabelica, V

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 41 ) 26597 - 26607 2018年11月07日

ISSN: 1463-9076

DOI
Reconsideration of the relaxational and vibrational line shapes of liquid water based on ultrabroadband dielectric spectroscopy

Shiraga, K; Tanaka, K; Arikawa, T; Saito, S; Ogawa, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 41 ) 26200 - 26209 2018年11月07日

ISSN: 1463-9076

DOI
Thousand-atom ab initio calculations of excited states at organic/organic interfaces: toward first-principles investigations of charge photogeneration

Fujita, T; Alam, MK; Hoshi, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 41 ) 26443 - 26452 2018年11月07日

ISSN: 1463-9076

DOI
Origin of Nb2O5 Lewis Acid Catalysis for Activation of Carboxylic Acids in the Presence of a Hard Base

Hirunsit, P; Toyao, T; Siddiki, SMAH; Shimizu, K; Ehara, M

CHEMPHYSCHEM 19 ( 21 ) 2848 - 2857 2018年11月05日

ISSN: 1439-4235

DOI
Theoretical Study on Open-Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π-Stacked Dimers Composed of Weak Open-Shell Antiaromatic Porphyrins

Fujiyoshi, JY; Tonami, T; Yamane, M; Okada, K; Kishi, R; Muhammad, S; Al-Sehemi, AG; Nozawa, R; Shi … 全著者表示

CHEMPHYSCHEM 19 ( 21 ) 2863 - 2871 2018年11月05日

ISSN: 1439-4235

DOI
Application of C-Terminal 7-Azabicyclo[2.2.1]heptane to Stabilize β-Strand-like Extended Conformation of a Neighboring α-Amino Acid

Zhai, LH; Wang, SY; Nara, M; Takeuchi, K; Shimada, I; Otani, Y; Ohwada, T

JOURNAL OF ORGANIC CHEMISTRY 83 ( 21 ) 13063 - 13079 2018年11月02日

ISSN: 0022-3263

DOI
Deprotonative Metalation of Methoxy-Substituted Arenes Using Lithium 2,2,6,6-Tetramethylpiperidide: Experimental and Computational Study

Akimoto, G; Otsuka, M; Takita, R; Uchiyama, M; Hedidi, M; Bentabed-Ababsa, G; Lassagne, F; Erb, W; … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 83 ( 21 ) 13498 - 13506 2018年11月02日

ISSN: 0022-3263

DOI
Dielectric Relaxation of Powdered Molecular Gyrotops Having a Thiophene Dioxide-diyl as a Dipolar Rotor

Tsurunaga, M; Inagaki, Y; Momma, H; Kwon, E; Yamaguchi, K; Yoza, K; Setaka, W

ORGANIC LETTERS 20 ( 21 ) 6934 - 6937 2018年11月02日

ISSN: 1523-7060

DOI
Circularly Polarized Photoluminescence from Achiral Dye Molecules Induced by Plasmonic Two-Dimensional Chiral Nanostructures

Le, KQ; Hashiyada, S; Kondo, M; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 43 ) 24924 - 24932 2018年11月01日

ISSN: 1932-7447

DOI
Electrochemical measurements of molecular compounds in homogeneous solution under photoirradiation

Fukatsu, A; Kondo, M; Masaoka, S

COORDINATION CHEMISTRY REVIEWS 374 416 - 429 2018年11月01日

ISSN: 0010-8545

DOI
Potentiometric evaluation of antioxidant capacity using polyoxometalate- immobilized electrodes

Tanaka, Y; Hasegawa, T; Shimamura, T; Ukeda, H; Ueda, T

JOURNAL OF ELECTROANALYTICAL CHEMISTRY 828 102 - 107 2018年11月01日

ISSN: 1572-6657

DOI
Density functional theory-based ab initio molecular dynamics simulation of ionic conduction in N-/F-doped ZrO2 under epitaxial strain

Oka, M; Kamisaka, H; Fukumura, T; Hasegawa, T

COMPUTATIONAL MATERIALS SCIENCE 154 91 - 96 2018年11月

ISSN: 0927-0256

DOI
Effects of ultraviolet photon irradiation and subsequent thermal treatments on solution-processed amorphous indium gallium zinc oxide thin films

Takamori, Y; Morimoto, T; Fukuda, N; Ohki, Y

AIP ADVANCES 8 ( 11 ) 2018年11月

ISSN: 2158-3226

DOI
Electron and Hydride Transfer in a Redox-Active NiFe Hydride Complex: A DFT Study

Isegawa, M; Sharma, AK; Ogo, S; Morokuma, K

ACS CATALYSIS 8 ( 11 ) 10419 - 10429 2018年11月

ISSN: 2155-5435

DOI
Iridium-Catalyzed Direct Cyclization of Aromatic Amines with Diols

Minakawa, M; Watanabe, K; Toyoda, S; Uozumi, Y

SYNLETT 29 ( 18 ) 2385 - 2389 2018年11月

ISSN: 0936-5214

DOI
Limited Search Characteristics of the Scaled Hypersphere Search Method: A Systematic Case Study for Isomers of BCNOS

Kodaya, Y; Yamakado, H; Ohno, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 ( 11 ) 1625 - 1629 2018年11月

ISSN: 0009-2673

DOI
Open-Shell Characters, Aromaticities and Third-Order Nonlinear Optical Properties of Carbon Nanobelts Composed of Five- and Six-Membered Rings

Yamane, M; Kishi, R; Tonami, T; Okada, K; Nagami, T; Kitagawa, Y; Nakano, M

ASIAN JOURNAL OF ORGANIC CHEMISTRY 7 ( 11 ) 2320 - 2329 2018年11月

ISSN: 2193-5807

DOI
Quantitative analysis of mammalian chromosome by scanning transmission soft X-ray microscopy

Shinohara, K; Ohigashi, T; Toné, S; Kado, M; Ito, A

ULTRAMICROSCOPY 194 1 - 6 2018年11月

ISSN: 0304-3991

DOI
Thiophene and its sulfur inhibit indenoindenodibenzothiophene diradicals from low-energy lying thermal triplets

Dressler, JJ; Teraoka, M; Espejo, GL; Kishi, R; Takamuku, S; Gómez-García, CJ; Zakharov, LN; Nakano … 全著者表示

NATURE CHEMISTRY 10 ( 11 ) 1134 - 1140 2018年11月

ISSN: 1755-4330

DOI
Valence and core-level photoelectron spectroscopy studies of Fe2P(10(1)over-bar0): Effect of P segregation on the surface electronic structure

Sugizaki, Y; Motoyama, H; Shimato, Y; Yoshida, T; Takano, T; Edamoto, K

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 11 ) 2018年11月

ISSN: 0021-4922

DOI
Anisotropic valence band dispersion of single crystal pentacene as measured by angle-resolved ultraviolet photoelectron spectroscopy

Nakayama, Y; Hikasa, M; Moriya, N; Meissner, M; Yamaguchi, T; Yoshida, K; Murata, M; Mase, K; Ueba, … 全著者表示

JOURNAL OF MATERIALS RESEARCH 33 ( 20 ) 3362 - 3370 2018年10月29日

ISSN: 0884-2914

DOI
Millijoule femtosecond pulses at 1937 nm from a diode-pumped ring cavity Tm:YAP regenerative amplifier

Rezvani, SA; Suzuki, M; Malevich, P; Livache, C; de Montgolfier, JV; Nomura, Y; Tsurumachi, N; Balt … 全著者表示

OPTICS EXPRESS 26 ( 22 ) 29460 - 29470 2018年10月29日

ISSN: 1094-4087

DOI
A detailed insight into the catalytic reduction of NO operated by Cr-Cu nanostructures embedded in a CeO2 surface

Koizumi, K; Yoshida, H; Boero, M; Tamai, K; Hosokawa, S; Tanaka, T; Nobusada, K; Machida, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 40 ) 2018年10月28日

ISSN: 1463-9076

DOI
Hydrogen adsorption on Pt(111) revisited from random phase approximation

Yan, L; Sun, Y; Yamamoto, Y; Kasamatsu, S; Hamada, I; Sugino, O

JOURNAL OF CHEMICAL PHYSICS 149 ( 16 ) 2018年10月28日

ISSN: 0021-9606

DOI
Pyrrole-Based Zwitterionic π-Electronic Systems That Form Self-Assembled Dimers

Maeda, H; Okubo, T; Haketa, Y; Yasuda, N

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 60 ) 16176 - 16182 2018年10月26日

ISSN: 0947-6539

DOI
Structural Effects of Fusicoccin upon Upregulation of 14-3-3-Phospholigand Interaction and Cytotoxic Activity

Ohkanda, J; Kusumoto, A; Punzalan, L; Masuda, R; Wang, CY; Parvatkar, P; Akase, D; Aida, M; Uesugi, … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 60 ) 16066 - 16071 2018年10月26日

ISSN: 0947-6539

DOI
Attosecond Control of Restoration of Electronic Structure Symmetry

Liu, CM; Manz, J; Ohmori, K; Sommer, C; Takei, N; Tremblay, JC; Zhang, YC

PHYSICAL REVIEW LETTERS 121 ( 17 ) 2018年10月25日

ISSN: 0031-9007

DOI
Vibrational and Molecular Properties of Mg2+ Binding and Ion Selectivity in the Magnesium Channel MgtE

Kimura, T; Lorenz-Fonfria, VA; Douki, S; Motoki, H; Ishitani, R; Nureki, O; Higashi, M; Furutani, Y

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 42 ) 9681 - 9696 2018年10月25日

ISSN: 1520-6106

DOI
Capturing the Freeze-Drying Dynamics of NaCl Nanoparticles Using THz Spectroscopy

Ajito, K; Ueno, Y; Kim, JY; Sumikama, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 42 ) 13793 - 13797 2018年10月24日

ISSN: 0002-7863

DOI
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer

Zheng, JJ; Kusaka, S; Matsuda, R; Kitagawa, S; Sakaki, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 42 ) 13958 - 13969 2018年10月24日

ISSN: 0002-7863

DOI
Off-axis rotor in Enterococcus hirae V-ATPase visualized by Zernike phase plate single-particle cryo-electron microscopy

Tsunoda, J; Song, CH; Imai, FL; Takagi, J; Ueno, H; Murata, T; Iino, R; Murata, K

SCIENTIFIC REPORTS 8 2018年10月23日

ISSN: 2045-2322

DOI
How To Perform Suzuki-Miyaura Reactions of Nitroarene or Nitrations of Bromoarene Using a Pd0 Phosphine Complex: Theoretical Insight and Prediction

Zhong, RL; Nagaoka, M; Nakao, Y; Sakaki, S

ORGANOMETALLICS 37 ( 20 ) 3480 - 3487 2018年10月22日

ISSN: 0276-7333

DOI
Multiple binding modes of a moderate ice-binding protein from a polar microalga

Kondo, H; Mochizuki, K; Bayer-Giraldi, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 39 ) 25295 - 25303 2018年10月21日

ISSN: 1463-9076

DOI
Stereoselective interactions as manifested by vibrational circular dichroism spectra: the interplay between chiral metal complexes co-adsorbed in a montmorillonite clay

Sato, H; Takimoto, K; Mori, H; Yamagishi, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 39 ) 25421 - 25427 2018年10月21日

ISSN: 1463-9076

DOI
Anion-Substitution-Induced Nonrigid Variation of Band Structure in SrNbO3-xNx (0 ≤ x ≤ 1) Epitaxial Thin Films

Oka, D; Hirose, Y; Kaneko, M; Nakao, S; Fukumura, T; Yamashita, K; Hasegawa, T

ACS APPLIED MATERIALS & INTERFACES 10 ( 41 ) 35008 - 35015 2018年10月17日

ISSN: 1944-8244

DOI
Tetranuclear Dysprosium(III) Quintuple-Decker Single-Molecule Magnet Prepared Using a π-Extended Phthalocyaninato Ligand with Two Coordination Sites

Katoh, K; Morita, T; Yasuda, N; Wernsdorfer, W; Kitagawa, Y; Breedlove, BK; Yamashita, M

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 58 ) 15522 - 15528 2018年10月17日

ISSN: 0947-6539

DOI
Statistical and quantum-chemical analysis of the effect of heme porphyrin distortion in heme proteins: Differences between oxidoreductases and oxygen carrier proteins

Kanematsu, Y; Kondo, HX; Imada, Y; Takano, Y

CHEMICAL PHYSICS LETTERS 710 108 - 112 2018年10月16日

ISSN: 0009-2614

DOI
Linear polystyrene-stabilized Rh(III) nanoparticles for oxidative coupling of arylboronic acids with alkenes in water

Ohtaka, A; Fukui, S; Sakon, A; Hamasaka, G; Uozumi, Y; Shinagawa, T; Shimomura, O; Nomura, R

JOURNAL OF ORGANOMETALLIC CHEMISTRY 873 1 - 7 2018年10月15日

ISSN: 0022-328X

DOI
Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds

Kitano, H; Matsuoka, W; Ito, H; Itami, K

CHEMICAL SCIENCE 9 ( 38 ) 7556 - 7561 2018年10月14日

ISSN: 2041-6520

DOI
Adsorption of Multiple NO Molecules on Rhn+ (n=6, 7) Investigated by Infrared Multiple Photon Dissociation Spectroscopy

Nagata, T; Kudoh, S; Miyajima, K; Bakker, JM; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 40 ) 22884 - 22891 2018年10月11日

ISSN: 1932-7447

DOI
Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell

Teramoto, M; Iwata, K; Yamaura, H; Kurashima, K; Miyazawa, K; Kurashige, Y; Yamamoto, K; Murahashi, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 40 ) 12682 - 12686 2018年10月10日

ISSN: 0002-7863

DOI
Possibility of Dielectric Material: Magnetic Resonance Study of Oxo-Bridged Dinuclear Ruthenium Mixed-Valence Complex

Nakamura, T; Asada, M; Yoshida, M; Kondo, M; Masaoka, S

CHEMISTRYSELECT 3 ( 37 ) 10526 - 10531 2018年10月09日

ISSN: 2365-6549

DOI
Conformational properties of an artificial GM1 glycan cluster based on a metal-ligand complex

Tachi, Y; Okamoto, Y; Okumura, H

JOURNAL OF CHEMICAL PHYSICS 149 ( 13 ) 2018年10月07日

ISSN: 0021-9606

DOI
Cationic Chiral Pd-Catalyzed "Acetylenic" Diels-Alder Reaction: Computational Analysis of Reversal in Enantioselectivity

Honda, K; Ohkura, S; Hayashi, Y; Kawauchi, S; Mikami, K

CHEMISTRY-AN ASIAN JOURNAL 13 ( 19 ) 2842 - 2846 2018年10月04日

ISSN: 1861-4728

DOI
Role of Mg2+ Ions in DNA Hydrolysis by EcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics

Onishi, I; Sunaba, S; Yoshida, N; Hirata, F; Irisa, M

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 39 ) 9061 - 9075 2018年10月04日

ISSN: 1520-6106

DOI
Singlet-Fission-Born Quintet State: Sublevel Selections and Trapping by Multiexciton Thermodynamics

Nagashima, H; Kawaoka, S; Akimoto, S; Tachikawa, T; Matsui, Y; Ikeda, H; Kobori, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9 ( 19 ) 5855 - 5861 2018年10月04日

ISSN: 1948-7185

DOI
Temperature-Dependent Structural Changes in Liquid Benzene

Nagasaka, M; Yuzawa, H; Mochizuki, K; Rühl, E; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9 ( 19 ) 5827 - 5832 2018年10月04日

ISSN: 1948-7185

DOI
Observation of the linewidth broadening of single spins in diamond nanoparticles in aqueous fluid and its relation to the rotational Brownian motion

Fujiwara, M; Shikano, Y; Tsukahara, R; Shikata, S; Hashimoto, H

SCIENTIFIC REPORTS 8 2018年10月03日

ISSN: 2045-2322

DOI
Selectivity of the Br 3d-1 Auger decays in HBr

Palaudoux, J; Kaneyasu, T; Andric, L; Carniato, S; Gamblin, G; Penent, F; Hikosaka, Y; Shigemasa, E … 全著者表示

PHYSICAL REVIEW A 98 ( 4 ) 2018年10月03日

ISSN: 2469-9926

DOI
An Atomistic Model of a Precursor State of Light-Induced Channel Opening of Channelrhodopsin

Cheng, C; Kamiya, M; Takemoto, M; Ishitani, R; Nureki, O; Yoshida, N; Hayashi, S

BIOPHYSICAL JOURNAL 115 ( 7 ) 1281 - 1291 2018年10月02日

ISSN: 0006-3495

DOI
Double pair breaking peak in Raman scattering spectra of the triple-layer cuprate Bi2Sr2Ca2Cu3O10+z

Vincini, G; Tanaka, K; Adachi, T; Sobirey, L; Miyasaka, S; Tajima, S; Adachi, S; Sasaki, N; Watanab … 全著者表示

PHYSICAL REVIEW B 98 ( 14 ) 2018年10月02日

ISSN: 2469-9950

DOI
Comparative study on the interactions of sulfide and iodine mediators with a dye in p-type dye-sensitized solar cells

Kusama, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 365 110 - 118 2018年10月01日

ISSN: 1010-6030

DOI
Dinitrogen Fixation by Vanadium Complexes with a Triamidoamine Ligand

Kokubo, Y; Yamamoto, C; Tsuzuki, K; Nagai, T; Katayarna, A; Ohta, T; Ogura, T; Wasada-Tsutsui, Y; K … 全著者表示

INORGANIC CHEMISTRY 57 ( 19 ) 11884 - 11894 2018年10月01日

ISSN: 0020-1669

DOI
An Organometallic Molecular Wire Bearing a Manganese Porphyrin Linker: Coordination-driven Modulation of the Metal-Metal Interaction

Tanaka, Y; Ono, M; Akita, M

CHEMISTRY LETTERS 47 ( 10 ) 1296 - 1299 2018年10月

ISSN: 0366-7022

DOI
Asymmetric Copper-Catalyzed C(sp)-H Bond Insertion of Carben-oids Derived from N-Tosylhydrazones

Osako, T; Nagaosa, M; Hamasaka, G; Uozumi, Y

SYNLETT 29 ( 17 ) 2251 - 2256 2018年10月

ISSN: 0936-5214

DOI
Auger-free luminescence characteristics of Rb1-xCsxCaCl3

Takahashi, K; Koshimizu, M; Fujimoto, Y; Yanagida, T; Asai, K

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN 126 ( 10 ) 755 - 760 2018年10月

ISSN: 1882-0743

DOI
Band Dispersion and Hole Effective Mass of Methylammonium Lead Iodide Perovskite

Yang, JP; Meissner, M; Yamaguchi, T; Zhang, XY; Ueba, T; Cheng, LW; Ideta, S; Tanaka, K; Zeng, XH; … 全著者表示

SOLAR RRL 2 ( 10 ) 2018年10月

ISSN: 2367-198X

DOI
Development of persistent phosphor of Eu2+ doped Ba2SiO4 by Er3+ codoping based on vacuum referred binding energy diagram

Asami, K; Ueda, J; Yasuda, K; Hongo, K; Maezono, R; Brik, MG; Tanabe, S

OPTICAL MATERIALS 84 436 - 441 2018年10月

ISSN: 0925-3467

DOI
Ground state of ultrashallow thermal donors in silicon

Hara, A; Awano, T

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 10 ) 2018年10月

ISSN: 0021-4922

DOI
Potent Antimalarial Activity of Two Arenes Linked with Triamine Designed To Have Multiple Interactions with Heme

Sakata, Y; Yabunaka, K; Kobayashi, Y; Omiya, H; Umezawa, N; Kim, HS; Wataya, Y; Tomita, Y; Hisamats … 全著者表示

ACS MEDICINAL CHEMISTRY LETTERS 9 ( 10 ) 980 - 985 2018年10月

ISSN: 1948-5875

DOI
Resonance State Method for Electron Injection in Dye Sensitized Solar Cells

Sulzer, D; Yasuda, K

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14 ( 10 ) 5090 - 5104 2018年10月

ISSN: 1549-9618

DOI
Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation

Noto, N; Tanaka, Y; Koike, T; Akita, M

ACS CATALYSIS 8 ( 10 ) 9408 - 9419 2018年10月

ISSN: 2155-5435

DOI
Structures and Conducting Properties of Molecular Conductors Based on DM-TTP

Kinoshita, N; Shirahata, T; Misaki, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 ( 10 ) 1553 - 1555 2018年10月

ISSN: 0009-2673

DOI
Tetrathiafulvalene Dimer Merged with a Binuclear Ring of Sn and Sb: Synthesis and Molecular Structures Induced by Heteroatoms

Hasegawa, M; Shirai, M; Mazaki, Y

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 36 ) 4084 - 4092 2018年09月30日

ISSN: 1434-1948

DOI
Crucial role of fragmented and isolated defects in persistent relaxation of deeply supercooled water

Saito, S; Bagchi, B; Ohmine, I

JOURNAL OF CHEMICAL PHYSICS 149 ( 12 ) 2018年09月28日

ISSN: 0021-9606

DOI
Effect of amino group protonation on the carboxyl group in aqueous glycine observed by O 1s X-ray emission spectroscopy

Horikawa, Y; Tokushima, T; Takahashi, O; Harada, Y; Hiraya, A; Shin, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 36 ) 23214 - 23221 2018年09月28日

ISSN: 1463-9076

DOI
Double aromaticity arising from σ- and π-rings

Furukawa, S; Fujita, M; Kanatomi, Y; Minoura, M; Hatanaka, M; Morokuma, K; Ishimura, K; Saito, M

COMMUNICATIONS CHEMISTRY 1 2018年09月27日

ISSN: 2399-3669

DOI
Identification of a novel zinc-binding protein, C1orf123, as an interactor with a heavy metal-associated domain

Furukawa, Y; Lim, C; Tosha, T; Yoshida, K; Hagai, T; Akiyama, S; Watanabe, S; Nakagome, K; Shiro, Y

PLOS ONE 13 ( 9 ) 2018年09月27日

ISSN: 1932-6203

DOI
Hydrogen Bonding Environments in the Photocycle Process around the Flavin Chromophore of the AppA-BLUF domain

Iwata, T; Nagai, T; Ito, S; Osoegawa, S; Iseki, M; Watanabe, M; Unno, M; Kitagawa, S; Kandori, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 38 ) 11982 - 11991 2018年09月26日

ISSN: 0002-7863

DOI
Construction of a Metal-Free Electron Spin System by Encapsulation of an NO Molecule Inside an Open-Cage Fullerene C60 Derivative

Hasegawa, S; Hashikawa, Y; Kato, T; Murata, Y

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 57 ( 39 ) 12804 - 12808 2018年09月24日

ISSN: 1433-7851

DOI
Electronic-dimensionality reduction of bulk MoS2 by hydrogen treatment

Cho, S; Kim, BS; Kim, B; Kyung, W; Seo, J; Park, M; Jeon, JW; Tanaka, K; Denlinger, JD; Kim, C; Odk … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 35 ) 23007 - 23012 2018年09月21日

ISSN: 1463-9076

DOI
Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubes

Muhammad, S; Nakano, M; Al-Sehemi, AG; Irfan, A; Chaudhry, AR; Tonami, T; Ito, S; Kishi, R; Kitagaw … 全著者表示

NANOSCALE 10 ( 35 ) 2018年09月21日

ISSN: 2040-3364

DOI
Solving the Schrodinger equation of atoms and molecules with the free-complement chemical-formula theory: First-row atoms and small molecules

Nakatsuji, H; Nakashima, H; Kurokawa, YI

JOURNAL OF CHEMICAL PHYSICS 149 ( 11 ) 2018年09月21日

ISSN: 0021-9606

DOI
Solving the Schrodinger equation of atoms and molecules: Chemical-formula theory, free-complement chemical-formula theory, and intermediate variational theory

Nakatsuji, H; Nakashima, H; Kurokawa, YI

JOURNAL OF CHEMICAL PHYSICS 149 ( 11 ) 2018年09月21日

ISSN: 0021-9606

DOI
Synthesis of thieno[2,3-c]acridine and furo[2,3-c]acridine derivatives via an iodocyclization reaction and their fluorescence properties and DFT mechanistic studies

Sonawane, AD; Garud, DR; Udagawa, T; Kubota, Y; Koketsu, M

NEW JOURNAL OF CHEMISTRY 42 ( 18 ) 15315 - 15324 2018年09月21日

ISSN: 1144-0546

DOI
Photoinduced Electron Transfer at the Interface between Heterogeneous Two-Dimensional Layered Materials

Iida, K; Noda, M; Nobusada, K

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 37 ) 21651 - 21658 2018年09月20日

ISSN: 1932-7447

DOI
Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin

Nakamura, A; Okazaki, K; Furuta, T; Sakurai, M; Iino, R

NATURE COMMUNICATIONS 9 2018年09月19日

ISSN: 2041-1723

DOI
Effect of alkali ions on optical properties of flavins: vibronic spectra of cryogenic M+lumichrome ions (M = Li-Cs) in the gas phase

Nieto, P; Müller, D; Sheldrick, A; Günther, A; Miyazaki, M; Dopfer, O

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 34 ) 22148 - 22158 2018年09月14日

ISSN: 1463-9076

DOI
QM/MM Approach to Isomerization of Ruthenium(II) Sulfur Dioxide Complex in Crystal; Comparison with Solution and Gas Phases

Aono, S; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 36 ) 20701 - 20716 2018年09月13日

ISSN: 1932-7447

DOI
Evaluation of Aromaticity for Open-Shell Singlet Dicyclopenta-Fused Acenes and Polyacenes Based on a Magnetically Induced Current

Nagami, T; Fujiyoshi, J; Tonami, T; Watanabe, K; Yamane, M; Okada, K; Kishi, R; Nakano, M; Champagn … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 51 ) 13457 - 13466 2018年09月12日

ISSN: 0947-6539

DOI
Change of Fermi surface states related with two different Tc-raising mechanisms in iron pnictide superconductors

Takemori, A; Hajiri, T; Miyasaka, S; Tin, ZH; Adachi, T; Ideta, S; Tanaka, K; Matsunami, M; Tajima, … 全著者表示

PHYSICAL REVIEW B 98 ( 10 ) 2018年09月10日

ISSN: 2469-9950

DOI
Redox-Switchable Bis-fused Tetrathiafulvalene Analogue: Observation and Control of Two Different Reduction Processes from Dication to Neutral State

Kato, M; Fujita, Y; Yamauchi, T; Mori, S; Shirahata, T; Misaki, Y

ORGANIC LETTERS 20 ( 17 ) 5121 - 5125 2018年09月07日

ISSN: 1523-7060

DOI
Intramolecular Vibrations Complement the Robustness of Primary Charge Separation in a Dimer Model of the Photosystem II Reaction Center

Fujihashi, Y; Higashi, M; Ishizaki, A

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9 ( 17 ) 4921 - 4929 2018年09月06日

ISSN: 1948-7185

DOI
Halogen in Materials Design: Chloroammonium Lead Triiodide Perovskite (ClNH3PbI3) a Dynamical Bandgap Semiconductor in 3D for Photovoltaics

Varadwaj, PR; Varadwaj, A; Marques, HM; Yamashita, K

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 23 ) 1902 - 1912 2018年09月05日

ISSN: 0192-8651

DOI
Insights into Geometries, Stabilities, Electronic Structures, Reactivity Descriptors, and Magnetic Properties of Bimetallic NimCun-m (m=1, 2; n=3-13) Clusters: Comparison with Pure Copper Clusters

Singh, RK; Iwasa, T; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 23 ) 1878 - 1889 2018年09月05日

ISSN: 0192-8651

DOI
Redox-Responsive Chiral Dopant for Quick Electrochemical Color Modulation of Cholesteric Liquid Crystal

Tokunaga, S; Itoh, Y; Tanaka, H; Araoka, F; Aida, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 35 ) 10946 - 10949 2018年09月05日

ISSN: 0002-7863

DOI
Field-enhanced quantum fluctuation in an S=1/2 frustrated square lattice

Yamaguchi, H; Sasaki, Y; Okubo, T; Yoshida, M; Kida, T; Hagiwara, M; Kono, Y; Kittaka, S; Sakakibar … 全著者表示

PHYSICAL REVIEW B 98 ( 9 ) 2018年09月04日

ISSN: 2469-9950

DOI
Tri- and Tetranuclear Copper Hydride Complexes Supported by Tetradentate Phosphine Ligands

Nakajima, T; Kamiryo, Y; Hachiken, K; Nakamae, K; Ura, Y; Tanase, T

INORGANIC CHEMISTRY 57 ( 17 ) 11005 - 11018 2018年09月03日

ISSN: 0020-1669

DOI
A quantitative thermal and thermomechanical analysis for design optimization and robustness assessment of microassembled high power Yb:CaF2 thin-disk Laser

Joly, S; Lemesre, MA; Levrier, B; Lyszyk, C; Plano, B; Courjaud, A; Taira, T; Bechou, L

OPTICS AND LASER TECHNOLOGY 105 229 - 241 2018年09月

ISSN: 0030-3992

DOI
An ab initio approach to polarity inversion of AlN and GaN films on AIN(000(1)over-bar) substrate with Al overlayers: an insight from interface energies

Uchino, M; Akiyama, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 9 ) 2018年09月

ISSN: 0021-4922

DOI
Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions

Nakagawa, Y; Imokawa, Y; Fujisawa, I; Nakayama, N; Goto, H; Chanthamath, S; Shibatomi, K; Iwasa, S

ACS OMEGA 3 ( 9 ) 11286 - 11289 2018年09月

ISSN: 2470-1343

DOI
Local electronic and magnetic properties of ferro-orbital-ordered FeV2O4

Okabayashi, J; Miyasaka, S; Takahashi, M; Tajima, S

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 9 ) 2018年09月

ISSN: 0021-4922

DOI
Solid-State NMR Characterization of the Structure of Self-Assembled Ile-Phe-OH

Kawamura, I; Shirakata, H; Ozawa, Y; Mijiddorj, B; Ueda, K

MAGNETOCHEMISTRY 4 ( 3 ) 2018年09月

DOI
Unexpected Resistance to Base-Catalyzed Hydrolysis of Nitrogen Pyramidal Amides Based on the 7-Azabicyclic[2.2.1]heptane Scaffold

de Velasco, DAOG; Su, A; Zhai, LH; Kinoshita, S; Otani, Y; Ohwada, T

MOLECULES 23 ( 9 ) 2018年09月

DOI
Variable-Temperature XAFS Analysis of SiO2-Supported Pd-Bisphosphine Complexes With/Without Co-immobilized Organic Functionality

Motokura, K; Uemura, Y; Chun, WJ

TOPICS IN CATALYSIS 61 ( 14 ) 1408 - 1413 2018年09月

ISSN: 1022-5528

DOI
Spectroscopic ruler for measuring active-site distortions based on Raman optical activity of a hydrogen out-of-plane vibration

Haraguchi, S; Shingae, T; Fujisawa, T; Kasai, N; Kumauchi, M; Hanamoto, T; Hoff, WD; Unno, M

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 115 ( 35 ) 8671 - 8675 2018年08月28日

ISSN: 0027-8424

DOI
Giant Rashba splitting of quasi-one-dimensional surface states on Bi/InAs(110)-(2 x 1)

Nakamura, T; Ohtsubo, Y; Yamashita, Y; Ideta, S; Tanaka, K; Yaji, K; Harasawa, A; Shin, S; Komori, … 全著者表示

PHYSICAL REVIEW B 98 ( 7 ) 2018年08月27日

ISSN: 2469-9950

DOI
Multiscale enhanced sampling of glucokinase: Regulation of the enzymatic reaction via a large scale domain motion

Moritsugu, K; Terada, T; Kokubo, H; Endo, S; Tanaka, T; Kidera, A

JOURNAL OF CHEMICAL PHYSICS 149 ( 7 ) 2018年08月21日

ISSN: 0021-9606

DOI
On the phase behaviors of hydrocarbon and noble gas clathrate hydrates: Dissociation pressures, phase diagram, occupancies, and equilibrium with aqueous solution

Tanaka, H; Yagasaki, T; Matsumoto, M

JOURNAL OF CHEMICAL PHYSICS 149 ( 7 ) 2018年08月21日

ISSN: 0021-9606

DOI
Understanding dissolution process of chitin crystal in ionic liquids: theoretical study

Uto, T; Idenoue, S; Yamamoto, K; Kadokawa, J

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 31 ) 20669 - 20677 2018年08月21日

ISSN: 1463-9076

DOI
Nanoscale chiral surface relief of azo-polymers with nearfield OAM light

Masuda, K; Shinozaki, R; Kinezuka, Y; Lee, J; Ohno, S; Hashiyada, S; Okamoto, H; Sakai, D; Harada, … 全著者表示

OPTICS EXPRESS 26 ( 17 ) 22197 - 22207 2018年08月20日

ISSN: 1094-4087

DOI
Field-induced single-molecule magnet behavior in ideal trigonal antiprismatic cobalt(ii) complexes: precise geometrical control by a hydrogen-bonded rigid metalloligand

Mitsuhashi, R; Pedersen, KS; Ueda, T; Suzuki, T; Bendix, J; Mikuriya, M

CHEMICAL COMMUNICATIONS 54 ( 64 ) 8869 - 8872 2018年08月18日

ISSN: 1359-7345

DOI
Dynamical behavior of molecular partial charges implied by the far-infrared spectral profile of liquid water

Torii, H

CHEMICAL PHYSICS 512 165 - 170 2018年08月17日

ISSN: 0301-0104

DOI
Ni-Catalyzed Dimerization and Hydroperfluoroarylation of 1,3-Dienes

Iwasaki, T; Min, X; Fukuoka, A; Zhu, LZ; Qiu, RH; Yang, T; Ehara, M; Sudalai, A; Kambe, N

JOURNAL OF ORGANIC CHEMISTRY 83 ( 16 ) 9267 - 9277 2018年08月17日

ISSN: 0022-3263

DOI
Theoretical investigation on vibrational frequency fluctuations of SCN-derivatized vibrational probe molecule in water

Okuda, M; Higashi, M; Ohta, K; Saito, S; Tominaga, K

CHEMICAL PHYSICS 512 82 - 87 2018年08月17日

ISSN: 0301-0104

DOI
"Doping" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire

Tanaka, Y; Kato, Y; Tada, T; Fujii, S; Kiguchi, M; Akita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 32 ) 10080 - 10084 2018年08月15日

ISSN: 0002-7863

DOI
Derivative of electron repulsion integral using accompanying coordinate expansion and transferred recurrence relation method for long contraction and high angular momentum

Hayami, M; Seino, J; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 118 ( 16 ) 2018年08月15日

ISSN: 0020-7608

DOI
Steric Course of Deprotonation/Substitution of Chelating/Dipole-Stabilizing-Group-Substituted -Amino- and -Oxynitriles

Sasaki, M; Shimabara, R; Takegawa, T; Kotomori, Y; Otani, Y; Ohwada, T

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2018 ( 30 ) 4128 - 4134 2018年08月15日

ISSN: 1434-193X

DOI
Effective-potential theory for time-dependent many-electron wave functions

Kato, T; Yamanouchi, K

PHYSICAL REVIEW A 98 ( 2 ) 2018年08月10日

ISSN: 2469-9926

DOI
Phase Diagrams of TIP4P/2005, SPC/E, and TIP5P Water at High Pressure

Yagasaki, T; Matsumoto, M; Tanaka, H

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 31 ) 7718 - 7725 2018年08月09日

ISSN: 1520-6106

DOI
Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts

Povie, G; Segawa, Y; Nishihara, T; Miyauchi, Y; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 31 ) 10054 - 10059 2018年08月08日

ISSN: 0002-7863

DOI
Mechanism of NO-CO reaction over highly dispersed cuprous oxide on γ-alumina catalyst using a metal-support interfacial site in the presence of oxygen: similarities to and differences from biological systems

Fukuda, R; Sakai, S; Takagi, N; Matsui, M; Ehara, M; Hosokawa, S; Tanaka, T; Sakaki, S

CATALYSIS SCIENCE & TECHNOLOGY 8 ( 15 ) 3833 - 3845 2018年08月07日

ISSN: 2044-4753

DOI
QM/MM Investigation for Protonation States in a Bilin Reductase PcyA-Biliverdin IX? Complex

Iijima, E; Gleeson, MP; Unno, M; Mori, S

CHEMPHYSCHEM 19 ( 15 ) 1809 - 1813 2018年08月07日

ISSN: 1439-4235

DOI
Phosphorescence Resulting from Interaction between Two Non-equivalent Metals on a Helical π-Conjugated Surface

Akiyama, M; Tsuchiya, Y; Ishii, A; Hasegawa, M; Kurashige, Y; Nozaki, K

CHEMISTRY-AN ASIAN JOURNAL 13 ( 15 ) 1902 - 1905 2018年08月06日

ISSN: 1861-4728

DOI
Reversible Oxidative Addition/Reductive Elimination of a Si-H Bond with Base-Stabilized Silylenes: A Theoretical Insight

Nakagaki, M; Baceiredo, A; Kato, T; Sakaki, S

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 44 ) 11377 - 11385 2018年08月06日

ISSN: 0947-6539

DOI
Free energy landscapes of prototropic tautomerism in pyridoxal 5-phosphate schiff bases at the active site of an enzyme in aqueous medium

Soniya, K; Chandra, A

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 21 ) 1629 - 1638 2018年08月05日

ISSN: 0192-8651

DOI
Halogen in materials design: Fluoroammonium lead triiodide (FNH3PbI3) perovskite as a newly discovered dynamical bandgap semiconductor in 3D

Varadwaj, A; Varadwaj, PR; Yamashita, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 118 ( 15 ) 2018年08月05日

ISSN: 0020-7608

DOI
Chiroptical and Redox Properties of a Tetrathiafulvalene Analogue with an Inserted Spiro Framework

Hasegawa, M; Kurebayashi, D; Matsuzawa, H; Mazaki, Y

CHEMISTRY LETTERS 47 ( 8 ) 989 - 992 2018年08月

ISSN: 0366-7022

DOI
Comprehensive Study on Ce-Doped (Gd,La)2Si2O7 Scintillator

Kurosawa, S; Horiai, T; Murakami, R; Shoji, Y; Pejchal, J; Yamaji, A; Kodama, S; Ohashi, Y; Yokota, … 全著者表示

IEEE TRANSACTIONS ON NUCLEAR SCIENCE 65 ( 8 ) 2136 - 2139 2018年08月

ISSN: 0018-9499

DOI
DBU-mediated Highly Efficient CO2-fixation to Propargylamines and Polypropargylamine

Kim, NK; Sogawa, H; Yamamoto, K; Hayashi, Y; Kawauchi, S; Takata, T

CHEMISTRY LETTERS 47 ( 8 ) 1063 - 1066 2018年08月

ISSN: 0366-7022

DOI
Dependence of behavioral performance on material category in an object-grasping task with monkeys

Yokoi, I; Tachibana, A; Minamimoto, T; Goda, N; Komatsu, H

JOURNAL OF NEUROPHYSIOLOGY 120 ( 2 ) 553 - 563 2018年08月

ISSN: 0022-3077

DOI
Expression, Functional Characterization, and Preliminary Crystallization of the Cochaperone Prefoldin from the Thermophilic Fungus Chaetomium thermophilum

Morita, K; Yamamoto, YY; Hori, A; Obata, T; Uno, Y; Shinohara, K; Noguchi, K; Noi, K; Ogura, T; Ish … 全著者表示

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 19 ( 8 ) 2018年08月

DOI
Helicity and Topological Chirality in Hydrogen-Bonded Supermolecules Characterized by Advanced Graph Set Analysis and Solid-State Vibrational Circular Dichroism Spectroscopy

Sasaki, T; Miyata, M; Sato, H

CRYSTAL GROWTH & DESIGN 18 ( 8 ) 4621 - 4627 2018年08月

ISSN: 1528-7483

DOI
Higher Ordered Structure of Cellulose Predicted by Computational Chemistry: Cellulose Nanotube in Cyclohexane and Ethyl Acetate

Uto, T; Yui, T

JOURNAL OF FIBER SCIENCE AND TECHNOLOGY 74 ( 8 ) 171 - 176 2018年08月

ISSN: 2189-7654

DOI
Magnetic circular dichroism of an unaromatic planar [8]annulene

Wen, J; Uto, T; Chalupsky, J; Casher, DL; Raabe, G; Fleischhauer, J; Yanai, T; Tsuji, H; Komatsu, K … 全著者表示

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 31 ( 8 ) 2018年08月

ISSN: 0894-3230

DOI
Measuring Number of Free Radicals and Evaluating the Purity of Di(phenyl)-(2,4,6-trinitrophenyl)iminoazanium [DPPH] Reagents by Effective Magnetic Moment Method

Matsumoto, N; Itoh, N

ANALYTICAL SCIENCES 34 ( 8 ) 965 - 971 2018年08月

ISSN: 0910-6340

DOI
Metal-free Reduction of Nitro Aromatics to Amines with B2(OH)4/H2O

Chen, DY; Zhou, YM; Zhou, HF; Liu, SS; Liu, QX; Zhang, KL; Uozumi, Y

SYNLETT 29 ( 13 ) 1765 - 1768 2018年08月

ISSN: 0936-5214

DOI
Nonlinear charge oscillation driven by a single-cycle light field in an organic superconductor

Kawakami, Y; Amano, T; Yoneyama, Y; Akamine, Y; Itoh, H; Kawaguchi, G; Yamamoto, HM; Kishida, H; It … 全著者表示

NATURE PHOTONICS 12 ( 8 ) 474 - + 2018年08月

ISSN: 1749-4885

DOI
Photovoltaic Science and Engineering FOREWORD

Matsubara, K; Yamada, A; Minemoto, T; Itoh, T; Arafune, K; Fujiwara, H; Hayase, S; Hiramoto, M; His … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 8 ) 2018年08月

ISSN: 0021-4922

DOI
Poly(tetrafluoroethylene)-Stabilized Metal Nanoparticles: Preparation and Evaluation of Catalytic Activity for Suzuki, Heck, and Arene Hydrogenation in Water

Ohtaka, A; Kawase, M; Aihara, S; Miyamoto, Y; Terada, A; Nakamura, K; Hamasaka, G; Uozumi, Y; Shina … 全著者表示

ACS OMEGA 3 ( 8 ) 10066 - 10073 2018年08月

ISSN: 2470-1343

DOI
Recent Developments in Electron Spin Science and Technology in Japan

Nakamura, T; Ikoma, T; Yamada, K

APPLIED MAGNETIC RESONANCE 49 ( 8 ) 755 - 756 2018年08月

ISSN: 0937-9347

DOI
Regioselective Functionalization of 2,3,6,7,10,11-Hexacyano-1,4,5,8,9,12-hexaazatriphenylene with Primary Amines

Hinokimoto, A; Tashiro, M; Kitagawa, Y; Tanaka, D

CHEMISTRY LETTERS 47 ( 8 ) 1006 - 1009 2018年08月

ISSN: 0366-7022

DOI
Structures and Conducting Properties of Molecular Conductors Based on EO-ST-STP

Watanabe, M; Kinoshita, N; Shirahata, T; Misaki, Y

CHEMISTRY LETTERS 47 ( 8 ) 982 - 984 2018年08月

ISSN: 0366-7022

DOI
Visualization of the Intrinsic Reaction Coordinate and Global Reaction Route Map by Classical Multidimensional Scaling

Tsutsumi, T; Ono, Y; Arai, Z; Taketsugu, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14 ( 8 ) 4263 - 4270 2018年08月

ISSN: 1549-9618

DOI
Performance evaluation of the zero-multipole summation method in modern molecular dynamics software

Sakuraba, S; Fukuda, I

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 20 ) 1551 - 1560 2018年07月30日

ISSN: 0192-8651

DOI
Red Moon methodology compatible with quantum mechanics/molecular mechanics framework: Application to solid electrolyte interphase film formation in lithium-ion battery system

Fujie, T; Takenaka, N; Suzuki, Y; Nagaoka, M

JOURNAL OF CHEMICAL PHYSICS 149 ( 4 ) 2018年07月28日

ISSN: 0021-9606

DOI
Coulomb and CH-π interactions in (6-4) photolyase-DNA complex dominate DNA binding and repair abilities

Terai, Y; Sato, R; Yumiba, T; Harada, R; Shimizu, K; Toga, T; Ishikawa-Fujiwara, T; Todo, T; Iwai, … 全著者表示

NUCLEIC ACIDS RESEARCH 46 ( 13 ) 6761 - 6772 2018年07月27日

ISSN: 0305-1048

DOI
ColDock: Concentrated Ligand Docking with All-Atom Molecular Dynamics Simulation

Takemura, K; Sato, C; Kitao, A

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 29 ) 7191 - 7200 2018年07月26日

ISSN: 1520-6106

DOI
Highly Efficient 2D/3D Hybrid Perovskite Solar Cells via Low-Pressure Vapor-Assisted Solution Process

Li, MH; Yeh, HH; Chiang, YH; Jeng, US; Su, CJ; Shiu, HW; Hsu, YJ; Kosugi, N; Ohigashi, T; Chen, YA; … 全著者表示

ADVANCED MATERIALS 30 ( 30 ) 2018年07月26日

ISSN: 0935-9648

DOI
Reaction Stoichiometry and Mechanism of Pt Deposition via Surface Limited Redox Replacement of Copper UPD Layer on Au(111)

Yuan, Q; Wakisakai, Y; Uemura, Y; Wada, T; Ariga-Miwa, H; Takakusagi, S; Asakura, K; Brankovic, SR

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 29 ) 16664 - 16673 2018年07月26日

ISSN: 1932-7447

DOI
Shallow electron traps formed by Gd2+ ions adjacent to oxygen vacancies in cerium-doped Gd3Al2Ga3O12 crystals

Kitaura, M; Watanabe, S; Kamada, K; Kim, KJ; Yoshino, M; Kurosawa, S; Yagihashi, T; Ohnishi, A; Har … 全著者表示

APPLIED PHYSICS LETTERS 113 ( 4 ) 2018年07月23日

ISSN: 0003-6951

DOI
Dynamics of water in conical solvation shells around a benzene solute under different thermodynamic conditions

Choudhary, A; Chandra, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 27 ) 18328 - 18339 2018年07月21日

ISSN: 1463-9076

DOI
Pseudorotaxanes in the gas phase: structure and energetics of protonated dibenzylamine-crown ether complexes

Kida, M; Shimoyama, D; Ikeda, T; Sekiya, R; Haino, T; Ebata, T; Jouvet, C; Inokuchi, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 27 ) 18678 - 18687 2018年07月21日

ISSN: 1463-9076

DOI
Aqueous Asymmetric 1,4-Addition of Arylboronic Acids to Enones Catalyzed by an Amphiphilic Resin-Supported Chiral Diene Rhodium Complex under Batch and Continuous-Flow Conditions

Shen, GS; Osako, T; Nagaosa, M; Uozumi, Y

JOURNAL OF ORGANIC CHEMISTRY 83 ( 14 ) 7380 - 7387 2018年07月20日

ISSN: 0022-3263

DOI
Control of the Spin Dynamics of Single-Molecule Magnets by using a Quasi One-Dimensional Arrangement

Katoh, K; Yamashita, S; Yasuda, N; Kitagawa, Y; Breedlove, BK; Nakazawa, Y; Yamashita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 57 ( 30 ) 9262 - 9267 2018年07月20日

ISSN: 1433-7851

DOI
Electronic Structure of a Polybenzimidazole-Wrapped Single-Wall Carbon Nanotube

Ghuman, KK; Fujigaya, T

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 28 ) 15979 - 15985 2018年07月19日

ISSN: 1932-7447

DOI
First-Principles Calculations of the Rotational Motion and Hydrogen Bond Capability of Large Organic Cations in Hybrid Perovskites

Kanno, S; Imamura, Y; Hada, M

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 28 ) 15966 - 15972 2018年07月19日

ISSN: 1932-7447

DOI
Pressure tensor for electrostatic interaction calculated by fast multipole method with periodic boundary condition

Yoshii, N; Andoh, Y; Okazaki, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 19 ) 1192 - 1199 2018年07月15日

ISSN: 0192-8651

DOI
Different photoisomerization routes found in the structural isomers of hydroxy methylcinnamate

Kinoshita, S; Miyazaki, Y; Sumida, M; Onitsuka, Y; Kohguchi, H; Inokuchi, Y; Akai, N; Shiraogawa, T … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 26 ) 17583 - 17598 2018年07月14日

ISSN: 1463-9076

DOI
Electron Transfer Pathways of Cyclobutane Pyrimidine Dimer Photolyase Revisited

Sato, R; Kitoh-Nishioka, H; Ando, K; Yamato, T

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 27 ) 6912 - 6921 2018年07月12日

ISSN: 1520-6106

DOI
Non-Markovian Quantum-Classical Ratchet for Ultrafast Long-Range Electron-Hole Separation in Condensed Phases

Kato, A; Ishizaki, A

PHYSICAL REVIEW LETTERS 121 ( 2 ) 2018年07月11日

ISSN: 0031-9007

DOI
Generation of vector beam with tandem helical undulators

Matsuba, S; Kawase, K; Miyamoto, A; Sasaki, S; Fujimoto, M; Konomi, T; Yamamoto, N; Hosaka, M; Kato … 全著者表示

APPLIED PHYSICS LETTERS 113 ( 2 ) 2018年07月09日

ISSN: 0003-6951

DOI
Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(I) complexes with diphosphine ligands

Osawa, M; Aino, M; Nagakura, T; Hoshino, M; Tanaka, Y; Akita, M

DALTON TRANSACTIONS 47 ( 25 ) 8229 - 8239 2018年07月07日

ISSN: 1477-9226

DOI
Diradical Character and Second Hyperpolarizability of Alkaline Earth Metal Inverse Sandwich Complexes Involving Cyclopentadienyl and Cyclooctatetraene Ligands

Takamuku, S; Nakano, M

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 25 ) 2894 - 2899 2018年07月06日

ISSN: 1434-1948

DOI
Revealing the Cooperative Chemistry of the Organic Cation in the Methylammonium Lead Triiodide Perovskite Semiconductor System

Varadwaj, A; Varadwaj, PR; Yamashita, K

CHEMISTRYSELECT 3 ( 25 ) 7269 - 7282 2018年07月06日

ISSN: 2365-6549

DOI
Pulse shape and molecular orientation determine the attosecond charge migration in Caffeine

Niehaus, TA; Meziane, M; Lepine, F; Marciniak, A; Yamazaki, K; Kono, H

EUROPEAN PHYSICAL JOURNAL B 91 ( 7 ) 2018年07月04日

ISSN: 1434-6028

DOI
Redox-Driven Symmetry Change for Terbium(III) Bis(porphyrinato) Double-Decker Complexes by the Azimuthal Rotation of the Porphyrin Macrocycles

Yamashita, K; Yamanaka, T; Sakata, N; Ogawa, T

CHEMISTRY-AN ASIAN JOURNAL 13 ( 13 ) 1692 - 1698 2018年07月04日

ISSN: 1861-4728

DOI
Development of highly soluble perylenetetracarboxylic diimide derivative for n-type monolayer field-effect-transistor

Chooppawa, T; Suda, M; Uruichi, M; Kunaseth, M; Namuangruk, S; Rashatasakhon, P; Yamamoto, HM

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 669 ( 1 ) 94 - 105 2018年07月03日

ISSN: 1542-1406

DOI
Molecular Structure, Optical, and Magnetic Properties of Free-Base Naphthalocyanine Dianions

Konarev, DV; Khasanov, SS; Nakano, Y; Shestakov, AF; Ishikawa, M; Otsuka, A; Yamochi, H; Kitagawa, … 全著者表示

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2018 ( 26 ) 3410 - 3415 2018年07月03日

ISSN: 1434-193X

DOI
Retinal Configuration of ppR Intermediates Revealed by Photoirradiation Solid-State NMR and DFT

Makino, Y; Kawamura, I; Okitsu, T; Wada, A; Kamo, N; Sudo, Y; Ueda, K; Naito, A

BIOPHYSICAL JOURNAL 115 ( 1 ) 72 - 83 2018年07月03日

ISSN: 0006-3495

DOI
Universality of the giant Seebeck effect in organic small molecules

Kojima, H; Abe, R; Fujiwara, F; Nakagawa, M; Takahashi, K; Kuzuhara, D; Yamada, H; Yakiyama, Y; Sak … 全著者表示

MATERIALS CHEMISTRY FRONTIERS 2 ( 7 ) 1276 - 1283 2018年07月01日

DOI
Adsorption of Monocyclic Carbon Rings on Graphene: Energetics Revealed via Continuum Modeling

Kalathingal, M; Owais, C; Roy, DSP; Swathi, RS

ACS OMEGA 3 ( 7 ) 7542 - 7554 2018年07月

ISSN: 2470-1343

DOI
DFT Optimization of Isolated Molecular Chain Sheet Models Constituting Native Cellulose Crystal Structures

Uto, T; Yui, T

ACS OMEGA 3 ( 7 ) 8050 - 8058 2018年07月

ISSN: 2470-1343

DOI
First-Order Interacting Space Approach to Excited-State Molecular Interaction: Solvatochromic Shift of p-Coumaric Acid and Retinal Schiff Base

Yanai, K; Ishimura, K; Nakayama, A; Hasegawa, J

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14 ( 7 ) 3643 - 3655 2018年07月

ISSN: 1549-9618

DOI
Infrared Evaluation of Enantiometric Amount and Application to Racemization at the Interface Between L- and D-Alanine

Kamei, S; Hibi, J; Ohtsubo, Y; Watanabe, H; Kimura, S

APPLIED SPECTROSCOPY 72 ( 7 ) 1074 - 1079 2018年07月

ISSN: 0003-7028

DOI
Observation of spontaneous orientation polarization in evaporated films of organic light-emitting diode materials

Osada, K; Goushi, K; Kaji, H; Adachi, C; Ishii, H; Noguchi, Y

ORGANIC ELECTRONICS 58 313 - 317 2018年07月

ISSN: 1566-1199

DOI
Plasmid-Based One-Pot Saturation Mutagenesis and Robot-Based Automated Screening for Protein Engineering

Kawai, F; Nakamura, A; Visootsat, A; Iino, R

ACS OMEGA 3 ( 7 ) 7715 - 7726 2018年07月

ISSN: 2470-1343

DOI
Proton-Enhanced Dielectric Properties of Polyoxometalates in Water under Radio- Frequency Electromagnetic Waves

Tsubaki, S; Hayakawa, S; Ueda, T; Mitani, T; Suzuki, E; Fujii, S; Wada, Y

MATERIALS 11 ( 7 ) 2018年07月

ISSN: 1996-1944

DOI
Stable isotope labeling approaches for NMR characterization of glycoproteins using eukaryotic expression systems

Yanaka, S; Yagi, H; Yogo, R; Yagi-Utsumi, M; Kato, K

JOURNAL OF BIOMOLECULAR NMR 71 ( 3 ) 193 - 202 2018年07月

ISSN: 0925-2738

DOI
Synthesis of Substituted Helicenes by Ir-Catalyzed Annulative Coupling of Biarylcarboxylic Acid Chlorides with Alkynes

Kamikawa, K; Den, H; Tsurusaki, A; Nagata, T; Miura, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 ( 7 ) 1069 - 1074 2018年07月

ISSN: 0009-2673

DOI
The role of D-allo-isoleucine in the deposition of the anti-Leishmania peptide bombinin H4 as revealed by 31P solid-state NMR, VCD spectroscopy, and MD simulation

Mijiddorj, B; Kaneda, S; Sato, H; Kitahashi, Y; Javkhlantugs, N; Naito, A; Ueda, K; Kawamura, I

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1866 ( 7 ) 789 - 798 2018年07月

ISSN: 1570-9639

DOI
Ultrafast dissolution and creation of bonds in IrTe2 induced by photodoping

Ideta, S; Zhang, DF; Dijkstra, AG; Artyukhin, S; Keskin, S; Cingolani, R; Shimojima, T; Ishizaka, K … 全著者表示

SCIENCE ADVANCES 4 ( 7 ) 2018年07月

ISSN: 2375-2548

DOI
Unusual Molecular and Supramolecular Structures of Chiral Low Molecular Weight Organogelators with Long Perfluoroalkyl Chains

Sasaki, T; Egami, A; Yajima, T; Uekusa, H; Sato, H

CRYSTAL GROWTH & DESIGN 18 ( 7 ) 4200 - 4205 2018年07月

ISSN: 1528-7483

DOI
A nearlinear scaling equation of motion coupled cluster method for ionized states

Dutta, AK; Saitow, M; Riplinger, C; Neese, F; Izsák, R

JOURNAL OF CHEMICAL PHYSICS 148 ( 24 ) 2018年06月28日

ISSN: 0021-9606

DOI
Acetylacetonato-based pincer-type nickel(II) complexes: synthesis and catalysis in cross-couplings of aryl chlorides with aryl Grignard reagents

Asano, E; Hatayama, Y; Kurisu, N; Ohtani, A; Hashimoto, T; Kurihara, Y; Ueda, K; Ishihara, S; Nagao … 全著者表示

DALTON TRANSACTIONS 47 ( 24 ) 8003 - 8012 2018年06月28日

ISSN: 1477-9226

DOI
Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

Seino, J; Kageyama, R; Fujinami, M; Ikabata, Y; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 148 ( 24 ) 2018年06月28日

ISSN: 0021-9606

DOI
Coherent control theory and experiment of optical phonons in diamond

Sasaki, H; Tanaka, R; Okano, Y; Minami, F; Kayanuma, Y; Shikano, Y; Nakamura, KG

SCIENTIFIC REPORTS 8 2018年06月25日

ISSN: 2045-2322

DOI
Low-overpotential CO2 reduction by a phosphine-substituted Ru(ii) polypyridyl complex

Lee, SK; Kondo, M; Nakamura, G; Okamura, M; Masaoka, S

CHEMICAL COMMUNICATIONS 54 ( 50 ) 6915 - 6918 2018年06月25日

ISSN: 1359-7345

DOI
Ion-Pairing Assemblies of π-Electronic Anions Formed by Intramolecular Hydrogen Bonding

Maeda, H; Takeda, Y; Haketa, Y; Morimoto, Y; Yasuda, N

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 35 ) 8910 - 8916 2018年06月21日

ISSN: 0947-6539

DOI
Multiexciton Dynamics Depending on Intramolecular Orientations in Pentacene Dimers: Recombination and Dissociation of Correlated Triplet Pairs

Sakai, H; Inaya, R; Nagashima, H; Nakamura, S; Kobori, Y; Tkachenko, NV; Hasobe, T

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9 ( 12 ) 3354 - 3360 2018年06月21日

ISSN: 1948-7185

DOI
Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation

Kuo, AT; Takeuchi, K; Tanaka, A; Urata, S; Okazaki, S; Shinoda, W

POLYMER 146 53 - 62 2018年06月20日

ISSN: 0032-3861

DOI
Many-body spin Hall effect with space-inversion symmetry

Phuc, NT; Ueda, M

PHYSICAL REVIEW A 97 ( 6 ) 2018年06月19日

ISSN: 2469-9926

DOI
Revealing Factors Influencing the Fluorine-Centered Non-Covalent Interactions in Some Fluorine-Substituted Molecular Complexes: Insights from First-Principles Studies

Varadwaj, A; Varadwaj, PR; Marques, HM; Yamashita, K

CHEMPHYSCHEM 19 ( 12 ) 1486 - 1499 2018年06月19日

ISSN: 1439-4235

DOI
Effect of electron correlations on spin excitation bandwidth in Ba0.75K0.25Fe2As2 as seen via time-of-flight inelastic neutron scattering

Murai, N; Suzuki, K; Ideta, S; Nakajima, M; Tanaka, K; Ikeda, H; Kajimoto, R

PHYSICAL REVIEW B 97 ( 24 ) 2018年06月18日

ISSN: 2469-9950

DOI
All-electron relativistic computations on the low-lying electronic states, bond length, and vibrational frequency of CeF diatomic molecule with spin-orbit coupling effects

Kondo, Y; Kobayashi, M; Akama, T; Noro, T; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 16 ) 964 - 972 2018年06月15日

ISSN: 0192-8651

DOI
Characteristics of Organic-Metal Interaction: A Perspective from Bonding Distance to Orbital Delocalization

Kera, S; Hosokai, T; Duhm, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 87 ( 6 ) 2018年06月15日

ISSN: 0031-9015

DOI
Diphosphination of Arynes with Diphosphines

Okugawa, Y; Hayashi, Y; Kawauchi, S; Hirano, K; Miura, M

ORGANIC LETTERS 20 ( 12 ) 3670 - 3673 2018年06月15日

ISSN: 1523-7060

DOI
Electrolyte cation dependence of the electron transfer kinetics associated with the [SVW11O40]3-/4- (VV/IV) and [SVW11O40]4-/5- (WVI/V) processes in propylene carbonate

Li, JZ; Bentley, CL; Ueda, T; Bond, AM; Zhang, J

JOURNAL OF ELECTROANALYTICAL CHEMISTRY 819 193 - 201 2018年06月15日

ISSN: 1572-6657

DOI
Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems

Shiraogawa, T; Ehara, M; Jurinovich, S; Cupellini, L; Mennucci, B

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 16 ) 931 - 935 2018年06月15日

ISSN: 0192-8651

DOI
Magnetic behavior in heterometallic one-dimensional chains or octanuclear complex regularly aligned with metal-metal bonds as -Rh-Rh-Pt-Cu-Pt

Uemura, K

JOURNAL OF MOLECULAR STRUCTURE 1162 31 - 36 2018年06月15日

ISSN: 0022-2860

DOI
Molecular dynamics simulations of theoretical cellulose nanotube models

Uto, T; Kodama, Y; Miyata, T; Yui, T

CARBOHYDRATE POLYMERS 190 331 - 338 2018年06月15日

ISSN: 0144-8617

DOI
Intermediate length-scale chirality related to the vibrational circular dichroism intensity enhancement upon fibril formation in a gelation process

Torii, H; Sato, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 22 ) 14992 - 14996 2018年06月14日

ISSN: 1463-9076

DOI
Rhodium Complexes Bearing PAIP Pincer Ligands

Hara, N; Saito, T; Semba, K; Kuriakose, N; Zheng, H; Sakaki, S; Nakao, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 23 ) 7070 - 7073 2018年06月13日

ISSN: 0002-7863

DOI
Conformational rearrangements of the C1 ring in KaiC measure the timing of assembly with KaiB

Mukaiyama, A; Furuike, Y; Abe, J; Yamashita, E; Kondo, T; Akiyama, S

SCIENTIFIC REPORTS 8 2018年06月11日

ISSN: 2045-2322

DOI
Generation of Optical Vortices by Nonlinear Inverse Thomson Scattering at Arbitrary Angle Interactions

Taira, Y; Katoh, M

ASTROPHYSICAL JOURNAL 860 ( 1 ) 2018年06月10日

ISSN: 0004-637X

DOI
An Overlapping Region between the Two Terminal Folding Units of the Outer Surface Protein A (OspA) Controls Its Folding Behavior

Makabe, K; Nakamura, T; Dhar, D; Ikura, T; Koide, S; Kuwajima, K

JOURNAL OF MOLECULAR BIOLOGY 430 ( 12 ) 1799 - 1813 2018年06月08日

ISSN: 0022-2836

DOI
Alkyl chain elongation and acyl group effects in a series of Eu/Tb complexes with hexadentate π-electronic skeletons and their enhanced luminescence in solutions

Ogata, S; Goto, N; Sakurai, S; Ishii, A; Hatanaka, M; Yoshihara, K; Tanabe, R; Kayano, K; Magaribuc … 全著者表示

DALTON TRANSACTIONS 47 ( 21 ) 7135 - 7143 2018年06月07日

ISSN: 1477-9226

DOI
C(sp3)-H Cyanation Promoted by Visible-Light Photoredox/Phosphate Hybrid Catalysis

Wakaki, T; Sakai, K; Enomoto, T; Kondo, M; Masaoka, S; Oisaki, K; Kanai, M

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 32 ) 8051 - 8055 2018年06月07日

ISSN: 0947-6539

DOI
Effect of Band Bending and Energy Level Alignment at the Donor/Acceptor Interface on Open-Circuit Voltage in Organic Solar Cells

Izawa, S; Shintaku, N; Hiramoto, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9 ( 11 ) 2914 - 2918 2018年06月07日

ISSN: 1948-7185

DOI
Facile synthesis of 2,3-benzodiazepines using one-pot two-step phosphate-assisted acylation-hydrazine cyclization reactions

Sumita, A; Lee, J; Otani, Y; Ohwada, T

ORGANIC & BIOMOLECULAR CHEMISTRY 16 ( 21 ) 4013 - 4020 2018年06月07日

ISSN: 1477-0520

DOI
Ion Imaging of Mgl+ Photofragment in Ultraviolet Photodissociation of Mass-Selected Mg+ICH3 Complex

Okutsu, K; Yamazaki, K; Nakano, M; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 122 ( 22 ) 4948 - 4953 2018年06月07日

ISSN: 1089-5639

DOI
The Evolution of Intermolecular Energy Bands of Occupied and Unoccupied Molecular States in Organic Thin Films

Kashimoto, Y; Yonezawa, K; Meissner, M; Gruenewald, M; Ueba, T; Kera, S; Forker, R; Fritz, T; Yoshi … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 22 ) 12090 - 12097 2018年06月07日

ISSN: 1932-7447

DOI
Automated error control in divide-and-conquer self-consistent field calculations

Kobayashi, M; Fujimori, T; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 15 ) 909 - 916 2018年06月05日

ISSN: 0192-8651

DOI
Selective Probing of Potassium Ion in Solution by Intramolecular Excimer Fluorescence of Dibenzo-Crown Ethers

Kida, M; Kubo, M; Ujihira, T; Ebata, T; Abe, M; Inokuchi, Y

CHEMPHYSCHEM 19 ( 11 ) 1331 - 1335 2018年06月05日

ISSN: 1439-4235

DOI
Iridium-Catalyzed Aerobic Coupling of Salicylaldehydes with Alkynes: A Remarkable Switch of Oxacyclic Product

Yamane, S; Hinoue, T; Usuki, Y; Itazaki, M; Nakazawa, H; Hayashi, Y; Kawauchi, S; Miura, M; Satoh, T

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 31 ) 7852 - 7855 2018年06月04日

ISSN: 0947-6539

DOI
Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene

Yoshida, Y; Tango, S; Isomura, K; Nakamura, Y; Kishida, H; Koretsune, T; Sakata, M; Nakano, Y; Yamo … 全著者表示

MATERIALS CHEMISTRY FRONTIERS 2 ( 6 ) 1165 - 1174 2018年06月01日

DOI
Cyclic Anion-Responsive π-Electronic Molecules That Overcome Energy Losses Induced by Conformation Changes

Kaname, S; Haketa, Y; Yasuda, N; Maeda, H

ORGANIC LETTERS 20 ( 11 ) 3268 - 3272 2018年06月01日

ISSN: 1523-7060

DOI
Double helix formation from non-natural amylose analog polysaccharides

Yui, T; Uto, T; Nakauchida, T; Yamamoto, K; Kadokawa, J

CARBOHYDRATE POLYMERS 189 184 - 189 2018年06月01日

ISSN: 0144-8617

DOI
Dynamic structural states of CIpB involved in its disaggregation function

Uchihashi, T; Watanabe, Y; Nakazaki, Y; Yamasaki, T; Watanabe, H; Maruno, T; Ishii, K; Uchiyama, S; … 全著者表示

NATURE COMMUNICATIONS 9 2018年06月01日

ISSN: 2041-1723

DOI
Element Selectivity in Second-Harmonic Generation of GaFeO3 by a Soft-X-Ray Free-Electron Laser

Yamamoto, S; Omi, T; Akai, H; Kubota, Y; Takahashi, Y; Suzuki, Y; Hirata, Y; Yamamoto, K; Yukawa, R … 全著者表示

PHYSICAL REVIEW LETTERS 120 ( 22 ) 2018年06月01日

ISSN: 0031-9007

DOI
Appearance of Lithium-Ion Conduction in a La-Li-Co-O Band Insulator: Possible Route to Oxide Electrolyte

Takami, T; Morita, Y; Yonemura, M; Ishikawa, Y; Tanaka, S; Mori, M; Fukunaga, T; Matsubara, E

ACS APPLIED ENERGY MATERIALS 1 ( 6 ) 2546 - 2554 2018年06月

ISSN: 2574-0962

DOI
Controlled Aerobic Oxidation of Primary Benzylic Alcohols to Aldehydes Catalyzed by Polymer-Supported Triazine-Based Dendrimer-Copper Composites

Pan, SG; Yan, S; Osako, T; Uozumi, Y

SYNLETT 29 ( 9 ) 1152 - 1156 2018年06月

ISSN: 0936-5214

DOI
Dyad Sensitizer of Chlorophyll with Indoline Dye for Panchromatic Photocatalytic Hydrogen Evolution

Sun, Y; Sun, YL; Dall'Agnese, C; Wang, XF; Chen, G; Kitao, O; Tamiaki, H; Sakai, K; Ikeuchi, T; Sas … 全著者表示

ACS APPLIED ENERGY MATERIALS 1 ( 6 ) 2813 - 2820 2018年06月

ISSN: 2574-0962

DOI
Flattening and manipulation of the electronic structure of h-BN/Rh(111) nanomesh upon Sn intercalation

Sugiyama, Y; Bernard, C; Okuyama, Y; Ideta, S; Tanaka, K; Greber, T; Hirahara, T

SURFACE SCIENCE 672 33 - 38 2018年06月

ISSN: 0039-6028

DOI
Investigation of luminescence quenching and persistent luminescence in Ce3+ doped (Gd,Y)3(Al,Ga)5O12 garnet using vacuum referred binding energy diagram

Asami, K; Ueda, J; Kitaura, M; Tanabe, S

JOURNAL OF LUMINESCENCE 198 418 - 426 2018年06月

ISSN: 0022-2313

DOI
Near-IR Light-Induced Electron Transfer via Dynamic Quenching

Enomoto, T; Kondo, M; Asada, M; Nakamura, T; Masaoka, S

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 21 ) 11282 - 11287 2018年05月31日

ISSN: 1932-7447

DOI
Anatomy of interfacial spin-orbit coupling in Co/Pd multilayers using X-ray magnetic circular dichroism and first-principles calculations

Okabayashi, J; Miura, Y; Munekata, H

SCIENTIFIC REPORTS 8 2018年05月29日

ISSN: 2045-2322

DOI
P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles

Kuwabara, T; Kato, T; Takano, K; Kodama, S; Manabe, Y; Tsuchida, N; Takano, K; Minami, Y; Hiyama, T … 全著者表示

CHEMICAL COMMUNICATIONS 54 ( 42 ) 5357 - 5360 2018年05月25日

ISSN: 1359-7345

DOI
Lithiation Products of a Silicon Anode Based on Soft X-ray Emission Spectroscopy: A Theoretical Study

Lyalin, A; Kuznetsov, VG; Nakayama, A; Abarenkov, IV; Tupitsyn, II; Gabis, IE; Uosaki, K; Taketsugu … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 20 ) 11096 - 11108 2018年05月24日

ISSN: 1932-7447

DOI
On the issue of closed versus open forms of gamma-aminobutyric acid (GABA) in water: Ab initio molecular dynamics and metadynamics studies

Sharma, B; Chandra, A

JOURNAL OF CHEMICAL PHYSICS 148 ( 19 ) 2018年05月21日

ISSN: 0021-9606

DOI
Solvent-Free Thermal Synthesis of Luminescent Dinuclear Cu(I) Complexes with Triarylphosphines

Liang, PY; Kobayashi, A; Sameera, WMC; Yoshida, M; Kato, M

INORGANIC CHEMISTRY 57 ( 10 ) 5929 - 5938 2018年05月21日

ISSN: 0020-1669

DOI
Pyrrole-Based Anion-Responsive π-Electronic Molecules as Hydrogen-Bonding Catalysts

Hirata, G; Maeda, H

ORGANIC LETTERS 20 ( 10 ) 2853 - 2856 2018年05月18日

ISSN: 1523-7060

DOI
Rhodium(III)-Catalyzed Oxidative Coupling of N-Phenylindole-3-carboxylic Acids with Alkenes and Alkynes via C4-H and C2-H/C2'-H Bond Cleavage

Okada, T; Sakai, A; Hinoue, T; Satoh, T; Hayashi, Y; Kawauchi, S; Chandrababunaidu, K; Miura, M

JOURNAL OF ORGANIC CHEMISTRY 83 ( 10 ) 5639 - 5649 2018年05月18日

ISSN: 0022-3263

DOI
Origin of magnetic properties in carbon implanted ZnO nanowires

Wang, YF; Shao, YC; Hsieh, SH; Chang, YK; Yeh, PH; Hsueh, HC; Chiou, JW; Wang, HT; Ray, SC; Tsai, H … 全著者表示

SCIENTIFIC REPORTS 8 2018年05月17日

ISSN: 2045-2322

DOI
Rhodium-Catalyzed Cascade Synthesis of Benzofuranylmethylidene-Benzoxasiloles: Elucidating Reaction Mechanism and Efficient Solid-State Fluorescence

Namba, T; Hayashi, Y; Kawauchi, S; Shibata, Y; Tanaka, K

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 28 ) 7161 - 7171 2018年05月17日

ISSN: 0947-6539

DOI
Performance of Kobryn-Gusarov-Kovalenko closure from a thermodynamic viewpoint for one-component Lennard-Jones fluids

Miyata, T; Tange, K

CHEMICAL PHYSICS LETTERS 700 88 - 95 2018年05月16日

ISSN: 0009-2614

DOI
Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model

Tarumi, M; Nakai, H

CHEMICAL PHYSICS LETTERS 700 149 - 155 2018年05月16日

ISSN: 0009-2614

DOI
Candidate for a fully frustrated square lattice in a verdazyl-based salt

Yamaguchi, H; Tamekuni, Y; Iwasaki, Y; Hosokoshi, Y

PHYSICAL REVIEW B 97 ( 20 ) 2018年05月14日

ISSN: 2469-9950

DOI
Fundamental study of hydrogen-attachment-induced peptide fragmentation occurring in the gas phase and during the matrix-assisted laser desorption/ionization process

Asakawa, D; Takahashi, H; Iwamoto, S; Tanaka, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 18 ) 13057 - 13067 2018年05月14日

ISSN: 1463-9076

DOI
Hydrogen bonds of the imidazolium rings of ionic liquids with DMSO studied by NMR, soft X-ray spectroscopy, and SANS

Takamuku, T; Tokuda, T; Uchida, T; Sonoda, K; Marekha, BA; Idrissi, A; Takahashi, O; Horikawa, Y; M … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 18 ) 12858 - 12869 2018年05月14日

ISSN: 1463-9076

DOI
Molecular Recognition by a Short Partial Peptide of the Adrenergic Receptor: A Bottom-Up Approach

Sekiguchi, T; Tamura, M; Oba, H; Çarçarbal, P; Lozada-Garcia, RR; Zehnacker-Rentien, A; Grégoire, G … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 57 ( 20 ) 5626 - 5629 2018年05月14日

ISSN: 1433-7851

DOI
Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

Ikabata, Y; Aiba, R; Iwanade, T; Nishizawa, H; Wang, F; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 148 ( 18 ) 2018年05月14日

ISSN: 0021-9606

DOI
Investigations on the charge transfer mechanism at donor/acceptor interfaces in the quest for descriptors of organic solar cell performance

Muraoka, A; Fujii, M; Mishima, K; Matsunaga, H; Benten, H; Ohkita, H; Ito, S; Yamashita, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 17 ) 12193 - 12199 2018年05月07日

ISSN: 1463-9076

DOI
Structural properties determining low K+ affinity of the selectivity filter in the TWIK1 K+ channel

Tsukamoto, H; Higashi, M; Motoki, H; Watanabe, H; Ganser, C; Nakajo, K; Kubo, Y; Uchihashi, T; Furu … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 293 ( 18 ) 6969 - 6984 2018年05月04日

DOI
Probing Triplet Excited States and Managing Blue Light Emission of Neutral Tetradentate Platinum(II) Complexes

You, C; Xia, F; Zhao, Y; Zhang, Y; Sheng, YJ; Wu, YP; Hang, XC; Chen, F; Ma, HL; Shen, K; Sun, ZY; … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9 ( 9 ) 2285 - 2292 2018年05月03日

ISSN: 1948-7185

DOI
A Palladium NNC-Pincer Complex as an Efficient Catalyst Precursor for the Mizoroki-Heck Reaction

Hamasaka, G; Ichii, S; Uozumi, Y

ADVANCED SYNTHESIS & CATALYSIS 360 ( 9 ) 1833 - 1840 2018年05月02日

ISSN: 1615-4150

DOI
Characteristics of crystal quartz for highintensity, sub-nanosecond wavelength conversion

Ishizuki, H; Yahia, V; Taira, T

OPTICAL MATERIALS EXPRESS 8 ( 5 ) 1259 - 1264 2018年05月01日

ISSN: 2159-3930

DOI
Feature issue introduction: Advanced Solid-State Lasers 2017

Boulanger, B; Jiang, SB; Mirov, S; Nilsson, J; Petersen, A; Rotermund, F; Taccheo, S; Taira, T

OPTICAL MATERIALS EXPRESS 8 ( 5 ) 1246 - 1252 2018年05月01日

ISSN: 2159-3930

DOI
High-harmonic generation in solids driven by subcycle midinfrared pulses from two-color filamentation

Shirai, H; Kumaki, F; Nomura, Y; Fuji, T

OPTICS LETTERS 43 ( 9 ) 2094 - 2097 2018年05月01日

ISSN: 0146-9592

DOI
New luminescent cyclometalated iridium complexes prepared by the post-synthetic modification

Kataoka, Y; Okuno, K; Yano, N; Ueda, H; Kawamoto, T; Handa, M

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 358 345 - 355 2018年05月01日

ISSN: 1010-6030

DOI
N-glycan structures of human alveoli provide insight into influenza A virus infection and pathogenesis

Sriwilaijaroen, N; Nakakita, S; Kondo, S; Yagi, H; Kato, K; Murata, T; Hiramatsu, H; Kawahara, T; W … 全著者表示

FEBS JOURNAL 285 ( 9 ) 1611 - 1634 2018年05月

ISSN: 1742-464X

DOI
A Demonstration of Pt L3-Edge EXAFS Free from Au L3-Edge Using Log-Spiral Bent Crystal Laue Analyzers

Wakisaka, Y; Kido, D; Uehara, H; Yuan, QY; Takakusagi, S; Uemura, Y; Yokoyama, T; Wada, T; Uo, M; S … 全著者表示

CATALYSTS 8 ( 5 ) 2018年05月

ISSN: 2073-4344

DOI
Incorporation of Multinuclear Copper Active Sites into Nitrogen-Doped Graphene for Electrochemical Oxygen Reduction

Kato, M; Muto, M; Matsubara, N; Uemura, Y; Wakisaka, Y; Yoneuchi, T; Matsumura, D; Ishihara, T; Tok … 全著者表示

ACS APPLIED ENERGY MATERIALS 1 ( 5 ) 2358 - 2364 2018年05月

ISSN: 2574-0962

DOI
Insight into doping efficiency of organic semiconductors from the analysis of the density of states in n-doped C60 and ZnPc

Gaul, C; Hutsch, S; Schwarze, M; Schellhammer, KS; Bussolotti, F; Kera, S; Cuniberti, G; Leo, K; Or … 全著者表示

NATURE MATERIALS 17 ( 5 ) 439 - + 2018年05月

ISSN: 1476-1122

DOI
Intermolecular Interactions of Pyridine in Liquid Phase and Aqueous Solution Studied by Soft X-ray Absorption Spectroscopy

Nagasaka, M; Yuzawa, H; Kosugi, N

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS 232 ( 5-6 ) 705 - 722 2018年05月

ISSN: 0942-9352

DOI
Location of the extrinsic subunit PsbP in photosystem II studied by pulsed electron-electron double resonance

Asada, M; Nishimura, T; Ifuku, K; Mino, H

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1859 ( 5 ) 394 - 399 2018年05月

ISSN: 0005-2728

DOI
Long-chain solid organic polysulfide cathode for high-capacity secondary lithium batteries

Zeng, Q; Li, Y; Wu, KH; Huang, N; Dalapati, S; Su, BJ; Jang, LY; Gentle, IR; Jiang, DL; Wang, DW

ENERGY STORAGE MATERIALS 12 30 - 36 2018年05月

ISSN: 2405-8297

DOI
PDMS-Based Microfluidic Device for Infrared-Transmission Spectro-Electrochemistry

Suea-Ngam, A; Srisa-Art, M; Furutani, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 ( 5 ) 728 - 734 2018年05月

ISSN: 0009-2673

DOI
Photosensitized Protein-Damaging Activity, Cytotoxicity, and Antitumor Effects of P(V)porphyrins Using Long-Wavelength Visible Light through Electron Transfer

Hirakawa, K; Ouyang, DY; Ibuki, Y; Hirohara, S; Okazaki, S; Kono, E; Kanayama, N; Nakazaki, J; Sega … 全著者表示

CHEMICAL RESEARCH IN TOXICOLOGY 31 ( 5 ) 371 - 379 2018年05月

ISSN: 0893-228X

DOI
Structures and Polarity of III-Nitrides: Phase Diagram Calculations Using Absolute Surface and Interface Energies

Akiyama, T; Nakane, H; Uchino, M; Nakamura, K; Ito, T

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 255 ( 5 ) 2018年05月

ISSN: 0370-1972

DOI
Systematic Theoretical Investigations for Crystal Structure Deformation in Group-III Nitrides: A First-Principles Study

Tsuboi, Y; Akiyama, T; Nakamura, K; Ito, T

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 255 ( 5 ) 2018年05月

ISSN: 0370-1972

DOI
The assembly mechanism of coiled-coil domains of the yeast cargo receptors Emp46p/47p and the mutational alteration of pH-dependency of complex formation

Kato, K; Furuhashi, T; Kato, K; Oda, A; Kurimoto, E

JOURNAL OF BIOCHEMISTRY 163 ( 5 ) 441 - 446 2018年05月

ISSN: 0021-924X

DOI
Ultrafast Coherent Control of Condensed Matter with Attosecond Precision

Katsuki, H; Takei, N; Sommer, C; Ohmori, K

ACCOUNTS OF CHEMICAL RESEARCH 51 ( 5 ) 1174 - 1184 2018年05月

ISSN: 0001-4842

DOI
Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations

Glover, WJ; Mori, T; Schuurman, MS; Boguslavskiy, AE; Schalk, O; Stolow, A; Martínez, TJ

JOURNAL OF CHEMICAL PHYSICS 148 ( 16 ) 2018年04月28日

ISSN: 0021-9606

DOI
First-principles study of giant thermoelectric power in incommensurate TlInSe2

Ishikawa, M; Nakayama, T; Wakita, K; Shim, YG; Mamedov, N

JOURNAL OF APPLIED PHYSICS 123 ( 16 ) 2018年04月28日

ISSN: 0021-8979

DOI
Luminescent ionic liquids based on cyclometalated platinum(II) complexes exhibiting thermochromic behaviour in different colour regions

Ogawa, T; Sameera, WMC; Yoshida, M; Kobayashi, A; Kato, M

DALTON TRANSACTIONS 47 ( 16 ) 5589 - 5594 2018年04月28日

ISSN: 1477-9226

DOI
Cu-catalyzed reduction of azaarenes and nitroaromatics with diboronic acid as reductant

Pi, DW; Zhou, HF; Zhou, YM; Liu, QX; He, RK; Shen, GS; Uozumi, Y

TETRAHEDRON 74 ( 17 ) 2121 - 2129 2018年04月26日

ISSN: 0040-4020

DOI
Theoretical Insight into Core-Shell Preference for Bimetallic Pt-M (M = Ru, Rh, Os, and Ir) Cluster and Its Electronic Structure

Lu, J; Ishimura, K; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 16 ) 9081 - 9090 2018年04月26日

ISSN: 1932-7447

DOI
Ni(I)-Hydride Catalyst for Hydrosilylation of Carbon Dioxide and Dihydrogen Generation: Theoretical Prediction and Exploration of Full Catalytic Cycle

Singh, V; Sakaki, S; Deshmukh, MM

ORGANOMETALLICS 37 ( 8 ) 1258 - 1270 2018年04月23日

ISSN: 0276-7333

DOI
ESIPT emission behavior of methoxy-substituted 2-hydroxyphenylbenzimidazole isomers

Takagi, K; Yamada, Y; Fukuda, R; Ehara, M; Takeuchi, D

NEW JOURNAL OF CHEMISTRY 42 ( 8 ) 5923 - 5928 2018年04月21日

ISSN: 1144-0546

DOI
Triazine-Based Cationic Leaving Group: Synergistic Driving Forces for Rapid Formation of Carbocation Species

Fujita, H; Kakuyama, S; Fukuyoshi, S; Hayakawa, N; Oda, A; Kunishima, M

JOURNAL OF ORGANIC CHEMISTRY 83 ( 8 ) 4568 - 4580 2018年04月20日

ISSN: 0022-3263

DOI
Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems

Fujita, T; Mochizuki, Y

JOURNAL OF PHYSICAL CHEMISTRY A 122 ( 15 ) 3886 - 3898 2018年04月19日

ISSN: 1089-5639

DOI
Microhydration of Dibenzo-18-Crown-6 Complexes with K+, RID+, and Cs+ Investigated by Cold UV and IR Spectroscopy in the Gas Phase

Inokuchi, Y; Ebata, T; Rizzo, TR

JOURNAL OF PHYSICAL CHEMISTRY A 122 ( 15 ) 3754 - 3763 2018年04月19日

ISSN: 1089-5639

DOI
Size-Dependent Polymorphism in Aluminum Carbide Cluster Anions AlnC2-: Formation of Acetylide-Containing Structures

Tsuruoka, K; Koyasu, K; Hirabayashi, S; Ichihashi, M; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 15 ) 8341 - 8347 2018年04月19日

ISSN: 1932-7447

DOI
A Go-type opsin mediates the shadow reflex in the annelid Platynereis dumerilii

Ayers, T; Tsukamoto, H; Gühmann, M; Rajan, VBV; Tessmar-Raible, K

BMC BIOLOGY 16 2018年04月18日

ISSN: 1741-7007

DOI
Catalyst-Directed Guidance of Sulfur-Substituted Enediolates to Stereoselective Carbon-Carbon Bond Formation with Aldehydes

Uraguchi, D; Yamada, K; Sato, M; Ooi, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 15 ) 5110 - 5117 2018年04月18日

ISSN: 0002-7863

DOI
Critical Factors in Determining the Heterolytic versus Homolytic Bond Cleavage of Terminal Oxidants by Iron(III) Porphyrin Complexes

Yokota, S; Fujii, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 15 ) 5127 - 5137 2018年04月18日

ISSN: 0002-7863

DOI
Antigen-dependent fluorescence response of anti-c-Myc Quenchbody studied by molecular dynamics simulations

Mori, Y; Okumura, H; Watanabe, T; Hohsaka, T

CHEMICAL PHYSICS LETTERS 698 223 - 226 2018年04月16日

ISSN: 0009-2614

DOI
Feature issue introduction: Advanced Solid-State Lasers 2017

Boulanger, B; Jiang, SB; Mirov, S; Nilsson, J; Petersen, A; Rotermund, F; Taccheo, S; Taira, T

OPTICS EXPRESS 26 ( 8 ) 11018 - 11024 2018年04月16日

ISSN: 1094-4087

DOI
Interaction between dyes and iodide mediators in p-type dye-sensitized solar cells

Kusama, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 357 60 - 71 2018年04月15日

ISSN: 1010-6030

DOI
Magnetic-field-induced Quantum Phase in S=1/2 Frustrated Trellis Lattice

Yamaguchi, H; Yoshizawa, D; Kida, T; Hagiwara, M; Matsuo, A; Kono, Y; Sakakibara, T; Tamekuni, Y; M … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 87 ( 4 ) 2018年04月15日

ISSN: 0031-9015

DOI
Magnetocaloric Effect in Layered Organic Conductor λ-(BETS)2FeCl4

Sugiura, S; Shimada, K; Tajima, N; Nishio, Y; Terashima, T; Isono, T; Kato, R; Zhou, B; Uji, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 87 ( 4 ) 2018年04月15日

ISSN: 0031-9015

DOI
Enantiocontrol by assembled attractive interactions in copper-catalyzed asymmetric direct alkynylation of α-ketoesters with terminal alkynes: OH•••O/sp3-CH•••O two-point hydrogen bonding combined with dispersive attractions

Schwarzer, MC; Fujioka, A; Ishii, T; Ohmiya, H; Mori, S; Sawamura, M

CHEMICAL SCIENCE 9 ( 14 ) 3484 - 3493 2018年04月14日

ISSN: 2041-6520

DOI
Site-selective bond scission of methylbenzoate following core excitation

Takahashi, O; Kooser, K; Ha, DT; Myllynen, H; Laksman, J; Rachlew, E; Kukk, E

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 14 ) 9591 - 9599 2018年04月14日

ISSN: 1463-9076

DOI
Analysis of Physicochemical Interaction of Aβ40 with a GM1 Ganglioside-Containing Lipid Membrane

Vahed, M; Neya, S; Matsuzaki, K; Hoshino, T

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 14 ) 3771 - 3781 2018年04月12日

ISSN: 1520-6106

DOI
Open-Shell Character Dependences of the Second Hyperpolarizability in Two-Dimensional Tetraradicaloids

Matsui, H; Ito, S; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 122 ( 14 ) 3680 - 3687 2018年04月12日

ISSN: 1089-5639

DOI
Antifreeze Glycoproteins Bind Reversibly to Ice via Hydrophobic Groups

Mochizuki, K; Molinero, V

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 14 ) 4803 - 4811 2018年04月11日

ISSN: 0002-7863

DOI
1,1′-Binaphthyl-substituted diphosphene: synthesis, structures, and chiral optical properties

Tsurusaki, A; Ura, R; Kamikawa, K

DALTON TRANSACTIONS 47 ( 13 ) 4437 - 4441 2018年04月07日

ISSN: 1477-9226

DOI
Microscopic chiral pockets in a tris(chelated) iridium(III) complex as sites for dynamic enantioselective quenching

Takimoto, K; Tamura, K; Watanabe, Y; Yamagishi, A; Sato, H

NEW JOURNAL OF CHEMISTRY 42 ( 7 ) 4818 - 4823 2018年04月07日

ISSN: 1144-0546

DOI
Synthesis and properties of N-methylimidazole solvates of vanadium(II), chromium(II) and iron(II) phthalocyanines. Strong NIR absorption in VII(MeIm)2(Pc2-)

Konarev, DV; Kuzmin, AV; Nakano, Y; Khasanov, SS; Otsuka, A; Yamochi, H; Kitagawa, H; Lyubovskaya, … 全著者表示

DALTON TRANSACTIONS 47 ( 13 ) 4661 - 4671 2018年04月07日

ISSN: 1477-9226

DOI
Synthesis and Structure of a Propeller-Shaped Polycyclic Aromatic Hydrocarbon Containing Seven-Membered Rings

Kawai, K; Kato, K; Peng, LQ; Segawa, Y; Scott, LT; Itami, K

ORGANIC LETTERS 20 ( 7 ) 1932 - 1935 2018年04月06日

ISSN: 1523-7060

DOI
Adsorption of Kinetic Hydrate Inhibitors on Growing Surfaces: A Molecular Dynamics Study

Yagasaki, T; Matsumoto, M; Tanaka, H

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 13 ) 3396 - 3406 2018年04月05日

ISSN: 1520-6106

DOI
Free-Energy Analysis of Peptide Binding in Lipid Membrane Using All-Atom Molecular Dynamics Simulation Combined with Theory of Solutions

Mizuguchi, T; Matubayasi, N

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 13 ) 3219 - 3229 2018年04月05日

ISSN: 1520-6106

DOI
Diazadibora[1.1.1.1]m,p,m,p-cyclophanes: Ambipolar Conjugated Macrocycles with Different B--N Embedded Patterns

Ito, A; Uebe, M; Kurata, R; Yano, S; Fueno, H; Matsumoto, T

CHEMISTRY-AN ASIAN JOURNAL 13 ( 7 ) 754 - 760 2018年04月04日

ISSN: 1861-4728

DOI
High brightness energetic pulses delivered by compact microchip-MOPA system

Yahia, V; Taira, T

OPTICS EXPRESS 26 ( 7 ) 8609 - 8618 2018年04月02日

ISSN: 1094-4087

DOI
Crystal structure and physical properties of radical cation salt based on 4,5-ethylenedioxy-4′-iodotetrathiafulvalene (EDO-TTF-I) with iodine bonding ability

Nakano, Y; Takahashi, Y; Ishida, K; Ishikawa, M; Yamochi, H; Uruichi, M

MATERIALS CHEMISTRY FRONTIERS 2 ( 4 ) 752 - 759 2018年04月01日

DOI
Intra-electron transfer induced by protonation in copper-containing nitrite reductase

Lintuluoto, M; Lintuluoto, JM

METALLOMICS 10 ( 4 ) 565 - 578 2018年04月01日

ISSN: 1756-5901

DOI
Theoretical study on the gigantic effect of external static electric field application on the nonlinear optical properties of 1,2,3,5-dithiadiazolyl π-radical dimers

Matsui, H; Yamane, M; Tonami, T; Nagami, T; Watanabe, K; Kishi, R; Kitagawa, Y; Nakano, M

MATERIALS CHEMISTRY FRONTIERS 2 ( 4 ) 785 - 790 2018年04月01日

DOI
Acceleration of metal-atom diffusion in electric field at metal/insulator interfaces: First-principles study

Nagasawa, R; Asayama, Y; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 4 ) 2018年04月

ISSN: 0021-4922

DOI
Backbone 1H, 13C, and 15N assignments of the extracellular region of human Fcγ receptor IIIb

Yogo, R; Yanaka, S; Kato, K

BIOMOLECULAR NMR ASSIGNMENTS 12 ( 1 ) 201 - 204 2018年04月

ISSN: 1874-2718

DOI
CAPLIB: A New Program Library for the Modeling and Analysis of Icosahedrally Symmetric Viral Capsids

Yoneda, S; Hara-Yamada, Y; Kosugi, A; Nanao, M; Saito, T; Sato, S; Yamada, N; Watanabe, G

ACS OMEGA 3 ( 4 ) 4458 - 4465 2018年04月

ISSN: 2470-1343

DOI
Catalytic Role of H2O Molecules in Oxidation of CH3OH in Water

Inaba, S

CATALYSTS 8 ( 4 ) 2018年04月

DOI
Complexation of Anion-responsive π-Electronic System with Alkyl-substituted Azobenzene Carboxylate Providing Ion-pairing Assemblies

Yamakado, R; Hara, M; Nagano, S; Seki, T; Maeda, H

CHEMISTRY LETTERS 47 ( 4 ) 404 - 407 2018年04月

ISSN: 0366-7022

DOI
Computational molecular spectroscopy of (X)over-tilde 2Π NCS: Electronic properties and ro-vibrationally averaged structure

Hirano, T; Nagashima, U; Jensen, P

JOURNAL OF MOLECULAR SPECTROSCOPY 346 4 - 12 2018年04月

ISSN: 0022-2852

DOI
Dihydride Iron Complex Bearing a Silyl-Tethered Cyclopentadienyl Ligand

Kamitani, M; Nishiguchi, Y; Itazaki, M; Nakazawa, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 ( 4 ) 588 - 593 2018年04月

ISSN: 0009-2673

DOI
Effect of trap-assisted recombination on open-circuit voltage loss in phthalocyanine/fullerene solar cells

Shintaku, N; Hiramoto, M; Izawa, S

ORGANIC ELECTRONICS 55 69 - 74 2018年04月

ISSN: 1566-1199

DOI
Geometric Isomerism and Redox Properties of Ruthenium(II/III) Complexes with 3-Hydroxypicolinamide

Mitsuhashi, R; Suzuki, T; Mikuriya, M

CHEMISTRY LETTERS 47 ( 4 ) 479 - 482 2018年04月

ISSN: 0366-7022

DOI
Imaging Chirality of Optical Fields near Achiral Metal Nanostructures Excited with Linearly Polarized Light

Hashiyada, S; Narushima, T; Okamoto, H

ACS PHOTONICS 5 ( 4 ) 1486 - 1492 2018年04月

ISSN: 2330-4022

DOI
Reaction mechanisms at 4H-SiC/SiO2 interface during wet SiC oxidation

Akiyama, T; Hori, S; Nakamura, K; Ito, T; Kageshima, H; Uematsu, M; Shiraishi, K

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 4 ) 2018年04月

ISSN: 0021-4922

DOI
Reliable absorbance measurement of liquid samples in soft X-ray absorption spectroscopy in transmission mode

Nagasaka, M; Yuzawa, H; Horigome, T; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 224 93 - 99 2018年04月

ISSN: 0368-2048

DOI
Theoretical Study of Solvent Effects on the Helical Inversion of ortho-Phenylene Derivatives

Muraoka, A; Kiwaki, H

CHEMISTRY LETTERS 47 ( 4 ) 487 - 489 2018年04月

ISSN: 0366-7022

DOI
Thermoelectric and Thermal Transport Properties in Sumanene Crystals

Kojima, H; Nakagawa, M; Abe, R; Fujiwara, F; Yakiyama, Y; Sakurai, H; Nakamura, M

CHEMISTRY LETTERS 47 ( 4 ) 524 - 527 2018年04月

ISSN: 0366-7022

DOI
Triazasumanene: An Isoelectronic Heteroanalogue of Sumanene

Tan, QT; Kaewmati, P; Higashibayashi, S; Kawano, M; Yakiyama, Y; Sakurai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 ( 4 ) 531 - 537 2018年04月

ISSN: 0009-2673

DOI
Triple Helicene Cage: Three-Dimensional π-Conjugated Chiral Cage with Six [5]Helicene Units

Matsushima, T; Kikkawa, S; Azumaya, I; Watanabe, S

CHEMISTRYOPEN 7 ( 4 ) 278 - 281 2018年04月

ISSN: 2191-1363

DOI
Ultrabright narrow-band telecom two-photon source for long-distance quantum communication

Niizeki, K; Ikeda, K; Zheng, MY; Xie, XP; Okamura, K; Takei, N; Namekata, N; Inoue, S; Kosaka, H; H … 全著者表示

APPLIED PHYSICS EXPRESS 11 ( 4 ) 2018年04月

ISSN: 1882-0778

DOI
Theoretical Study on Third-Order Nonlinear Optical Property of One-Dimensional Cyclic Thiazyl Radical Aggregates: Intermolecular Distance, Open-Shell Nature, and Spin State Dependences

Matsui, H; Yamane, M; Tonami, T; Nakano, M; de Wergifosse, M; Seidler, T; Champagne, B

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 12 ) 6779 - 6785 2018年03月29日

ISSN: 1932-7447

DOI
Computational analysis for selectivity of histone deacetylase inhibitor by replica-exchange umbrella sampling molecular dynamics simulations

Tsukamoto, S; Sakae, Y; Itoh, Y; Suzuki, T; Okamoto, Y

JOURNAL OF CHEMICAL PHYSICS 148 ( 12 ) 2018年03月28日

ISSN: 0021-9606

DOI
Systematic exploitation of thermotropic bicontinuous cubic phase families from 1,2-bis(aryloyl)hydrazine-based molecules

Kutsumizu, S; Yamada, Y; Sugimoto, T; Yamada, N; Udagawa, T; Miwa, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 12 ) 7953 - 7961 2018年03月28日

ISSN: 1463-9076

DOI
Correlation between Electronic Shell Structure and Inertness of Cun+ toward O2 Adsorption at n=15, 21, 41, and 49

Ohshimo, K; Akimoto, K; Ogawa, M; Iwasaki, W; Yamamoto, H; Tona, M; Tsukamoto, K; Nakano, M; Misaiz … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 122 ( 11 ) 2927 - 2932 2018年03月22日

ISSN: 1089-5639

DOI
Gauge-origin independent formalism of two-component relativistic framework based on unitary transformation in nuclear magnetic shielding constant

Hayami, M; Seino, J; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 148 ( 11 ) 2018年03月21日

ISSN: 0021-9606

DOI
Poly(meta-phenylene oxides) for the design of a tunable, efficient, and reusable catalytic platform

Hudson, R; Zhang, HR; LoTemplio, A; Benedetto, G; Hamasaka, G; Yamada, YMA; Katz, JL; Uozumi, Y

CHEMICAL COMMUNICATIONS 54 ( 23 ) 2878 - 2881 2018年03月21日

ISSN: 1359-7345

DOI
Sumanene derivatives functionalized at the internal carbon (vol 53, pg 697, 2017)

Ngamsomprasert, N; Dang, JS; Higashibayashi, S; Yakiyama, Y; Sakurai, H

CHEMICAL COMMUNICATIONS 54 ( 22 ) 2812 - 2812 2018年03月18日

ISSN: 1359-7345

DOI
Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements

Shibahara, F; Suzuki, M; Kubota, S; Fukunaga, T; Udagawa, T; Murai, T

JOURNAL OF ORGANIC CHEMISTRY 83 ( 6 ) 3078 - 3089 2018年03月16日

ISSN: 0022-3263

DOI
Do Surfaces of Positive Electrostatic Potential on Different Halogen Derivatives in Molecules Attract? Like Attracting Like!

Varadwaj, A; Varadwaj, PR; Yamashita, K

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 7 ) 343 - 350 2018年03月15日

ISSN: 0192-8651

DOI
Doping for Controlling Open-Circuit Voltage in Organic Solar Cells

Shintaku, N; Hiramoto, M; Izawa, S

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 10 ) 5248 - 5253 2018年03月15日

ISSN: 1932-7447

DOI
Quantitative Analysis of Solid-State Homonuclear Correlation Spectra of Antiparallel β-Sheet Alanine Tetramers

Naito, A; Okushita, K; Nishimura, K; Boutis, GS; Aoki, A; Asakura, T

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 10 ) 2715 - 2724 2018年03月15日

ISSN: 1520-6106

DOI
Binding free energy analysis of protein-protein docking model structures by evERdock

Takemura, K; Matubayasi, N; Kitao, A

JOURNAL OF CHEMICAL PHYSICS 148 ( 10 ) 2018年03月14日

ISSN: 0021-9606

DOI
Electronic structure of dipeptides in the gas-phase and as an adsorbed monolayer

Guo, CL; Sarkar, S; Refaely-Abramson, S; Egger, DA; Bendikov, T; Yonezawa, K; Suda, Y; Yamaguchi, T … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 10 ) 6860 - 6867 2018年03月14日

ISSN: 1463-9076

DOI
Nrf2 activation attenuates genetic endoplasmic reticulum stress induced by a mutation in the phosphomannomutase 2 gene in zebrafish

Mukaigasa, K; Tsujita, T; Nguyen, VT; Li, L; Yagi, H; Fuse, Y; Nakajima-Takagi, Y; Kato, K; Yamamot … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 115 ( 11 ) 2758 - 2763 2018年03月13日

ISSN: 0027-8424

DOI
Small Carbon Nano-Onions: An Ion Mobility Mass Spectrometric Study

Moriyama, R; Wu, JWJ; Nakano, M; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 9 ) 5195 - 5200 2018年03月08日

ISSN: 1932-7447

DOI
Theoretical Analysis of Carrier Ion Diffusion in Superconcentrated Electrolyte Solutions for Sodium-Ion Batteries

Okoshi, M; Chou, CP; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 9 ) 2600 - 2609 2018年03月08日

ISSN: 1520-6106

DOI
Connecting thermodynamic and dynamical anomalies of water-like liquid-liquid phase transition in the Fermi-Jagla model

Higuchi, S; Kato, D; Awaji, D; Kim, K

JOURNAL OF CHEMICAL PHYSICS 148 ( 9 ) 2018年03月07日

ISSN: 0021-9606

DOI
Orbital-specific electronic interaction in crystalline films of iron phthalocyanine grown on Au(111) probed by angle-resolved photoemission spectroscopy

Yamane, H; Carlier, A; Kosugi, N

MATERIALS CHEMISTRY FRONTIERS 2 ( 3 ) 609 - 614 2018年03月01日

DOI
Ambient Pressure Hard X-ray Photoelectron Spectroscopy for Functional Material Systems as Fuel Cells under Working Conditions

Takagi, Y; Uruga, T; Tada, M; Iwasawa, Y; Yokoyama, T

ACCOUNTS OF CHEMICAL RESEARCH 51 ( 3 ) 719 - 727 2018年03月

ISSN: 0001-4842

DOI
Computational spectroscopy of NCS in the Renner-degenerate electronic state (X)over-tilde2Π

Freund, J; Kempf, SCG; Jensen, P; Nagashima, U; Hirano, T

JOURNAL OF MOLECULAR SPECTROSCOPY 345 31 - 38 2018年03月

ISSN: 0022-2852

DOI
Electrochemistry of Polyoxometalates: From Fundamental Aspects to Applications

Ueda, T

CHEMELECTROCHEM 5 ( 6 ) 823 - 838 2018年03月

ISSN: 2196-0216

DOI
Molecular design for efficient singlet fission

Ito, S; Nagami, T; Nakano, M

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS 34 85 - 120 2018年03月

ISSN: 1389-5567

DOI
Optical studies on the conversion from Ag+ to Ag- centers by the electrolytic coloration in NaCl and KCl crystals

Kawai, T; Hirai, T; Bando, K

OPTICAL MATERIALS 77 30 - 33 2018年03月

ISSN: 0925-3467

DOI
Organic phase-transition transistor with strongly correlated electrons

Yamamoto, HM; Suda, M; Kawasugi, Y

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 3 ) 2018年03月

ISSN: 0021-4922

DOI
Oxygen Reduction Reaction Catalyzed by Small Gold Cluster on h-BN/Au(111) Support

Lyalin, A; Uosaki, K; Taketsugu, T

ELECTROCATALYSIS 9 ( 2 ) 182 - 188 2018年03月

ISSN: 1868-2529

DOI
Primary Formation Path of Formaldehyde in Hydrothermal Vents

Inaba, S

ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES 48 ( 1 ) 1 - 22 2018年03月

ISSN: 0169-6149

DOI
Quantum Chemical Design Guidelines for Absorption and Emission Color Tuning of fac-Ir(ppy)3 Complexes

Natori, Y; Kitagawa, Y; Aoki, S; Teramoto, R; Tada, H; Era, I; Nakano, M

MOLECULES 23 ( 3 ) 2018年03月

DOI
Selective conversion of ethanol to 1,3-butadiene using germanium talc as catalyst

Akiyama, S; Miyaji, A; Hayashi, Y; Hiza, M; Sekiguchi, Y; Koyama, T; Shiga, A; Baba, T

JOURNAL OF CATALYSIS 359 184 - 197 2018年03月

ISSN: 0021-9517

DOI
Nickel-catalyzed coupling reaction of alkyl halides with aryl Grignard reagents in the presence of 1,3-butadiene: mechanistic studies of four-component coupling and competing cross-coupling reactions

Iwasaki, T; Fukuoka, A; Yokoyama, W; Min, X; Hisaki, I; Yang, T; Ehara, M; Kuniyasu, H; Kambe, N

CHEMICAL SCIENCE 9 ( 8 ) 2195 - 2211 2018年02月28日

ISSN: 2041-6520

DOI
Synthesis and reactivity of [M(η3-allyl)(η2-amidinato) (CO)2(phosphonium ylide)] (M = Mo, W): Investigation of the ligand properties of phosphonium ylides

Takaki, D; Ogata, K; Kurihara, Y; Ueda, K; Hashimoto, T; Yamaguchi, Y

INORGANICA CHIMICA ACTA 471 310 - 315 2018年02月24日

ISSN: 0020-1693

DOI
Synthesis of armchair graphene nanoribbons from the 10,10′-dibromo-9,9′-bianthracene molecules on Ag(111): the role of organometallic intermediates

Simonov, KA; Generalov, AV; Vinogradov, AS; Svirskiy, GI; Cafolla, AA; McGuinness, C; Taketsugu, T; … 全著者表示

SCIENTIFIC REPORTS 8 2018年02月22日

ISSN: 2045-2322

DOI
Time-Dependent Density Functional Theory Study on Higher Low-Lying Excited States of Au25(SR)18-

Ebina, M; Iwasa, T; Harabuchi, Y; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 7 ) 4097 - 4104 2018年02月22日

ISSN: 1932-7447

DOI
A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes

Kimura, S; Tanushi, A; Kusamoto, T; Kochi, S; Sato, T; Nishihara, H

CHEMICAL SCIENCE 9 ( 7 ) 1996 - 2007 2018年02月21日

ISSN: 2041-6520

DOI
Synthesis, structure and N-N bonding character of 1,1-disubstituted indazolium hexafluorophosphate

Ning, YT; Kawahata, M; Yamaguchi, K; Otani, Y; Ohwada, T

CHEMICAL COMMUNICATIONS 54 ( 15 ) 1881 - 1884 2018年02月21日

ISSN: 1359-7345

DOI
Benzonorcorrole NiII Complexes: Enhancement of Paratropic Ring Current and Singlet Diradical Character by Benzo-Fusion

Yoshida, T; Takahashi, K; Ide, Y; Kishi, R; Fujiyoshi, J; Lee, S; Hiraoka, Y; Kim, D; Nakano, M; Ik … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 57 ( 8 ) 2209 - 2213 2018年02月19日

ISSN: 1433-7851

DOI
Preparation, Characterization and Reactivity of a Bis-hypochlorite Adduct of a Chiral Manganese(IV) Salen Complex

Araki, I; Fukui, K; Fujii, H

INORGANIC CHEMISTRY 57 ( 4 ) 1685 - 1688 2018年02月19日

ISSN: 0020-1669

DOI
Synthesis of amorphous Fe2O3/RGO composite and its application to photoinduced hydrogen evolution

Sera, Y; Horibe, T; Isobe, K; Yamashita, E; Hashimoto, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 353 631 - 638 2018年02月15日

ISSN: 1010-6030

DOI
C-H Arylation of Phenanthrene with Trimethylphenylsilane by Pd/o-Chloranil Catalysis: Computational Studies on the Mechanism, Regioselectivity, and Role of o-Chloranil

Shibata, M; Ito, H; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 140 ( 6 ) 2196 - 2205 2018年02月14日

ISSN: 0002-7863

DOI
Local thermal expansions and lattice strains in Elinvar and stainless steel alloys

Yokoyama, T; Koide, A; Uemura, Y

PHYSICAL REVIEW MATERIALS 2 ( 2 ) 2018年02月13日

ISSN: 2475-9953

DOI
Site-specific N-glycosylation analysis of soluble Fcγ receptor IIIb in human serum

Yagi, H; Takakura, D; Roumenina, LT; Fridman, WH; Sautès-Fridman, C; Kawasaki, N; Kato, K

SCIENTIFIC REPORTS 8 2018年02月09日

ISSN: 2045-2322

DOI
"In situ" observation of the role of chloride ion binding to monkey green sensitive visual pigment by ATR-FTIR spectroscopy

Katayama, K; Furutani, Y; Iwaki, M; Fukuda, T; Imai, H; Kandori, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3381 - 3387 2018年02月07日

ISSN: 1463-9076

DOI
A theoretical study on the size-dependence of ground-state proton transfer in phenol-ammonia clusters

Shimizu, T; Hashimoto, K; Hada, M; Miyazaki, M; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3265 - 3276 2018年02月07日

ISSN: 1463-9076

DOI
Computational study on the luminescence quantum yields of terbium complexes with 2,2'-bipyridine derivative ligands

Hatanaka, M; Osawa, A; Wakabayashi, T; Morokuma, K; Hasegawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3328 - 3333 2018年02月07日

ISSN: 1463-9076

DOI
Fundamental peak disappears upon binding of a noble gas: a case of the vibrational spectrum of PtCO in an argon matrix

Ono, Y; Yagi, K; Takayanagi, T; Taketsugu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3296 - 3302 2018年02月07日

ISSN: 1463-9076

DOI
Intermolecular charge fluxes and far-infrared spectral intensities of liquid formamide

Torii, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3029 - 3039 2018年02月07日

ISSN: 1463-9076

DOI
Origins of biological function in DNA and RNA hairpin loop motifs from replica exchange molecular dynamics simulation

Swadling, JB; Ishii, K; Tahara, T; Kitao, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 2990 - 3001 2018年02月07日

ISSN: 1463-9076

DOI
Rate constants, processivity, and productive binding ratio of chitinase A revealed by single-molecule analysis

Nakamura, A; Tasaki, T; Okuni, Y; Song, CH; Murata, K; Kozai, T; Hara, M; Sugimoto, H; Suzuki, K; W … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3010 - 3018 2018年02月07日

ISSN: 1463-9076

DOI
Rate constants, processivity, and productive binding ratio of chitinase A revealed by single-molecule analysis (vol 20, pg 3010, 2018)

Nakamura, A; Tasaki, T; Okuni, Y; Song, C; Murata, K; Kozai, T; Hara, M; Sugimoto, H; Suzuki, K; Wa … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3844 - 3844 2018年02月07日

ISSN: 1463-9076

DOI
Real-time observation of the photoionization-induced water rearrangement dynamics in the 5-hydroxyindole-water cluster by time-resolved IR spectroscopy

Miyazaki, M; Naito, A; Ikeda, T; Klyne, J; Sakota, K; Sekiya, H; Dopfer, O; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3079 - 3091 2018年02月07日

ISSN: 1463-9076

DOI
Selective resonance Raman enhancement of large amplitude inter-ring vibrations of [34](1,2,4,5) cyclophane radical cation; a model of p-stacked dimer radical ions

Okajima, H; Shinmyozu, T; Sakamoto, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3395 - 3402 2018年02月07日

ISSN: 1463-9076

DOI
Solid state vibrational circular dichroism towards molecular recognition: chiral metal complexes intercalated in a clay mineral

Sato, H; Tamura, K; Takimoto, K; Yamagishi, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3141 - 3147 2018年02月07日

ISSN: 1463-9076

DOI
Structure and dynamics of solvent molecules inside the polytheonamide B channel in different environments: a molecular dynamics study

Kalathingal, M; Sumikama, T; Mori, T; Oiki, S; Saito, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3334 - 3348 2018年02月07日

ISSN: 1463-9076

DOI
Synthesis and properties of [7] helicene and [7] helicene-like compounds with a cyclopenta[1,2-b: 4,3-b'] dithiophene or dithieno[2,3-b: 3',2'-d] heterole skeleton

Uematsu, K; Noguchi, K; Nakano, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3286 - 3295 2018年02月07日

ISSN: 1463-9076

DOI
The critical role of dimer formation in monosaccharides binding to human serum albumin

Pongprayoon, P; Mori, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3249 - 3257 2018年02月07日

ISSN: 1463-9076

DOI
Visualizing rotational wave functions of electronically excited nitric oxide molecules by using an ion imaging technique

Mizuse, K; Chizuwa, N; Ikeda, D; Imajo, T; Ohshima, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 5 ) 3303 - 3309 2018年02月07日

ISSN: 1463-9076

DOI
Dimeric Structure of the Blue Light Sensor Protein Photozipper in the Active State

Ozeki, K; Tsukuno, H; Nagashima, H; Hisatomi, O; Mino, H

BIOCHEMISTRY 57 ( 5 ) 494 - 497 2018年02月06日

ISSN: 0006-2960

DOI
Protein Dynamics of the Sensor Protein HemAT as Probed by Time-Resolved Step-Scan FTIR Spectroscopy

Pavlou, A; Yoshimura, H; Aono, S; Pinakoulaki, E

BIOPHYSICAL JOURNAL 114 ( 3 ) 584 - 591 2018年02月06日

ISSN: 0006-3495

DOI
Strong Hydrogen Bonds at the Interface between Proton-Donating and -Accepting Self-Assembled Monolayers on Au(111)

Kato, HS; Yoshimoto, S; Ueda, A; Yamamoto, S; Kanematsu, Y; Tachikawa, M; Mori, H; Yoshinobu, J; Ma … 全著者表示

LANGMUIR 34 ( 5 ) 2189 - 2197 2018年02月06日

ISSN: 0743-7463

DOI
Tunability of Open-Shell Character, Charge Asymmetry, and Third-Order Nonlinear Optical Properties of Covalently Linked (Hetero)Phenalenyl Dimers

Minamida, Y; Kishi, R; Fukuda, K; Matsui, H; Takamuku, S; Yamane, M; Tonami, T; Nakano, M

CHEMISTRY-A EUROPEAN JOURNAL 24 ( 8 ) 1913 - 1921 2018年02月06日

ISSN: 0947-6539

DOI
Polyoxometalate-Assisted, One-Pot Synthesis of Pentakis[(triphenylphosphane)gold]ammonium(2+) Cation Containing Regular Trigonal-Bipyramidal Geometries of Five Bonds to Nitrdogen

Nomiya, K; Endo, K; Murata, Y; Sato, S; Shimazaki, S; Horie, S; Nagashima, E; Yasuda, Y; Yoshida, T … 全著者表示

INORGANIC CHEMISTRY 57 ( 3 ) 1504 - 1516 2018年02月05日

ISSN: 0020-1669

DOI
Development of a framework catalyst for photocatalytic hydrogen evolution

Chinapang, P; Okamura, M; Itoh, T; Kondo, M; Masaoka, S

CHEMICAL COMMUNICATIONS 54 ( 10 ) 1174 - 1177 2018年02月04日

ISSN: 1359-7345

DOI
Radioluminescence and thermally-stimulated luminescence properties of Pr:CaSiO3 crystals

Nakauchi, D; Okada, G; Koshimizu, M; Kawaguchi, N; Yanagida, T

PHYSICA B-CONDENSED MATTER 530 38 - 42 2018年02月01日

ISSN: 0921-4526

DOI
Size effects on supercooling phenomena in strongly correlated electron systems: IrTe2 and θ-(BEDT-TTF)2RbZn(SCN)4

Oike, H; Suda, M; Kamitani, M; Ueda, A; Mori, H; Tokura, Y; Yamamoto, HM; Kagawa, F

PHYSICAL REVIEW B 97 ( 8 ) 2018年02月01日

ISSN: 2469-9950

DOI
Biophysical exploration of dynamical ordering of biomolecular systems

Kato, K

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1862 ( 2 ) 211 - 211 2018年02月

ISSN: 0304-4165

DOI
Current status of single-walled carbon nanotube synthesis from metal catalysts by chemical vapor deposition

Maruyama, T

MATERIALS EXPRESS 8 ( 1 ) 1 - 20 2018年02月

ISSN: 2158-5849

DOI
Effects of lattice constraint on structures and electronic properties of BAlN and BGaN alloys: A first-principles study

Akiyama, T; Nakamura, K; Ito, T

APPLIED PHYSICS EXPRESS 11 ( 2 ) 2018年02月

ISSN: 1882-0778

DOI
Electronically excited states of carbazole-modified ortho-phenylenes

Muraoka, A; Fukabori, N

CHEMICAL PHYSICS LETTERS 693 95 - 100 2018年02月

ISSN: 0009-2614

DOI
Luminescence properties of organic-inorganic layered perovskite-type compounds under vacuum ultraviolet irradiation

Kawano, N; Koshimizu, M; Okada, G; Fujimoto, Y; Kawaguchi, N; Yanagida, T; Asai, K

JAPANESE JOURNAL OF APPLIED PHYSICS 57 ( 2 ) 2018年02月

ISSN: 0021-4922

DOI
Quantum valence criticality in a correlated metal

Kuga, K; Matsumoto, Y; Okawa, M; Suzuki, S; Tomita, T; Sone, K; Shimura, Y; Sakakibara, T; Nishio-H … 全著者表示

SCIENCE ADVANCES 4 ( 2 ) 2018年02月

ISSN: 2375-2548

DOI
Quaternary Alkyl Ammonium Salt-Catalyzed Transformation of Glycidol to Glycidyl Esters by Transesterification of Methyl Esters

Tanaka, S; Nakashima, T; Maeda, T; Ratanasak, M; Hasegawa, JY; Kon, Y; Tamura, M; Sato, K

ACS CATALYSIS 8 ( 2 ) 1097 - 1103 2018年02月

ISSN: 2155-5435

DOI
Single-molecule imaging and manipulation of biomolecular machines and systems

Iino, R; Iida, T; Nakamura, A; Saita, E; You, HJ; Sako, Y

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1862 ( 2 ) 241 - 252 2018年02月

ISSN: 0304-4165

DOI
Solution NMR views of dynamical ordering of biomacromolecules

Ikeya, T; Ban, D; Lee, D; Ito, Y; Kato, K; Griesinger, C

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1862 ( 2 ) 287 - 306 2018年02月

ISSN: 0304-4165

DOI
Super-Resolution Trapping: A Nanoparticle Manipulation Using Nonlinear Optical Response

Hoshina, M; Yokoshi, N; Okamoto, H; Ishihara, H

ACS PHOTONICS 5 ( 2 ) 318 - 323 2018年02月

ISSN: 2330-4022

DOI
Synthetic Approach to biomolecular science by cyborg supramolecular chemistry

Kurihara, K; Matsuo, M; Yamaguchi, T; Sato, S

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1862 ( 2 ) 358 - 364 2018年02月

ISSN: 0304-4165

DOI
Theoretical approaches for dynamical ordering of biomolecular systems

Okumura, H; Higashi, M; Yoshida, Y; Sato, H; Akiyama, R

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1862 ( 2 ) 212 - 228 2018年02月

ISSN: 0304-4165

DOI
Theoretical double-core-hole spectroscopy of cytosine tautomers

Takahashi, O

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 223 72 - 78 2018年02月

ISSN: 0368-2048

DOI
XANES spectra of forsterite in crystal, surface, and amorphous states

Takahashi, O; Tamenori, Y; Suenaga, T; Ikeda-Fukazawa, T; Matsuno, J; Tsuchiyama, A

AIP ADVANCES 8 ( 2 ) 2018年02月

ISSN: 2158-3226

DOI
Luminescence and Single-Molecule-Magnet Behaviour in Lanthanide Coordination Complexes Involving Benzothiazole-Based Tetrathiafulvalene Ligands

Kishi, Y; Cornet, L; Pointillart, F; Riobé, F; Lefeuvre, B; Cador, O; Le Guennic, B; Maury, O; Fuji … 全著者表示

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 3-4 ) 458 - 468 2018年01月31日

ISSN: 1434-1948

DOI
Density functional study of porphyrin distortion effects on redox potential of heme

Imada, Y; Nakamura, H; Takano, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 3 ) 143 - 150 2018年01月30日

ISSN: 0192-8651

DOI
Special issue on addressing many-body problems with cold atoms and molecules

Ohmori, K; Pupillo, G; Thywissen, JH; Weidemüller, M

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 51 ( 2 ) 2018年01月28日

ISSN: 0953-4075

DOI
A Quintuple [6]Helicene with a Corannulene Core as a C5-Symmetric Propeller-Shaped π-System

Kato, K; Segawa, Y; Scott, LT; Itami, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 57 ( 5 ) 1337 - 1341 2018年01月26日

ISSN: 1433-7851

DOI
Revealing the Chemistry between Band Gap and Binding Energy for Lead-/Tin-Based Trihalide Perovskite Solar Cell Semiconductors

Varadwaj, A; Varadwaj, PR; Yamashita, K

CHEMSUSCHEM 11 ( 2 ) 449 - 463 2018年01月23日

ISSN: 1864-5631

DOI
Analyses of trajectory on-the-fly based on the global reaction route map

Tsutsumi, T; Harabuchi, Y; Ono, Y; Maeda, S; Taketsugu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 3 ) 1364 - 1372 2018年01月21日

ISSN: 1463-9076

DOI
Field-, strain- and light-induced superconductivity in organic strongly correlated electron systems

Suda, M; Yamamoto, HM

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 3 ) 1321 - 1331 2018年01月21日

ISSN: 1463-9076

DOI
Quantum fluctuations of a fullerene cage modulate its internal magnetic environment

Kawatsu, T; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 3 ) 1673 - 1684 2018年01月21日

ISSN: 1463-9076

DOI
Mechanistic insights into water adsorption and dissociation on amorphous TiO2-based catalysts

Ghuman, KK

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS 19 ( 1 ) 44 - 52 2018年01月19日

ISSN: 1468-6996

DOI
Role of subcortical structures on cognitive and social function in schizophrenia

Koshiyama, D; Fukunaga, M; Okada, N; Yamashita, F; Yamamori, H; Yasuda, Y; Fujimoto, M; Ohi, K; Fuj … 全著者表示

SCIENTIFIC REPORTS 8 2018年01月19日

ISSN: 2045-2322

DOI
Parallel Implementation of Efficient Charge-Charge Interaction Evaluation Scheme in Periodic Divide-and-Conquer Density-Functional Tight-Binding Calculations

Nishimura, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 2 ) 105 - 116 2018年01月15日

ISSN: 0192-8651

DOI
Morphology control in polymerised high internal phase emulsion templated via macro-RAFT agent composition: visualizing surface chemistry

Khodabandeh, A; Arrua, RD; Coad, BR; Rodemann, T; Ohigashi, T; Kosugi, N; Thickett, SC; Hilder, EF

POLYMER CHEMISTRY 9 ( 2 ) 213 - 220 2018年01月14日

ISSN: 1759-9954

DOI
Real-time monitoring for reforming processes of liquid hydrocarbon fuel-air pre-mixtures by non-thermal plasmas using ion attachment mass spectrometry

Asakawa, D; Kuramochi, A; Takahashi, E; Saito, N

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 ( 2 ) 1082 - 1090 2018年01月14日

ISSN: 1463-9076

DOI
Synthesis of thieno[2,3-b]quinoline and selenopheno[2,3-b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study

Sonawane, AD; Garud, DR; Udagawa, T; Koketsu, M

ORGANIC & BIOMOLECULAR CHEMISTRY 16 ( 2 ) 245 - 255 2018年01月14日

ISSN: 1477-0520

DOI
Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approach

Yoshida, N; Higashi, M; Motoki, H; Hirota, S

JOURNAL OF CHEMICAL PHYSICS 148 ( 2 ) 2018年01月14日

ISSN: 0021-9606

DOI
Application of Hydrazine-Embedded Heterocyclic Compounds to High Voltage Rechargeable Lithium Organic Batteries

Shimizu, T; Yamamoto, K; Pandit, P; Yoshikawa, H; Higashibayashi, S

SCIENTIFIC REPORTS 8 2018年01月12日

ISSN: 2045-2322

DOI
Accuracy of Td-DFT in the Ultraviolet and Circular Dichroism Spectra of Deoxyguanosine and Uridine

Miyahara, T; Nakatsuji, H

JOURNAL OF PHYSICAL CHEMISTRY A 122 ( 1 ) 100 - 118 2018年01月11日

ISSN: 1089-5639

DOI
Cellulose Crystal Dissolution in Imidazolium-Based Ionic Liquids: A Theoretical Study

Uto, T; Yamamoto, K; Kadokawa, J

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 1 ) 258 - 266 2018年01月11日

ISSN: 1520-6106

DOI
Crystallization and Polymorphism of Organic Semiconductor in Thin Film Induced by Surface Segregated Monolayers

Izawa, S; Nakano, K; Suzuki, K; Chen, YJ; Kikitsu, T; Hashizume, D; Koganezawa, T; Nguyen, T; Tajim … 全著者表示

SCIENTIFIC REPORTS 8 2018年01月11日

ISSN: 2045-2322

DOI
Density-Functional Tight-Binding Molecular Dynamics Simulations of Excess Proton Diffusion in Ice Ih , Ice Ic, Ice III, and Melted Ice VI Phases

Sakti, AW; Nishimura, Y; Chou, CP; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY A 122 ( 1 ) 33 - 40 2018年01月11日

ISSN: 1089-5639

DOI
On the Thermodynamic Stability of Clathrate Hydrates VI: Complete Phase Diagram

Tanaka, H; Yagasaki, T; Matsumoto, M

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 1 ) 297 - 308 2018年01月11日

ISSN: 1520-6106

DOI
Strategy for Modeling the Electrostatic Responses of the Spectroscopic Properties of Proteins

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY B 122 ( 1 ) 154 - 164 2018年01月11日

ISSN: 1520-6106

DOI
Twist of C=C Bond Plays a Crucial Role in the Quenching of AIE-Active Tetraphenylethene Derivatives in Solution

Kokado, K; Machida, T; Iwasa, T; Taketsugu, T; Sada, K

JOURNAL OF PHYSICAL CHEMISTRY C 122 ( 1 ) 245 - 251 2018年01月11日

ISSN: 1932-7447

DOI
Analyzing the n-Doping Mechanism of an Air-Stable Small-Molecule Precursor

Schwarze, M; Naab, BD; Tietze, ML; Scholz, R; Pahner, P; Bussolotti, F; Kera, S; Kasemann, D; Bao, … 全著者表示

ACS APPLIED MATERIALS & INTERFACES 10 ( 1 ) 1340 - 1346 2018年01月10日

ISSN: 1944-8244

DOI
Subcortical association with memory performance in schizophrenia: a structural magnetic resonance imaging study

Koshiyama, D; Fukunaga, M; Okada, N; Yamashita, F; Yamamori, H; Yasuda, Y; Fujimoto, M; Ohi, K; Fuj … 全著者表示

TRANSLATIONAL PSYCHIATRY 8 2018年01月10日

ISSN: 2158-3188

DOI
Observation of Dirac-like energy band and ring-torus Fermi surface associated with the nodal line in topological insulator CaAgAs

Takane, D; Nakayama, K; Souma, S; Wada, T; Okamoto, Y; Takenaka, K; Yamakawa, Y; Yamakage, A; Mitsu … 全著者表示

NPJ QUANTUM MATERIALS 3 2018年01月09日

DOI
Interface-induced perpendicular magnetic anisotropy of Co nanoparticles on single-layer h-BN/Pt(111)

Watanabe, T; Yamada, Y; Koide, A; Entani, S; Li, ST; Popov, ZI; Sorokin, PB; Naramoto, H; Sasaki, M … 全著者表示

APPLIED PHYSICS LETTERS 112 ( 2 ) 2018年01月08日

ISSN: 0003-6951

DOI
Contrasting C- and O-Atom Reactivities of Neutral Ketone and Enolate Forms of 3-Sulfonyloxyimino-2-methyl-1-phenyl-1-butanones

Ning, YT; Otani, Y; Ohwada, T

JOURNAL OF ORGANIC CHEMISTRY 83 ( 1 ) 203 - 219 2018年01月05日

ISSN: 0022-3263

DOI
GenIce: Hydrogen-Disordered Ice Generator

Matsumoto, M; Yagasaki, T; Tanaka, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 39 ( 1 ) 61 - 64 2018年01月05日

ISSN: 0192-8651

DOI
Catalytic specificity of linear polystyrene-stabilized Pd nanoparticles during Ullmann coupling reaction in water and the associated mechanism

Ohtaka, A; Sakon, A; Yasui, A; Kawaguchi, T; Hamasaka, G; Uozumi, Y; Shinagawa, T; Shimomura, O; No … 全著者表示

JOURNAL OF ORGANOMETALLIC CHEMISTRY 854 87 - 93 2018年01月01日

ISSN: 0022-328X

DOI
Bending wavefunctions for linear molecules

Hirano, T; Nagashima, U; Jensen, P

JOURNAL OF MOLECULAR SPECTROSCOPY 343 54 - 61 2018年01月

ISSN: 0022-2852

DOI
Characterization of the one-electron oxidized Cu(II)-salen complexes with a side chain aromatic ring: the effect of the indole ring on the Cu(II)-phenoxyl radical species

Oshita, H; Yoshimura, T; Mori, S; Tani, F; Shimazaki, Y; Yamauchi, O

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY 23 ( 1 ) 51 - 59 2018年01月

ISSN: 0949-8257

DOI
Conversion of functionally undefined homopentameric protein PbaA into a proteasome activator by mutational modification of its C-terminal segment conformation

Yagi-Utsumi, M; Sikdar, A; Kozai, T; Inoue, R; Sugiyama, M; Uchihashi, T; Yagi, H; Satoh, T; Kato, K

PROTEIN ENGINEERING DESIGN & SELECTION 31 ( 1 ) 29 - 36 2018年01月

ISSN: 1741-0126

DOI
Definition of Free O-H Groups of Water at the Air-Water Interface

Tang, FJ; Ohto, T; Hasegawa, T; Xie, WJ; Xu, LM; Bonn, M; Nagata, Y

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14 ( 1 ) 357 - 364 2018年01月

ISSN: 1549-9618

DOI
Lewis X-Carrying Neoglycolipids Evoke Selective Apoptosis in Neural Stem Cells

Yagi, H; Yan, GW; Suzuki, T; Tsuge, S; Yamaguchi, T; Kato, K

NEUROCHEMICAL RESEARCH 43 ( 1 ) 212 - 218 2018年01月

ISSN: 0364-3190

DOI
Malachite Green Derivatives for Dye-Sensitized Solar Cells: Optoelectronic Characterizations and Persistence on TiO2

Harlé, JB; Arata, S; Mine, S; Kamegawa, T; Nguyen, VT; Maeda, T; Nakazumi, H; Fujiwara, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91 ( 1 ) 52 - 64 2018年01月

ISSN: 0009-2673

DOI
Nickel (II) pyrrocorphin: Enhanced binding ability in a highly reduced porphyrin complex

Ide, Y; Kuwahara, T; Takeshita, S; Fujishiro, R; Suzuki, M; Mori, S; Shinokubo, H; Nakamura, M; Yos … 全著者表示

JOURNAL OF INORGANIC BIOCHEMISTRY 178 115 - 124 2018年01月

ISSN: 0162-0134

DOI
Protein-Ligand Dissociation Simulated by Parallel Cascade Selection Molecular Dynamics

Tran, DP; Takemura, K; Kuwata, K; Kitao, A

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14 ( 1 ) 404 - 417 2018年01月

ISSN: 1549-9618

DOI
Reaction pathway and H/D kinetic isotope effects of the triple proton transfer in a 7-hydroxyquinoline-methanol complex in the ground state: A computational approach

Mori, Y

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 31 ( 1 ) 2018年01月

ISSN: 0894-3230

DOI
Rigorous pKa Estimation of Amine Species Using Density-Functional Tight-Binding-Based Metadynamics Simulations

Sakti, AW; Nishimura, Y; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14 ( 1 ) 351 - 356 2018年01月

ISSN: 1549-9618

DOI
A Hirshfeld surface analysis, crystal structure, and physicochemical studies of a new Cu(II) complex with the 1,10-phenanthroline ligand

Nbili, W; Kaabi, K; Lefebvre, F; Fujita, W; Jelsch, C; ben Nasr, C

JOURNAL OF COORDINATION CHEMISTRY 71 ( 16-18 ) 2526 - 2539 2018年

ISSN: 0095-8972

DOI
A coarse-grained model of the effective interaction for charged amino acid residues and its application to formation of GCN4-pLI tetramer

Kawaguchi, K; Nakagawa, S; Kurniawan, I; Kodama, K; Arwansyah, MS; Nagao, H

MOLECULAR PHYSICS 116 ( 5-6 ) 649 - 657 2018年

ISSN: 0026-8976

DOI
Active Polarization Control of Optical Fields Localized on Gold Nano-Rectangles

Hashiyada, S; Narushima, T; Okamoto, H

OPTICAL MANIPULATION CONFERENCE 10712 2018年

ISBN: 978-1-5106-1982-1

ISSN: 0277-786X

DOI
An Interpretation for Defect-Induced Structural Transformation in SiC

Ito, T; Akiyama, T; Nakamura, K; Pradipto, AM

SIGE, GE, AND RELATED COMPOUNDS: MATERIALS, PROCESSING, AND DEVICES 8 86 ( 7 ) 427 - 432 2018年

ISBN: 978-1-60768-853-2

ISSN: 1938-5862

DOI
Circular polarization dissymmetry of two-photon-induced photoluminescence from chiral plasmonic nanostructured metasurfaces

Le, KQ; Okamoto, H

OPTICAL MANIPULATION CONFERENCE 10712 2018年

ISBN: 978-1-5106-1982-1

ISSN: 0277-786X

DOI
Crystal structures, and magnetic and thermal properties of basic copper formates with two-dimensional triangular-lattice magnetic networks

Fujita, W

RSC ADVANCES 8 ( 57 ) 32490 - 32496 2018年

ISSN: 2046-2069

DOI
Discrimination of DNA and RNA distribution in a mammalian cell by scanning transmission soft X-ray microscopy

Shinohara, K; Ito, A; Ohigashi, T; Kado, M; Toné, S

JOURNAL OF X-RAY SCIENCE AND TECHNOLOGY 26 ( 6 ) 877 - 884 2018年

ISSN: 0895-3996

DOI
Dynamics of vibrational frequency fluctuations in deuterated liquid ammonia: roles of fluctuating hydrogen bonds and free ND modes

Yadav, VK; Chandra, A

MOLECULAR SIMULATION 44 ( 15 ) 1210 - 1219 2018年

ISSN: 0892-7022

DOI
Electrochemical Properties of Anatase-Type TiO2 Nanoparticles with Different Morphology

Juhasz, G

MULTISCALE MODELING, SIMULATION AND DESIGN - FROM CONVENTIONAL METHODS TO THE LATEST IN DATA SCIENCE 85 ( 5 ) 3 - 10 2018年

ISBN: 978-1-60768-833-4

ISSN: 1938-5862

DOI
Evaluation of Scintillation and Thermally Stimulated Luminescence Properties of Cs2CdCl4 Single Crystals

Sakai, T; Koshimizu, M; Fujimoto, Y; Nakauchi, D; Yanagida, T; Asai, K

SENSORS AND MATERIALS 30 ( 7 ) 1565 - 1575 2018年

ISSN: 0914-4935

DOI
Free Energy Change of Micelle Formation for Sodium Dodecyl Sulfate from a Dispersed State in Solution to Complete Micelles along Its Aggregation Pathways Evaluated by Chemical Species Model Combined with Molecular Dynamics Calculations

Yoshii, N; Komori, M; Kawada, S; Takabayashi, H; Fujimoto, K; Okazaki, S

ACTA PHYSICO-CHIMICA SINICA 34 ( 10 ) 1163 - 1170 2018年

ISSN: 1000-6818

DOI
Frequency-shifted sources for Terahertz-driven linear electron acceleration

Hemmer, M; Cirmi, G; Ravi, K; Ahr, F; Zapata, L; Calendron, AL; Çankaya, H; Jolly, SW; Leroux, V; E … 全著者表示

NONLINEAR FREQUENCY GENERATION AND CONVERSION: MATERIALS AND DEVICES XVII 10516 2018年

ISBN: 978-1-5106-1518-2

ISSN: 0277-786X

DOI
Ganglioside-Mediated Assembly of Amyloid ß-Protein: Roles in Alzheimer's Disease

Matsuzaki, K; Kato, K; Yanagisawa, K

GANGLIOSIDES IN HEALTH AND DISEASE 156 413 - 434 2018年

ISBN: 978-0-12-812341-6

ISSN: 1877-1173

DOI
Generation of 1-MeV quasi-monochromatic gamma-ray for precise measurement of Delbruck scattering by laser Compton scattering

Zen, H; Hayakawa, T; Salehi, E; Fujimoto, M; Shizuma, T; Koga, JK; Kii, T; Katoh, M; Ohgaki, H

9TH INTERNATIONAL PARTICLE ACCELERATOR CONFERENCE (IPAC18) 1067 2018年

ISBN: *****************

ISSN: 1742-6588

DOI
Highly stereoselective spirocyclopropanation of various diazooxindoles with olefins catalyzed using Ru(ii)-complex

Tone, M; Nakagawa, Y; Chanthamath, S; Fujisawa, I; Nakayama, N; Goto, H; Shibatomi, K; Iwasa, S

RSC ADVANCES 8 ( 70 ) 39865 - 39869 2018年

DOI
Nuclear quantum effect and H/D isotope effect on Cl• + (H2O)n → HCl plus OH•(H2O)n-1(n=1-3) reactions

Sugiura, K; Tachikawa, M; Udagawa, T

RSC ADVANCES 8 ( 31 ) 17191 - 17201 2018年

ISSN: 2046-2069

DOI
Reaction mechanism of hydrogen-tritium exchange reactions between several organic and HTO molecules: a role of the second HTO

Udagawa, T; Tachikawa, M

RSC ADVANCES 8 ( 7 ) 3878 - 3888 2018年

DOI
Silicon-coordinated nitrogen-doped graphene as a promising metal-free catalyst for N2O reduction by CO: a theoretical study

Junkaew, A; Namuangruk, S; Maitarad, P; Ehara, M

RSC ADVANCES 8 ( 40 ) 22322 - 22330 2018年

DOI
Structure and Dynamics of Immunoglobulin G Glycoproteins

Yagi, H; Yanaka, S; Kato, K

GLYCOBIOPHYSICS 1104 219 - 235 2018年

ISBN: 978-981-13-2157-3

ISSN: 0065-2598

DOI
Superfluorescence/Superradiance in Helium Following Free-Electron Laser Excitation

Harries, JR; Kuma, S; Iwayama, H; Shigemasa, E

X-RAY LASERS 2016 202 105 - 108 2018年

ISBN: 978-3-319-73024-0

ISSN: 0930-8989

DOI
Synthesis of Flake-shaped [3] Cyclo-4,6-dibenzofuranylene

Higashibayashi, S

CHEMISTRY LETTERS 47 ( 1 ) 95 - 96 2018年

ISSN: 0366-7022

DOI
The effect of duration of illness and antipsychotics on subcortical volumes in schizophrenia: Analysis of 778 subjects

Hashimoto, N; Ito, YM; Okada, N; Yamamori, H; Yasuda, Y; Fujimoto, M; Kudo, N; Takemura, A; Son, S; … 全著者表示

NEUROIMAGE-CLINICAL 17 563 - 569 2018年

ISSN: 2213-1582

DOI
Theoretical study on interaction of cytochrome f and plastocyanin complex by a simple coarse-grained model with molecular crowding effect

Nakagawa, S; Kurniawan, I; Kodama, K; Arwansyah, MS; Kawaguchi, K; Nagao, H

MOLECULAR PHYSICS 116 ( 5-6 ) 666 - 677 2018年

ISSN: 0026-8976

DOI
Visualization of Functional Structure and Kinetic Dynamics of Cellulases

Nakamura, A; Iino, R

GLYCOBIOPHYSICS 1104 201 - 217 2018年

ISBN: 978-981-13-2157-3

ISSN: 0065-2598

DOI
Mining single-electron spectra of the interface states from a supercell band structure of silicene on an Ag(111) substrate with band-unfolding methodology

Iwata, JI; Matsushita, Y; Nishi, H; Guo, ZX; Oshiyama, A

PHYSICAL REVIEW B 96 ( 23 ) 2017年12月29日

ISSN: 2469-9950

DOI
Synthesis, Structures, and Properties of Hexapole Helicenes: Assembling Six [5]Helicene Substructures into Highly Twisted Aromatic Systems

Hosokawa, T; Takahashi, Y; Matsushima, T; Watanabe, S; Kikkawa, S; Azumaya, I; Tsurusaki, A; Kamika … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 51 ) 18512 - 18521 2017年12月27日

ISSN: 0002-7863

DOI
Anionic indabenzene: synthesis and characterization

Nakamura, T; Suzuki, K; Yamashita, M

CHEMICAL COMMUNICATIONS 53 ( 99 ) 13260 - 13263 2017年12月25日

ISSN: 1359-7345

DOI
Near-field spectroscopic investigation of dual-band heavy fermion metamaterials

Corder, SNG; Chen, XH; Zhang, SQ; Hu, FR; Zhang, JW; Luan, YL; Logan, JA; Ciavatti, T; Bechtel, HA; … 全著者表示

NATURE COMMUNICATIONS 8 2017年12月22日

ISSN: 2041-1723

DOI
MgTaO2N Photocatalysts: Perovskite versus Ilmenite Structure. A Theoretical Investigation

Kubo, A; Giorgi, G; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 50 ) 27813 - 27821 2017年12月21日

ISSN: 1932-7447

DOI
Recyclable and efficient polyurethane-Ir catalysts for direct borylation of aromatic compounds

Kimura, A; Hayama, H; Hasegawa, JY; Nageh, H; Wang, Y; Naga, N; Nishida, M; Nakano, T

POLYMER CHEMISTRY 8 ( 47 ) 7406 - 7415 2017年12月21日

ISSN: 1759-9954

DOI
Intramolecular Hydroamination by a Primary Amine of an Unactivated Alkene on Gold Nanoclusters: A DFT Study

Bobuatong, K; Sakurai, H; Ehara, M

CHEMCATCHEM 9 ( 24 ) 4490 - 4500 2017年12月20日

ISSN: 1867-3880

DOI
Hybrid organic-inorganic CH3NH3PbI3 perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design

Varadwaj, A; Varadwaj, PR; Yamashita, K

JOURNAL OF COMPUTATIONAL CHEMISTRY 38 ( 32 ) 2802 - 2818 2017年12月15日

ISSN: 0192-8651

DOI
Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States

Sakamaki, D; Ito, A; Tsutsui, Y; Seki, S

JOURNAL OF ORGANIC CHEMISTRY 82 ( 24 ) 13348 - 13358 2017年12月15日

ISSN: 0022-3263

DOI
Adsorption Forms of NO on Rhn+ (n=6-16) Revealed by Infrared Multiple Photon Dissociation Spectroscopy

Nagata, T; Koyama, K; Kudoh, S; Miyajima, K; Bakker, JM; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 49 ) 27417 - 27426 2017年12月14日

ISSN: 1932-7447

DOI
Aluminabenzene-Rh and -Ir Complexes: Synthesis, Structure, and Application toward Catalytic C-H Borylation

Nakamura, T; Suzuki, K; Yamashita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 49 ) 17763 - 17766 2017年12月13日

ISSN: 0002-7863

DOI
Inorganic Lattice Fluctuation Induces Charge Separation in Lead Iodide Perovskites: Theoretical Insights

Uratani, H; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 48 ) 26648 - 26654 2017年12月07日

ISSN: 1932-7447

DOI
Interaction between Water and Alkali Metal Ions and Its Temperature Dependence Revealed by Oxygen K-Edge X-ray Absorption Spectroscopy

Nagasaka, M; Yuzawa, H; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY B 121 ( 48 ) 10957 - 10964 2017年12月07日

ISSN: 1520-6106

DOI
A Hirshfeld surface analysis, crystal and geometry-optimized structure, and solid state NMR studies of two novel α-hydroxyphosphonates C17H21O4P (I) and C19H25O4P(II)

Essid, I; Soudani, S; Lefebvre, F; Kaminsky, W; Fujita, W; Ben Nasr, C; Touil, S

JOURNAL OF MOLECULAR STRUCTURE 1149 99 - 111 2017年12月05日

ISSN: 0022-2860

DOI
Recognizing Through-Bond and Through-Space Self-Exchange Charge/Spin Transfer Pathways in Bis(triarylamine) Radical Cations with Similar Geometrical Arrangements

Uebe, M; Kazama, T; Kurata, R; Sakamaki, D; Ito, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 49 ) 15712 - 15717 2017年12月04日

ISSN: 1433-7851

DOI
Interaction between disulfide/thiolate mediators and ruthenium complex in dye-sensitized solar cells

Kusama, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 349 207 - 215 2017年12月01日

ISSN: 1010-6030

DOI
Near Infra-Red S0T1 Transitions of Iridium(III) Phthalocyanine: Degeneracy of the T1 State Evidenced by Magnetic Circular Dichroism

Murata, K; Ishii, K

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 44 ) 5103 - 5107 2017年12月01日

ISSN: 1434-1948

DOI
SYNTHESIS AND CRYSTAL STRUCTURE OF 45,85-DI-tert-BUTYL-1,3,5,7(2,5)-TETRAOXADIAZOLA-2,6(2,6)-DIPYRIDINA-4,8(1,3)-DIBENZENACYCLOOCTAPHANE

Ono, K; Karasuda, S; Tomura, M

HETEROCYCLES 94 ( 12 ) 2209 - 2214 2017年12月01日

ISSN: 0385-5414

DOI
Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion

Takagi, K; Ito, K; Yamada, Y; Nakashima, T; Fukuda, R; Ehara, M; Masu, H

JOURNAL OF ORGANIC CHEMISTRY 82 ( 23 ) 12173 - 12180 2017年12月01日

ISSN: 0022-3263

DOI
Functional roles of glycoconjugates in the maintenance of stemness and differentiation process of neural stem cells

Yagi, H; Kato, K

GLYCOCONJUGATE JOURNAL 34 ( 6 ) 757 - 763 2017年12月

ISSN: 0282-0080

DOI
Gas-Phase Stability of Negatively Charged Organophosphate Metabolites Produced by Electrospray Ionization and Matrix-Assisted Laser Desorption/Ionization

Asakawa, D; Mizuno, H; Toyo'oka, T

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 28 ( 12 ) 2561 - 2568 2017年12月

ISSN: 1044-0305

DOI
Preparation of Aryl(dicyclohexyl)phosphines by C-P Bond-Forming Cross-Coupling in Water Catalyzed by an Amphiphilic-Resin-Supported Palladium Complex

Hirai, Y; Uozumi, Y

SYNLETT 28 ( 20 ) 2966 - 2970 2017年12月

ISSN: 0936-5214

DOI
Selective reduction of NO over Cu/Al2O3: Enhanced catalytic activity by infinitesimal loading of Rh on Cu/Al2O3

Hosokawa, S; Matsuki, K; Tamaru, K; Oshino, Y; Aritani, H; Asakura, H; Teramura, K; Tanaka, T

MOLECULAR CATALYSIS 442 74 - 82 2017年12月

ISSN: 2468-8231

DOI
Electronic structure of Cr2AlC as observed by angle-resolved photoemission spectroscopy

Ito, T; Pinek, D; Fujita, T; Nakatake, M; Ideta, SI; Tanaka, K; Ouisse, T

PHYSICAL REVIEW B 96 ( 19 ) 2017年11月30日

ISSN: 2469-9950

DOI
Electrophilic activation of aminocarboxylic acid by phosphate ester promotes Friedel-Crafts acylation by overcoming charge-charge repulsion

Sumita, A; Otani, Y; Ohwada, T

ORGANIC & BIOMOLECULAR CHEMISTRY 15 ( 44 ) 9398 - 9407 2017年11月28日

ISSN: 1477-0520

DOI
Substituent effects in magnesium tetraethynylporphyrin with two diketopyrrolopyrrole units for bulk heterojunction organic solar cells

Ogumi, K; Nakagawa, T; Okada, H; Sakai, R; Wang, H; Matsuo, Y

JOURNAL OF MATERIALS CHEMISTRY A 5 ( 44 ) 23067 - 23077 2017年11月28日

ISSN: 2050-7488

DOI
Synthesis of the Unknown Indeno[1,2-a]fluorene Regioisomer: Crystallographic Characterization of Its Dianion

Dressler, JJ; Zhou, Z; Marshall, JL; Kishi, R; Takamuku, S; Wei, Z; Spisak, SN; Nakano, M; Petrukhi … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 48 ) 15363 - 15367 2017年11月27日

ISSN: 1433-7851

DOI
Triaminotriborane(3): A Homocatenated Boron Chain Connected by B-B Multiple Bonds

Morisako, S; Shang, R; Yamamoto, Y; Matsui, H; Nakano, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 48 ) 15234 - 15240 2017年11月27日

ISSN: 1433-7851

DOI
Randomness-induced quantum spin liquid on honeycomb lattice

Yamaguchi, H; Okada, M; Kono, Y; Kittaka, S; Sakakibara, T; Okabe, T; Iwasaki, Y; Hosokoshi, Y

SCIENTIFIC REPORTS 7 2017年11月23日

ISSN: 2045-2322

DOI
Influences of lone-pair electrons on directionality of hydrogen bonds formed by hydrophilic amino acid side chains in molecular dynamics simulation

Oroguchi, T; Nakasako, M

SCIENTIFIC REPORTS 7 2017年11月20日

ISSN: 2045-2322

DOI
Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate

Tosha, T; Nomura, T; Nishida, T; Saeki, N; Okubayashi, K; Yamagiwa, R; Sugahara, M; Nakane, T; Yama … 全著者表示

NATURE COMMUNICATIONS 8 2017年11月17日

ISSN: 2041-1723

DOI
DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions

Sharma, AK; Sameera, WMC; Jin, M; Adak, L; Okuzono, C; Iwamoto, T; Kato, M; Nakamura, M; Morokuma, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 45 ) 16117 - 16125 2017年11月15日

ISSN: 0002-7863

DOI
Different Time Scales in the Dissociation Dynamics of Core-Excited CF4 by Two Internal Clocks

Iwayama, H; Léonard, C; Le Quéré, F; Carniato, S; Guillemin, R; Simon, M; Piancastelli, MN; Shigema … 全著者表示

PHYSICAL REVIEW LETTERS 119 ( 20 ) 2017年11月15日

ISSN: 0031-9007

DOI
Development of isothermal-isobaric replica-permutation method for molecular dynamics and Monte Carlo simulations and its application to reveal temperature and pressure dependence of folded, misfolded, and unfolded states of chignolin

Yamauchi, M; Okumura, H

JOURNAL OF CHEMICAL PHYSICS 147 ( 18 ) 2017年11月14日

ISSN: 0021-9606

DOI
Randomly polarised beam produced by magnetooptically Q-switched laser

Morimoto, R; Goto, T; Taira, T; Pritchard, J; Mina, M; Takagi, H; Nakamura, Y; Lim, PB; Uchida, H; … 全著者表示

SCIENTIFIC REPORTS 7 2017年11月13日

ISSN: 2045-2322

DOI
Computerized Implementation of Higher-Order Electron-Correlation Methods and Their Linear-Scaling Divide-and-Conquer Extensions

Nakano, M; Yoshikawa, T; Hirata, S; Seino, J; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 38 ( 29 ) 2520 - 2527 2017年11月05日

ISSN: 0192-8651

DOI
A neutral paddlewheel-type diruthenium(III) complex with benzamidinato ligands: Synthesis, crystal structure, magnetism, and electrochemical and absorption properties

Kataoka, Y; Mikami, S; Sakiyama, H; Mitsumi, M; Kawamoto, T; Handa, M

POLYHEDRON 136 87 - 92 2017年11月04日

ISSN: 0277-5387

DOI
Anion polarity-induced self-doping in a purely organic paramagnetic conductor, α′-α′-(BEDT-TTF)2(PO-CONH-m-C6H4SO3)•H2O where BEDT-TTF is bis(ethylenedithio)tetrathiafulvalene and PO is the radical 2,2,5,5-Tetramethy1-3-pyrrolin-1-oxyl

Akutsu, H; Ishihara, K; Ito, S; Nishiyama, F; Yamada, J; Nakatsuji, S; Turner, SS; Nakazawa, Y

POLYHEDRON 136 23 - 29 2017年11月04日

ISSN: 0277-5387

DOI
Elucidation of the E-Amide Preference of N-Acyl Azoles

Takahashi, Y; Ikeda, H; Kanase, Y; Makino, K; Tabata, H; Oshitari, T; Inagaki, S; Otani, Y; Natsuga … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 82 ( 21 ) 11370 - 11382 2017年11月03日

ISSN: 0022-3263

DOI
High Hole-Mobility Molecular Layer Made from Strong Electron Acceptor Molecules with Metal Adatoms

Yamane, H; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 8 ( 21 ) 5366 - 5371 2017年11月02日

ISSN: 1948-7185

DOI
Structural evolution of Bi thin films on Au(111) revealed by scanning tunneling microscopy

Kawakami, N; Lin, CL; Kawahara, K; Kawai, M; Arafune, R; Takagi, N

PHYSICAL REVIEW B 96 ( 20 ) 2017年11月01日

ISSN: 2469-9950

DOI
Batch and Continuous-Flow Huisgen 1,3-Dipolar Cycloadditions with an Amphiphilic Resin-Supported Triazine-Based Polyethyleneamine Dendrimer Copper Catalyst

Pan, SG; Yan, S; Osako, T; Uozumi, Y

ACS SUSTAINABLE CHEMISTRY & ENGINEERING 5 ( 11 ) 10722 - 10734 2017年11月

ISSN: 2168-0485

DOI
Correction of Kovalenko-Hirata closure in Ornstein-Zernike integral equation theory for Lennard-Jones fluids

Miyata, T; Ebato, Y

JOURNAL OF MOLECULAR LIQUIDS 245 2 - 10 2017年11月

ISSN: 0167-7322

DOI
Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Study on the Formation of Carbamate Ions during CO2 Chemical Absorption in Aqueous Amine Solution

Sakti, AW; Nishimura, Y; Sato, H; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 90 ( 11 ) 1230 - 1235 2017年11月

ISSN: 0009-2673

DOI
Drawing organic photovoltaics using paint marker pens

Suzuki, K; Izawa, S; Chen, YJ; Nakano, K; Tajima, K

AIP ADVANCES 7 ( 11 ) 2017年11月

ISSN: 2158-3226

DOI
Fabrication and Operation of Monolayer Mott FET at Room Temperature

Yang, F; Suda, M; Yamamoto, HM

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 90 ( 11 ) 1259 - 1266 2017年11月

ISSN: 0009-2673

DOI
Hole- and electron-only transport in ratio-controlled organic co-deposited films observed by impedance spectroscopy

Shintaku, N; Izawa, S; Takagi, K; Naito, H; Hiramoto, M

ORGANIC ELECTRONICS 50 515 - 520 2017年11月

ISSN: 1566-1199

DOI
Neutral Molecular Iron(II) Complexes Showing Tunable Bistability at Above, Below, and Just Room Temperature by a Crystal Engineering Approach: Ligand Mobility into a Three-Dimensional Flexible Supramolecular Network

Hagiwara, H; Masuda, T; Ohno, T; Suzuki, M; Udagawa, T; Murai, K

CRYSTAL GROWTH & DESIGN 17 ( 11 ) 6006 - 6019 2017年11月

ISSN: 1528-7483

DOI
Optical and scintillation properties of ScAlMgO4 crystal grown by the floating zone method

Yanagida, T; Koshimizu, M; Kawano, N; Okada, G; Kawaguchi, N

MATERIALS RESEARCH BULLETIN 95 409 - 413 2017年11月

ISSN: 0025-5408

DOI
Scintillation properties of Eu and alkaline metal co-doped LiCaAlF6

Yanagida, T; Koshimizu, M; Fujimoto, Y; Fukuda, K; Watanabe, K; Okada, G; Kawaguchi, N

JOURNAL OF LUMINESCENCE 191 22 - 27 2017年11月

ISSN: 0022-2313

DOI
Visualizing Type-II Weyl Points in Tungsten Ditelluride by Quasiparticle Interference

Lin, CL; Arafune, R; Liu, RY; Yoshimura, M; Feng, BJ; Kawahara, K; Ni, ZY; Minamitani, E; Watanabe, … 全著者表示

ACS NANO 11 ( 11 ) 11459 - 11465 2017年11月

ISSN: 1936-0851

DOI
Characterization of Group 10-Metal-p-Substituted Phenoxyl Radical Complexes with Schiff Base Ligands.

Oshita, H; Kikuchi, M; Mieda, K; Ogura, T; Yoshimura, T; Tani, F; Yajima, T; Abe, H; Mori, S; Shima … 全著者表示

CHEMISTRYSELECT 2 ( 31 ) 10221 - 10231 2017年10月31日

ISSN: 2365-6549

DOI
Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures

Tanaka, Y; Kawashima, Y; Yoshida, N; Nakano, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 38 ( 28 ) 2411 - 2419 2017年10月30日

ISSN: 0192-8651

DOI
Isolation and characterization of a tetranuclear Pt-Fe•••Fe-Pt intermediate en route to the trinuclear Pt-Fe-Pt cluster

Uemura, K; Taoka, M

DALTON TRANSACTIONS 46 ( 40 ) 14012 - 14020 2017年10月28日

ISSN: 1477-9226

DOI
Phase Diagram of TIP4P/2005 Water at High Pressure

Hirata, M; Yagasaki, T; Matsumoto, M; Tanaka, H

LANGMUIR 33 ( 42 ) 11561 - 11569 2017年10月24日

ISSN: 0743-7463

DOI
Conformational effects of N-glycan core fucosylation of immunoglobulin G Fc region on its interaction with Fcγ receptor IIIa

Sakae, Y; Satoh, T; Yagi, H; Yanaka, S; Yamaguchi, T; Isoda, Y; Iida, S; Okamoto, Y; Kato, K

SCIENTIFIC REPORTS 7 2017年10月23日

ISSN: 2045-2322

DOI
Formation of the chaperonin complex studied by 2D NMR spectroscopy

Takenaka, T; Nakamura, T; Yanaka, S; Yagi-Utsumi, M; Chandak, MS; Takahashi, K; Paul, S; Makabe, K; … 全著者表示

PLOS ONE 12 ( 10 ) 2017年10月23日

ISSN: 1932-6203

DOI
Band structure and photoconductivity of blue-green light absorbing AlTiN films

Tatemizo, N; Miura, Y; Nishio, K; Hirata, S; Sawa, F; Fukui, K; Isshiki, T; Imada, S

JOURNAL OF MATERIALS CHEMISTRY A 5 ( 39 ) 20824 - 20832 2017年10月21日

ISSN: 2050-7488

DOI
Transition path sampling of rare events by shooting from the top

Jung, H; Okazaki, K; Hummer, G

JOURNAL OF CHEMICAL PHYSICS 147 ( 15 ) 2017年10月21日

ISSN: 0021-9606

DOI
Effects of spin-orbit interaction in chromium on oxygen K-edge x-ray magnetic circular dichroism spectra in CrO2

Koide, A; Yokoyama, T

PHYSICAL REVIEW B 96 ( 14 ) 2017年10月17日

ISSN: 2469-9950

DOI
Organic-Free Synthesis of a Highly Siliceous Faujasite Zeolite with Spatially Biased Q4(nAl) Si Speciation

Oleksiak, MD; Muraoka, K; Hsieh, MF; Conato, MT; Shimojima, A; Okubo, T; Chaikittisilp, W; Rimer, JD

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 43 ) 13366 - 13371 2017年10月16日

ISSN: 1433-7851

DOI
How to Control Inversion vs Retention Transmetalation between PdII-Phenyl and CuI-Alkyl Complexes: Theoretical Insight

Zheng, H; Semba, K; Nakao, Y; Sakaki, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 40 ) 14065 - 14076 2017年10月11日

ISSN: 0002-7863

DOI
Non-Planar [n]Cyclo-1,8-carbazolylenes (n=3,4,6) and [3]Cyclo-1,8-carbazolylenyl B, P, PO, SiPh Complexes

Yamamoto, K; Pandit, P; Higashibayashi, S

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 56 ) 14011 - 14016 2017年10月09日

ISSN: 0947-6539

DOI
Preparation of Bis(μ3-silylyne) Complexes via Consecutive Si-H Bond Cleavage at a Triruthenium Site

Tsuruda, H; Hayashi, Y; Kawauchi, S; Takao, T

ORGANOMETALLICS 36 ( 19 ) 3774 - 3783 2017年10月09日

ISSN: 0276-7333

DOI
Photoluminescence properties of TADF-emitting three-coordinate silver(I) halide complexes with diphosphine ligands: a comparison study with copper(I) complexes

Osawa, M; Hashimoto, M; Kawata, I; Hoshino, M

DALTON TRANSACTIONS 46 ( 37 ) 12446 - 12455 2017年10月07日

ISSN: 1477-9226

DOI
Size control and luminescence properties of Eu2+ : LiCaAlF6 particles prepared by femtosecond pulsed laser ablation

Inoue, Y; Muramatsu, S; Itoigawa, F; Ono, S; Sudo, M; Fukuda, K; Yanagida, T

JOURNAL OF APPLIED PHYSICS 122 ( 13 ) 2017年10月07日

ISSN: 0021-8979

DOI
Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10′-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives

Takase, K; Noguchi, K; Nakano, K

ORGANIC LETTERS 19 ( 19 ) 5082 - 5085 2017年10月06日

ISSN: 1523-7060

DOI
First-principles study of lateral atom manipulation assisted by structural relaxation of a scanning tip apex

Enkhtaivan, B; Sugimoto, Y; Oshiyama, A

PHYSICAL REVIEW B 96 ( 15 ) 2017年10月06日

ISSN: 2469-9950

DOI
Molecular Dynamics Study on the Mechanical Deformation of Hydrated Perfluorosulfonic Acid Polymer Membranes

Kuo, AT; Tanaka, A; Irisawa, J; Shinoda, W; Okazaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 39 ) 21374 - 21382 2017年10月05日

ISSN: 1932-7447

DOI
Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems

Suzuki, K; Morokuma, K; Maeda, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 38 ( 26 ) 2213 - 2221 2017年10月05日

ISSN: 0192-8651

DOI
Solvent Dependence of Double Proton Transfer in the Formic Acid-Formamidine Complex: Path Integral Molecular Dynamics Investigation

Kungwan, N; Ngaojampa, C; Ogata, Y; Kawatsu, T; Oba, Y; Kawashima, Y; Tachikawa, M

JOURNAL OF PHYSICAL CHEMISTRY A 121 ( 39 ) 7324 - 7334 2017年10月05日

ISSN: 1089-5639

DOI
A Parameterization of Empirical Sigma Enlarging Bridge Correction of Kovalenko-Hirata Closure in Ornstein-Zernike Theory for Lennard-Jones Fluids

Miyata, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 90 ( 10 ) 1095 - 1104 2017年10月

ISSN: 0009-2673

DOI
Assessment of Methodology and Chemical Group Dependences in the Calculation of the pKa for Several Chemical Groups

Matsui, T; Shigeta, Y; Morihashi, K

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13 ( 10 ) 4791 - 4803 2017年10月

ISSN: 1549-9618

DOI
Carbonization of Silicon Nanoparticles via Ablation Induced by Femtosecond Laser Pulses in Hexane

Yu, X; Terakawa, S; Hayashi, S; Asaka, T; Itoigawa, F; Ono, S; Takayanagi, J

ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING 42 ( 10 ) 4221 - 4226 2017年10月

ISSN: 2193-567X

DOI
Chemoselective Continuous-Flow Hydrogenation of Aldehydes Catalyzed by Platinum Nanoparticles Dispersed in an Amphiphilic Resin

Osako, T; Torii, K; Hirata, S; Uozumi, Y

ACS CATALYSIS 7 ( 10 ) 7371 - 7377 2017年10月

ISSN: 2155-5435

DOI
Coherent singlet fission activated by symmetry breaking

Miyata, K; Kurashige, Y; Watanabe, K; Sugimoto, T; Takahashi, S; Tanaka, S; Takeya, J; Yanai, T; Ma … 全著者表示

NATURE CHEMISTRY 9 ( 10 ) 983 - 989 2017年10月

ISSN: 1755-4330

DOI
Detecting dynamic responses of materials and devices under an alternating electric potential by phase-locked transmission electron microscopy

Soma, K; Konings, S; Aso, R; Kamiuchi, N; Kobayashi, G; Yoshida, H; Takeda, S

ULTRAMICROSCOPY 181 27 - 41 2017年10月

ISSN: 0304-3991

DOI
Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States

Yanai, T; Saitow, M; Xiong, XG; Chalupsky, J; Kurashige, Y; Guo, S; Sharma, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13 ( 10 ) 4829 - 4840 2017年10月

ISSN: 1549-9618

DOI
NMR Detection of Semi-Specific Antibody Interactions in Serum Environments

Yanaka, S; Yamazaki, T; Yogo, R; Noda, M; Uchiyama, S; Yagi, H; Kato, K

MOLECULES 22 ( 10 ) 2017年10月

DOI
Synthesis of a C70 Fragment Buckybowl C28H14 from a C60 Fragment Sumanene

Hishikawa, S; Okabe, Y; Tsuruoka, R; Higashibayashi, S; Ohtsu, H; Kawano, M; Yakiyama, Y; Sakurai, H

CHEMISTRY LETTERS 46 ( 10 ) 1556 - 1559 2017年10月

ISSN: 0366-7022

DOI
Theoretical study on X-ray absorption spectra and bond dynamics for core excitation from valence excited benzoic acids

Inui, H; Takahashi, O; Hiraya, A

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 220 101 - 104 2017年10月

ISSN: 0368-2048

DOI
XAS and XES studies of carbonate and bicarbonate ions in aqueous solutions

Nishida, N; Horikawa, Y; Tokushima, T; Takahashi, O

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 220 96 - 100 2017年10月

ISSN: 0368-2048

DOI
Compositions and structures of niobium oxide cluster ions, NbmOn±, (m=2-12), revealed by ion mobility mass spectrometry

Wu, JWJ; Moriyama, R; Nakano, M; Ohshimo, K; Misaizu, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 36 ) 24903 - 24914 2017年09月28日

ISSN: 1463-9076

DOI
Spatially Resolved Distribution of Fe Species around Microbes at the Submicron Scale in Natural Bacteriogenic Iron Oxides

Suga, H; Kikuchi, S; Takeichi, Y; Miyamoto, C; Miyahara, M; Mitsunobu, S; Ohigashi, T; Mase, K; Ono … 全著者表示

MICROBES AND ENVIRONMENTS 32 ( 3 ) 283 - 287 2017年09月27日

ISSN: 1342-6311

DOI
DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species

Li, LF; Lei, M; Sakaki, S

ORGANOMETALLICS 36 ( 18 ) 3530 - 3538 2017年09月25日

ISSN: 0276-7333

DOI
Rapid Access to Nanographenes and Fused Heteroaromatics by Palladium-Catalyzed Annulative -Extension Reaction of Unfunctionalized Aromatics with Diiodobiaryls

Matsuoka, W; Ito, H; Itami, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 40 ) 12224 - 12228 2017年09月25日

ISSN: 1433-7851

DOI
Embedded Cluster Model for Al2O3 and AIPO4 Surfaces Using Point Charges and Periodic Electrostatic Potential

Matsui, M; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 37 ) 20242 - 20253 2017年09月21日

ISSN: 1932-7447

DOI
Comparative Studies of Optical and Scintillation Properties between LiGaO2 and LiAlO2 Crystals

Yanagida, T; Fujimoto, Y; Koshimizu, M; Kawano, N; Okada, G; Kawaguchi, N

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 86 ( 9 ) 2017年09月15日

ISSN: 0031-9015

DOI
A structural study on the excimer state of an isolated benzene dimer using infrared spectroscopy in the skeletal vibration region

Miyazaki, M; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 34 ) 22759 - 22776 2017年09月14日

ISSN: 1463-9076

DOI
Excess charge driven dissociative hydrogen adsorption on Ti2O4-

Song, XW; Fagiani, MR; Debnath, S; Gao, M; Maeda, S; Taketsugu, T; Gewinner, S; Schöllkopf, W; Asmi … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 34 ) 23154 - 23161 2017年09月14日

ISSN: 1463-9076

DOI
Magnetic resonance investigation for a possible antiferromagnetic subphase in (TMTTF)2Br

Asada, M; Nakamura, T

PHYSICAL REVIEW B 96 ( 12 ) 2017年09月13日

ISSN: 2469-9950

DOI
Evaluation of hydrogen bond networks in cellulose Iβ and II crystals using density functional theory and Car-Parrinello molecular dynamics

Hayakawa, D; Nishiyama, Y; Mazeau, K; Ueda, K

CARBOHYDRATE RESEARCH 449 103 - 113 2017年09月08日

ISSN: 0008-6215

DOI
Communication: Hypothetical ultralow-density ice polymorphs

Matsui, T; Hirata, M; Yagasaki, T; Matsumoto, M; Tanaka, H

JOURNAL OF CHEMICAL PHYSICS 147 ( 9 ) 2017年09月07日

ISSN: 0021-9606

DOI
Transferable coarse-grained model for perfluorosulfonic acid polymer membranes

Kuo, AT; Okazaki, S; Shinoda, W

JOURNAL OF CHEMICAL PHYSICS 147 ( 9 ) 2017年09月07日

ISSN: 0021-9606

DOI
N-Type Superconductivity in an Organic Mott Insulator Induced by Light-Driven Electron-Doping

Suda, M; Takashina, N; Namuangruk, S; Kungwan, N; Sakurai, H; Yamamoto, HM

ADVANCED MATERIALS 29 ( 33 ) 2017年09月06日

ISSN: 0935-9648

DOI
Process design of microdomains with quantum mechanics for giant pulse lasers

Sato, Y; Akiyama, J; Taira, T

SCIENTIFIC REPORTS 7 2017年09月06日

ISSN: 2045-2322

DOI
Enhanced Luminescence of Asymmetrical Seven-Coordinate EuIII Complexes Including LMCT Perturbation

Yanagisawa, K; Kitagawa, Y; Nakanishi, T; Akama, T; Kobayashi, M; Seki, T; Fushimi, K; Ito, H; Take … 全著者表示

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 32 ) 3843 - 3848 2017年09月01日

ISSN: 1434-1948

DOI
Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation

Okuda, M; Higashi, M; Ohta, K; Saito, S; Tominaga, K

CHEMICAL PHYSICS LETTERS 683 547 - 552 2017年09月01日

ISSN: 0009-2614

DOI
Fermi-level pinning appears upon weak electrode-organic contact without gap states: A universal phenomenon

Yang, JP; Shang, LT; Bussolotti, F; Cheng, LW; Wang, WQ; Zeng, XH; Kera, S; Li, YQ; Tang, JX; Ueno, … 全著者表示

ORGANIC ELECTRONICS 48 172 - 178 2017年09月

ISSN: 1566-1199

DOI
Fluorescence Quenching of Alexa Fluor 488-labeled DNA by Complementary Trp-containing PNA Partitioned in Liquid-ordered Domains

Oka, Y; Shishino, H

CHEMISTRY LETTERS 46 ( 11 ) 1672 - 1675 2017年09月

ISSN: 0366-7022

DOI
Low-temperature Electronic Paramagnetic Resonance Measurements of TEMPO and 4-Hydroxy-TEMPO Benzoate for Purity Analyses by the Effective Magnetic-moment Method

Matsumoto, N; Shimosaka, T

ANALYTICAL SCIENCES 33 ( 9 ) 1059 - 1065 2017年09月

ISSN: 0910-6340

DOI
Nano-scale chemical reactions based on non-uniform optical near-fields and their applications

Yatsui, T; Yamaguchi, M; Nobusada, K

PROGRESS IN QUANTUM ELECTRONICS 55 166 - 194 2017年09月

ISSN: 0079-6727

DOI
Observation of an optical vortex beam from a helical undulator in the XUV region

Kaneyasu, T; Hikosaka, Y; Fujimoto, M; Iwayama, H; Hosaka, M; Shigemasa, E; Katoh, M

JOURNAL OF SYNCHROTRON RADIATION 24 934 - 938 2017年09月

ISSN: 1600-5775

DOI
Synthesis and Optical Properties of Fused π-Conjugated Imidazole Compounds

Takagi, K; Ito, K; Yamada, Y; Nakashima, T; Fukuda, R; Ehara, M; Takeuchi, D

CHEMISTRY LETTERS 46 ( 9 ) 1372 - 1375 2017年09月

ISSN: 0366-7022

DOI
Elucidation of potential sites for antibody engineering by fluctuation editing

Yanaka, S; Moriwaki, Y; Tsumoto, K; Sugase, K

SCIENTIFIC REPORTS 7 2017年08月30日

ISSN: 2045-2322

DOI
Formation of a New, Strongly Basic Nitrogen Anion by Metal Oxide Modification

Tamura, M; Kishi, R; Nakayama, A; Nakagawa, Y; Hasegawa, J; Tomishige, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 34 ) 11857 - 11867 2017年08月30日

ISSN: 0002-7863

DOI
The Impact of the Polymer Chain Length on the Catalytic Activity of Poly(N-vinyl-2-pyrrolidone)-supported Gold Nanoclusters

Haesuwannakij, S; Kimura, T; Furutani, Y; Okumura, K; Kokubo, K; Sakata, T; Yasuda, H; Yakiyama, Y; … 全著者表示

SCIENTIFIC REPORTS 7 2017年08月29日

ISSN: 2045-2322

DOI
Molecular dynamics study of the potential of mean force of SDS aggregates

Kawada, S; Fujimoto, K; Yoshii, N; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 147 ( 8 ) 2017年08月28日

ISSN: 0021-9606

DOI
Energetics of Baird aromaticity supported by inversion of photoexcited chiral [4n]annulene derivatives

Ueda, M; Jorner, K; Sung, YM; Mori, T; Xiao, Q; Kim, D; Ottosson, H; Aida, T; Itoh, Y

NATURE COMMUNICATIONS 8 2017年08月24日

DOI
Effects of Polytypism on the Thermoelectric Properties of Group-IV Semiconductor Nanowires: A Combination of Density Functional Theory and Boltzmann Transport Calculations

Akiyama, T; Komoda, T; Nakamura, K; Ito, T

PHYSICAL REVIEW APPLIED 8 ( 2 ) 2017年08月18日

ISSN: 2331-7019

DOI
Isolable Triradical Trication of Hexaaza[16]paracyclophane with Embedded 9,10-Anthrylenes: A Frustrated Three-Spin System

Kurata, R; Sakamaki, D; Uebe, M; Kinoshita, M; Iwanaga, T; Matsumoto, T; Ito, A

ORGANIC LETTERS 19 ( 16 ) 4371 - 4374 2017年08月18日

ISSN: 1523-7060

DOI
Two-dimensional sp2 carbon-conjugated covalent organic frameworks

Jin, EQ; Asada, M; Xu, Q; Dalapati, S; Addicoat, MA; Brady, MA; Xu, H; Nakamura, T; Heine, T; Chen, … 全著者表示

SCIENCE 357 ( 6352 ) 673 - 676 2017年08月18日

ISSN: 0036-8075

DOI
Mass spectrometric study of N2-adsorption on copper cluster cations formed by modulated pulsed power magnetron sputtering in aggregation cell

Ohshimo, K; Mizuuchi, I; Akimoto, K; Tsukamoto, K; Tona, M; Yamamoto, H; Nakano, M; Misaizu, F

CHEMICAL PHYSICS LETTERS 682 60 - 63 2017年08月16日

ISSN: 0009-2614

DOI
Dy doped BiFeO3: A bulk ceramic with improved multiferroic properties compared to nano counterparts

Chowdhury, SS; Kamal, AM; Hossain, R; Hasan, M; Islam, MF; Ahmmad, B; Basith, MA

CERAMICS INTERNATIONAL 43 ( 12 ) 9191 - 9199 2017年08月15日

ISSN: 0272-8842

DOI
Aromatic C-H σ-Bond Activation by Ni0, Pd0, and Pt0 Alkene Complexes: Concerted Oxidative Addition to Metal vs Ligand-to-Ligand H Transfer Mechanism

Tang, SW; Eisenstein, O; Nakao, Y; Sakaki, S

ORGANOMETALLICS 36 ( 15 ) 2761 - 2771 2017年08月14日

ISSN: 0276-7333

DOI
Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse

Takanashi, T; Nakamura, K; Kukk, E; Motomura, K; Fukuzawa, H; Nagaya, K; Wada, S; Kumagai, Y; Iablo … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 30 ) 19707 - 19721 2017年08月14日

ISSN: 1463-9076

DOI
Chlorophyll-Based Organic-Inorganic Heterojunction Solar Cells

Li, Y; Zhao, WJ; Li, MZ; Chen, G; Wang, XF; Fu, XQ; Kitao, O; Tamiaki, H; Sakai, K; Ikeuchi, T; Sas … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 45 ) 10886 - 10892 2017年08月10日

ISSN: 0947-6539

DOI
Optical signature of Weyl electronic structures in tantalum pnictides TaPn (Pn = P, As)

Kimura, S; Yokoyama, H; Watanabe, H; Sichelschmidt, J; Süss, V; Schmidt, M; Felser, C

PHYSICAL REVIEW B 96 ( 7 ) 2017年08月10日

ISSN: 2469-9950

DOI
Rhodium-Catalyzed Silylative and Germylative Cyclization with Dehydrogenation Leading to 9-Sila- and 9-Germafluorenes: A Combined Experimental and Computational Mechanistic Study

Murai, M; Okada, R; Asako, S; Takai, K

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 45 ) 10861 - 10870 2017年08月10日

ISSN: 0947-6539

DOI
A ciliary opsin in the brain of a marine annelid zooplankton is ultraviolet-sensitive, and the sensitivity is tuned by a single amino acid residue

Tsukamoto, H; Chen, IS; Kubo, Y; Furutani, Y

JOURNAL OF BIOLOGICAL CHEMISTRY 292 ( 31 ) 12971 - 12980 2017年08月04日

DOI
Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules

Fujikawa, T; Segawa, Y; Itami, K

JOURNAL OF ORGANIC CHEMISTRY 82 ( 15 ) 7745 - 7749 2017年08月04日

ISSN: 0022-3263

DOI
Modulation of Open-shell Characters of Amine-inserted Diphenoquinones via Structural Modification

Matsuta, Y; Sakamaki, D; Kurata, R; Ito, A; Seki, S

CHEMISTRY-AN ASIAN JOURNAL 12 ( 15 ) 1889 - 1894 2017年08月04日

ISSN: 1861-4728

DOI
Photo-induced β-elimination of 9-fluorenylmethanol leading to dibenzofulvene

Nageh, H; Zhao, LM; Nakayama, A; Hasegawa, J; Wang, Y; Nakano, T

CHEMICAL COMMUNICATIONS 53 ( 60 ) 8431 - 8434 2017年08月04日

ISSN: 1359-7345

DOI
Geometrical Structures of Gas Phase Chromium Oxide Cluster Anions Studied by Ion Mobility Mass Spectrometry

Moriyama, R; Sato, R; Nakano, M; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 121 ( 30 ) 5605 - 5613 2017年08月03日

ISSN: 1089-5639

DOI
QM/MM Calculation of the Enzyme Catalytic Cycle Mechanism for Copper- and Zinc-Containing Superoxide Dismutase

Lintuluoto, M; Yamada, C; Lintuluoto, JM

JOURNAL OF PHYSICAL CHEMISTRY B 121 ( 30 ) 7235 - 7246 2017年08月03日

ISSN: 1520-6106

DOI
Thermal Analysis of Hydrated Gold Cluster Cations in the Gas Phase

Nagata, T; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 30 ) 16291 - 16299 2017年08月03日

ISSN: 1932-7447

DOI
Combined Theoretical and Experimental Studies of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Cleavage

Schwarzer, MC; Konno, R; Hojo, T; Ohtsuki, A; Nakamura, K; Yasutome, A; Takahashi, H; Shimasaki, T; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 30 ) 10347 - 10358 2017年08月02日

ISSN: 0002-7863

DOI
Hole-phonon coupling effect on the band dispersion of organic molecular semiconductors

Bussolotti, F; Yang, J; Yamaguchi, T; Yonezawa, K; Sato, K; Matsunami, M; Tanaka, K; Nakayama, Y; I … 全著者表示

NATURE COMMUNICATIONS 8 2017年08月02日

ISSN: 2041-1723

DOI
Raman Optical Activity Reveals Carotenoid Photoactivation Events in the Orange Carotenoid Protein in Solution

Fujisawa, T; Leverenz, RL; Nagarnine, M; Kerfeld, CA; Unno, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 30 ) 10456 - 10460 2017年08月02日

ISSN: 0002-7863

DOI
Dependence of crystallographic orientation on amount of Bi(OH)3 precursor and annealing temperature in monoclinic (100) Bi2SiO5 films chemically grown on amorphous SiO2 substrate

Hayashi, K; Yamada, K; Shima, M

MATERIALS LETTERS 200 24 - 26 2017年08月01日

ISSN: 0167-577X

DOI
Operando 3D Visualization of Migration and Degradation of a Platinum Cathode Catalyst in a Polymer Electrolyte Fuel Cell

Matsui, H; Ishiguro, N; Uruga, T; Sekizawa, O; Higashi, K; Maejima, N; Tada, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 32 ) 9371 - 9375 2017年08月01日

ISSN: 1433-7851

DOI
Control of indium tin oxide anode work function modified using Langmuir-Blodgett monolayer for high-efficiency organic photovoltaics

Yokokura, Y; Dogase, T; Shinbo, T; Nakayashiki, Y; Takagi, Y; Ueda, K; Sarangerel, K; Delgertsetseg … 全著者表示

AIP ADVANCES 7 ( 8 ) 2017年08月

DOI
Copper-Catalyzed Enantioselective Boron Conjugate Addition: DFT and AFIR Study on Different Selectivities of Cu(I) and Cu(II) Catalysts

Isegawa, M; Sameera, WMC; Sharma, AK; Kitanosono, T; Kato, M; Kobayashi, S; Morokuma, K

ACS CATALYSIS 7 ( 8 ) 5370 - 5380 2017年08月

ISSN: 2155-5435

DOI
Effects of atomic arrangements on electronic structures of threading dislocations in III-nitride alloy semiconductors: A first-principles study

Akiyama, T; Sakaguchi, R; Nakamura, K; Ito, T

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 254 ( 8 ) 2017年08月

ISSN: 0370-1972

DOI
Identifying time scales for violation/preservation of Stokes-Einstein relation in supercooled water

Kawasaki, T; Kim, K

SCIENCE ADVANCES 3 ( 8 ) 2017年08月

ISSN: 2375-2548

DOI
Intermolecular Packing Effects on Singlet Fission in Oligorylene Dimers

Nagami, T; Ito, S; Kubo, T; Nakano, M

ACS OMEGA 2 ( 8 ) 5095 - 5103 2017年08月

ISSN: 2470-1343

DOI
Low temperature growth of single-walled carbon nanotubes from Ru catalysts by alcohol catalytic chemical vapor deposition

Fujii, T; Kiribayashi, H; Saida, T; Naritsuka, S; Maruyama, T

DIAMOND AND RELATED MATERIALS 77 97 - 101 2017年08月

ISSN: 0925-9635

DOI
Polarization-dependent Total Reflection Fluorescence X-ray Absorption Fine Structure (PTRF-XAFS) Studies on the Structure of a Pt Monolayer on Au(111) Prepared by the Surface-limited Redox Replacement Reaction

Yuan, QY; Takakusagi, S; Wakisaka, Y; Uemura, Y; Wada, T; Ariga, H; Asakura, K

CHEMISTRY LETTERS 46 ( 8 ) 1250 - 1253 2017年08月

ISSN: 0366-7022

DOI
The role of CH/π interactions in the high affinity binding of streptavidin and biotin

Ozawa, M; Ozawa, T; Nishio, M; Ueda, K

JOURNAL OF MOLECULAR GRAPHICS & MODELLING 75 117 - 124 2017年08月

ISSN: 1093-3263

DOI
Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups

Kishi, R; Katsurayama, T; Ochi, S; Makino, A; Matsushita, N; Saito, M; Nagami, T; Fujiyoshi, J; Nak … 全著者表示

CHEMISTRYOPEN 6 ( 4 ) 506 - 513 2017年08月

ISSN: 2191-1363

DOI
Two Furanosesterterpenoids from the Sponge Luffariella variabilis

Ahmadi, P; Higashi, M; de Voogd, NJ; Tanaka, J

MARINE DRUGS 15 ( 8 ) 2017年08月

DOI
Cp*CoIII-Catalyzed CH Alkenylation/Annulation Reactions of Indoles with Alkynes: A DFT Study

Sakata, K; Eda, M; Kitaoka, Y; Yoshino, T; Matsunaga, S

JOURNAL OF ORGANIC CHEMISTRY 82 ( 14 ) 7379 - 7387 2017年07月21日

ISSN: 0022-3263

DOI
Helical Phase Structure of Radiation from an Electron in Circular Motion

Katoh, M; Fujimoto, M; Mirian, NS; Konomi, T; Taira, Y; Kaneyasu, T; Hosaka, M; Yamamoto, N; Mochih … 全著者表示

SCIENTIFIC REPORTS 7 2017年07月21日

ISSN: 2045-2322

DOI
Selected configuration interaction method using sampled first-order corrections to wave functions

Ohtsuka, Y; Hasegawa, JY

JOURNAL OF CHEMICAL PHYSICS 147 ( 3 ) 2017年07月21日

ISSN: 0021-9606

DOI
Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study

Yoshii, N; Nimura, Y; Fujimoto, K; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 147 ( 3 ) 2017年07月21日

ISSN: 0021-9606

DOI
Synthesis and structures of lithium alkoxytris(dimethylphenylsilyl)borates

Tsurusaki, A; Yoshida, K; Kyushin, S

DALTON TRANSACTIONS 46 ( 27 ) 8705 - 8708 2017年07月21日

ISSN: 1477-9226

DOI
Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles

Harlé, JB; Mine, S; Kamegawa, T; Nguyen, VT; Maeda, T; Nakazumi, H; Fujiwara, H

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 28 ) 15049 - 15062 2017年07月20日

ISSN: 1932-7447

DOI
Density Functional Theory Analysis of Elementary Reactions in NOx Reduction on Rh Surfaces and Rh Clusters

Deushi, F; Ishikawa, A; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 28 ) 15272 - 15281 2017年07月20日

ISSN: 1932-7447

DOI
A Fluxional Cu8H6 Cluster Supported by Bis(diphenylphosphino)methane and its Facile Reaction with CO2

Nakamae, K; Tanaka, M; Kure, B; Nakajima, T; Ura, Y; Tanase, T

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 40 ) 9457 - 9461 2017年07月18日

ISSN: 0947-6539

DOI
Three-dimensional band structure of LaSb and CeSb: Absence of band inversion

Oinuma, H; Souma, S; Takane, D; Nakamura, T; Nakayama, K; Mitsuhashi, T; Horiba, K; Kumigashira, H; … 全著者表示

PHYSICAL REVIEW B 96 ( 4 ) 2017年07月18日

ISSN: 2469-9950

DOI
Suppressing Isomerization of Phosphine-Protected Au9 Cluster by Bond Stiffening Induced by a Single Pd Atom Substitution

Yamazoe, S; Matsuo, S; Muramatsu, S; Takano, S; Nitta, K; Tsukuda, T

INORGANIC CHEMISTRY 56 ( 14 ) 8319 - 8325 2017年07月17日

ISSN: 0020-1669

DOI
Relativistic density functional theory with picture-change corrected electron density based on infinite-order Douglas-Kroll-Hess method

Oyama, T; Ikabata, Y; Seino, J; Nakai, H

CHEMICAL PHYSICS LETTERS 680 37 - 43 2017年07月16日

ISSN: 0009-2614

DOI
Spin-1/2 Quantum Antiferromagnet on a Three-Dimensional Honeycomb Lattice Formed by a New Organic Biradical F4BIPBNN

Amaya, N; Ono, T; Oku, Y; Yamaguchi, H; Matsuo, A; Kindo, K; Nojiri, H; Palacio, F; Campo, J; Hosok … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 86 ( 7 ) 2017年07月15日

ISSN: 0031-9015

DOI
Infrared Determination of the Protonation State of a Key Histidine Residue in the Photosynthetic Water Oxidizing Center

Nakamura, S; Noguchi, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 27 ) 9364 - 9375 2017年07月12日

ISSN: 0002-7863

DOI
A Highly Active PBP-Iridium Catalyst for the Dehydrogenation of Dimethylamine-Borane: Catalytic Performance and Mechanism

Kwan, EH; Ogawa, H; Yamashita, M

CHEMCATCHEM 9 ( 13 ) 2457 - 2462 2017年07月07日

ISSN: 1867-3880

DOI
Assessing the accuracy of integral equation theories for nano-sized hydrophobic solutes in water

Fujita, T; Yamamoto, T

JOURNAL OF CHEMICAL PHYSICS 147 ( 1 ) 2017年07月07日

ISSN: 0021-9606

DOI
Theoretical study of one-electron-oxidized salen complexes of group 7 (Mn(III), Tc(III), and Re( III)) and group 10 metals (Ni(II), Pd(II), and Pt(II)) with the 3D-RISM-GMC-QDPT method: localized vs. delocalized ground and excited states in solution

Aono, S; Nakagaki, M; Sakaki, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 25 ) 16831 - 16849 2017年07月07日

ISSN: 1463-9076

DOI
Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative

Sato, T; Hayashi, R; Haruta, N; Pu, YJ

SCIENTIFIC REPORTS 7 2017年07月06日

ISSN: 2045-2322

DOI
Racemic charge-transfer complexes of a helical polycyclic aromatic hydrocarbon molecule

Yoshida, Y; Nakamura, Y; Kishida, H; Hayama, H; Nakano, Y; Yamochi, H; Saito, G

CRYSTENGCOMM 19 ( 26 ) 3626 - 3632 2017年07月04日

DOI
Interactions Between Thiocyanate-Free Bis-Tridentate Ru Complexes and Iodide in Dye-Sensitized Solar Cells

Kusama, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 344 134 - 142 2017年07月01日

ISSN: 1010-6030

DOI
Theoretical study on photoexcitation dynamics of a bis-diimine Cu(I) complex in solutions

Agena, A; Iuchi, S; Higashi, M

CHEMICAL PHYSICS LETTERS 679 60 - 65 2017年07月01日

ISSN: 0009-2614

DOI
Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric α-Fluorination of α-Branched Enals

Arimitsu, S; Yonamine, T; Higashi, M

ACS CATALYSIS 7 ( 7 ) 4736 - 4740 2017年07月

ISSN: 2155-5435

DOI
Comparative evaluation of detachable mold fixing methods aimed at low energy loss for ultrasonic nanoimprint lithography

Mekaru, H; Yano, T

MICROSYSTEM TECHNOLOGIES-MICRO-AND NANOSYSTEMS-INFORMATION STORAGE AND PROCESSING SYSTEMS 23 ( 7 ) 2707 - 2717 2017年07月

ISSN: 0946-7076

DOI
Crystal structure of a family 6 cellobiohydrolase from the basidiomycete Phanerochaete chrysosporium

Tachioka, M; Nakamura, A; Ishida, T; Igarashi, K; Samejima, M

ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS 73 398 - 403 2017年07月

DOI
Electron Fate and Mutational Robustness in the Mechanism of (6-4)Photolyase-Mediated DNA Repair

Dokainish, HM; Yamada, D; Iwata, T; Kandori, H; Kitao, A

ACS CATALYSIS 7 ( 7 ) 4835 - 4845 2017年07月

ISSN: 2155-5435

DOI
Molecular dynamics simulation of cellulose-coated oil-in-water emulsions

Miyamoto, H; Rein, D; Ueda, K; Yamane, C; Cohen, Y

CELLULOSE 24 ( 7 ) 2699 - 2711 2017年07月

ISSN: 0969-0239

DOI
Preparation of high crystalline nanoparticles of rare-earth based complex pervoskites and comparison of their structural and magnetic properties with bulk counterparts

Basith, MA; Islam, MA; Ahmmad, B; Hossain, MDS; Molhave, K

MATERIALS RESEARCH EXPRESS 4 ( 7 ) 2017年07月

ISSN: 2053-1591

DOI
Projector Augmented Wave Method Incorporated into Gauss-Type Atomic Orbital Based Density Functional Theory

Xiong, XG; Yanai, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13 ( 7 ) 3236 - 3249 2017年07月

ISSN: 1549-9618

DOI
Self-Referenced Measurement of Light Waves

Shirai, H; Nomura, Y; Fuji, T

LASER & PHOTONICS REVIEWS 11 ( 4 ) 2017年07月

ISSN: 1863-8880

DOI
Size-Controlled Preparation of Gold Nanoclusters on Hydroxyapatite Through Trans-Deposition Method

Haesuwannakij, S; Poonsawat, T; Noikham, M; Somsook, E; Yakiyama, Y; Dhital, RN; Sakurai, H

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 17 ( 7 ) 4649 - 4657 2017年07月

ISSN: 1533-4880

DOI
Syntheses and CO2 reduction activities of π-expanded/extended iron porphyrin complexes

Okabe, Y; Lee, SK; Kondo, M; Masaoka, S

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY 22 ( 5 ) 713 - 725 2017年07月

ISSN: 0949-8257

DOI
Theoretical investigations on the stability and electronic structures of two-dimensional group-IV ternary alloy monolayers

Akiyama, T; Yoshimura, G; Nakamura, K; Ito, T

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B 35 ( 4 ) 2017年07月

ISSN: 2166-2746

DOI
π-Extended Tetrathiafulvalene Analogue with Dicyano Dihydro-s-indacene Core Leading to Facile Oxidation, Metallic Luster, and Solvatochromic Properties

Hasegawa, M; Endo, Y; Honda, Y; Mazaki, Y

CHEMISTRY LETTERS 46 ( 7 ) 964 - 967 2017年07月

ISSN: 0366-7022

DOI
How seaweeds release the excess energy from sunlight to surrounding sea water

Koizumi, K; Hatakeyama, M; Boero, M; Nobusada, K; Hori, H; Misonou, T; Nakamura, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 24 ) 15745 - 15753 2017年06月28日

ISSN: 1463-9076

DOI
Asymmetric Synthesis of β-Lactams through Copper-Catalyzed Alkyne-Nitrone Coupling with a Prolinol-Phosphine Chiral Ligand

Takayama, Y; Ishii, T; Ohmiya, H; Iwai, T; Schwarzer, MC; Mori, S; Taniguchi, T; Monde, K; Sawamura … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 35 ) 8400 - 8404 2017年06月22日

ISSN: 0947-6539

DOI
A coordination strategy to realize a sextuply-bonded complex

Chen, Y; Hasegawa, JY; Yamaguchi, K; Sakaki, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 23 ) 14947 - 14954 2017年06月21日

ISSN: 1463-9076

DOI
A designer ligand field for blue-green luminescence of organoeuropium(II) sandwich complexes with cyclononatetraenyl ligands

Kawasaki, K; Sugiyama, R; Tsuji, T; Iwasa, T; Tsunoyama, H; Mizuhata, Y; Tokitoh, N; Nakajima, A

CHEMICAL COMMUNICATIONS 53 ( 49 ) 6557 - 6560 2017年06月21日

ISSN: 1359-7345

DOI
Hydrogen Bonding Environment of the N3-H Group of Flavin Mononucleotide in the Light Oxygen Voltage Domains of Phototropins

Iwata, T; Nozaki, D; Yamamoto, A; Koyama, T; Nishina, Y; Shiga, K; Tokutomi, S; Unno, M; Kandori, H

BIOCHEMISTRY 56 ( 24 ) 3099 - 3108 2017年06月20日

ISSN: 0006-2960

DOI
Magnetic properties of a quasi-two-dimensional S=1/2 Heisenberg antiferromagnet with distorted square lattice

Yamaguchi, H; Tamekuni, Y; Iwasaki, Y; Otsuka, R; Hosokoshi, Y; Kida, T; Hagiwara, M

PHYSICAL REVIEW B 95 ( 23 ) 2017年06月20日

ISSN: 2469-9950

DOI
Highly excited exciton-polariton condensates

Horikiri, T; Byrnes, T; Kusudo, K; Ishida, N; Matsuo, Y; Shikano, Y; Löffler, A; Höfling, S; Forche … 全著者表示

PHYSICAL REVIEW B 95 ( 24 ) 2017年06月19日

ISSN: 2469-9950

DOI
Base-Induced Transformation of 2-Acyl-3-alkyl-2H-azirines to Oxazoles: Involvement of Deprotonation-Initiated Pathways

Ning, YT; Otani, Y; Ohwada, T

JOURNAL OF ORGANIC CHEMISTRY 82 ( 12 ) 6313 - 6326 2017年06月16日

ISSN: 0022-3263

DOI
Synthesis of Heterocycle-Containing 9,9-Diarylfluorenes Using Superelectrophiles

Gasonoo, M; Sumita, A; Boblak, KN; Giuffre, K; Ohwada, T; Klumpp, DA

JOURNAL OF ORGANIC CHEMISTRY 82 ( 12 ) 6044 - 6053 2017年06月16日

ISSN: 0022-3263

DOI
Tetraaza[1.1.1.1]m,p,m,p-cyclophane Diradical Dications Revisited: Tuning Spin States by Confronted Arenes

Kurata, R; Sakamaki, D; Ito, A

ORGANIC LETTERS 19 ( 12 ) 3115 - 3118 2017年06月16日

ISSN: 1523-7060

DOI
Theoretical study on the anion photoelectron spectra of Ln(COT)2- including the spin-orbit effects

Nakajo, E; Yabushita, S

CHEMICAL PHYSICS LETTERS 678 259 - 264 2017年06月16日

ISSN: 0009-2614

DOI
Effects of fabrication method of Al2O3 buffer layer on Rh-catalyzed growth of single-walled carbon nanotubes by alcohol-gas-source chemical vapor deposition

Kiribayashi, H; Fujii, T; Kozawa, A; Ogawa, S; Saida, T; Naritsuka, S; Maruyama, T

JOURNAL OF CRYSTAL GROWTH 468 114 - 118 2017年06月15日

ISSN: 0022-0248

DOI
Electrostatic energy of transfer and macrobond analyses of intermolecular interactions and hydration effects in protein crystals in a low ionic environment

Sugawara, Y; Hirano, Y; Yamamura, S; Endo, S; Ootaki, M; Matsumoto, N; Takahashi, T

JOURNAL OF CRYSTAL GROWTH 468 283 - 289 2017年06月15日

ISSN: 0022-0248

DOI
Liquid-phase growth of few-layered graphene on sapphire substrates using SiC micropowder source

Maruyama, T; Yamashita, Y; Saida, T; Tanaka, SI; Naritsuka, S

JOURNAL OF CRYSTAL GROWTH 468 175 - 178 2017年06月15日

ISSN: 0022-0248

DOI
Near-infrared absorption carboxylated chlorophyll-a derivatives for biocompatible dye-sensitized hydrogen evolution

Sun, Y; Wang, XF; Chen, G; Zhan, CH; Kitao, O; Tamiaki, H; Sasaki, S

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 42 ( 24 ) 15731 - 15738 2017年06月15日

ISSN: 0360-3199

DOI
Spectroscopic study of X-ray absorption near-edge structure of chemical states of Pt catalyst during growth of single-walled carbon nanotubes

Kumakura, M; Kozawa, A; Saida, T; Naritsuka, S; Maruyama, T

JOURNAL OF CRYSTAL GROWTH 468 155 - 158 2017年06月15日

ISSN: 0022-0248

DOI
Structures and stability of polar GaN thin films on ScAlMgO4 substrate: An ab initio-based study

Nakane, H; Akiyama, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 468 93 - 96 2017年06月15日

ISSN: 0022-0248

DOI
Theoretical study for misfit dislocation formation at InAs/GaAs(001) interface

Kaida, R; Akiyama, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 468 919 - 922 2017年06月15日

ISSN: 0022-0248

DOI
Diels-Alder Cycloaddition of Cyclopentadiene and C60 at the Extreme High Pressure

Yang, T; Fukuda, R; Cammi, R; Ehara, M

JOURNAL OF PHYSICAL CHEMISTRY A 121 ( 22 ) 4363 - 4371 2017年06月08日

ISSN: 1089-5639

DOI
Influence of Film and Substrate Structure on Photoelectron Momentum Maps of Coronene Thin Films on Ag(111)

Udhardt, C; Otto, F; Kern, C; Lüftner, D; Huempfner, T; Kirchhuebel, T; Sojka, F; Meissner, M; Schr … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 22 ) 12285 - 12293 2017年06月08日

ISSN: 1932-7447

DOI
Synthesis, properties, and crystal structures of π-extended double [6]helicenes: contorted multi-dimensional stacking lattice

Fujikawa, T; Mitoma, N; Wakamiya, A; Saeki, A; Segawa, Y; Itami, K

ORGANIC & BIOMOLECULAR CHEMISTRY 15 ( 21 ) 4697 - 4703 2017年06月07日

ISSN: 1477-0520

DOI
Enantioselective decarboxylative chlorination of β-ketocarboxylic acids

Shibatomi, K; Kitahara, K; Sasaki, N; Kawasaki, Y; Fujisawa, I; Iwasa, S

NATURE COMMUNICATIONS 8 2017年06月05日

ISSN: 2041-1723

DOI
[2+2]-type Reaction of Metal-Metal σ-Bond with Fullerene Forming an η1-C60 Metal Complex: Mechanistic Details of Formation Reaction and Prediction of a New η1-C60 Metal Complex

Zheng, H; Zhao, X; Sakaki, S

INORGANIC CHEMISTRY 56 ( 11 ) 6746 - 6754 2017年06月05日

ISSN: 0020-1669

DOI
Exploring the full catalytic cycle of rhodium(I)BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation

Yoshimura, T; Maeda, S; Taketsugu, T; Sawamura, M; Morokuma, K; Mori, S

CHEMICAL SCIENCE 8 ( 6 ) 4475 - 4488 2017年06月01日

ISSN: 2041-6520

DOI
Fe, Ru, and Os complexes with the same molecular framework: comparison of structures, properties and catalytic activities

Yoshida, M; Kondo, M; Okamura, M; Kanaike, M; Haesuwannakij, S; Sakurai, H; Masaoka, S

FARADAY DISCUSSIONS 198 181 - 196 2017年06月01日

ISSN: 1359-6640

DOI
Fullerene C70 as a Nanoflask that Reveals the Chemical Reactivity of Atomic Nitrogen

Morinaka, Y; Zhang, R; Sato, S; Nikawa, H; Kato, T; Furukawa, K; Yamada, M; Maeda, Y; Murata, M; Wa … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 23 ) 6488 - 6491 2017年06月01日

ISSN: 1433-7851

DOI
Intramolecular Pancake Bonding in Helical Structures

Takamuku, S; Nakano, M; Kertesz, M

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 31 ) 7474 - 7482 2017年06月01日

ISSN: 0947-6539

DOI
Molecular catalysts for artificial photosynthesis: general discussion

Wang, M; Artero, V; Hammarström, L; Martinez, J; Karlsson, J; Gust, D; Summers, P; Machan, C; Brueg … 全著者表示

FARADAY DISCUSSIONS 198 353 - 395 2017年06月01日

ISSN: 1359-6640

DOI
Narrowband terahertz generation with chirped-and-delayed laser pulses in periodically poled lithium niobate

Ahr, F; Jolly, SW; Matlis, NH; Carbajo, S; Kroh, T; Ravi, K; Schimpf, DN; Schulte, J; Ishizuki, H; … 全著者表示

OPTICS LETTERS 42 ( 11 ) 2118 - 2121 2017年06月01日

ISSN: 0146-9592

DOI
Theoretical Study on the Open-Shell Singlet Nature and the Second Hyperpolarizabilities of Corannulene Derivatives with Two Phenoxyl Radicals

Minamida, Y; Matsui, H; Fukuda, K; Nagami, T; Fujiyoshi, J; Yoneda, K; Takamuku, S; Kishi, R; Kitag … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 121 ( 21 ) 4171 - 4179 2017年06月01日

ISSN: 1089-5639

DOI
A Theoretical Insight into Enhanced Catalytic Activity of Au by Multiple Twin Nanoparticles

Sawabe, K; Koketsu, T; Ohyama, J; Satsuma, A

CATALYSTS 7 ( 6 ) 2017年06月

DOI
Fluorescence Imaging of Disrupted Interfaces between LiquidOrdered and Liquid-Disordered Domains by a Flavin-Labeled PNA Duplex

Oka, Y; Shishino, H

ACS OMEGA 2 ( 6 ) 2912 - 2915 2017年06月

ISSN: 2470-1343

DOI
Ground-state splitting of ultrashallow thermal donors with negative central-cell corrections in silicon

Hara, A; Awano, T

JAPANESE JOURNAL OF APPLIED PHYSICS 56 ( 6 ) 2017年06月

ISSN: 0021-4922

DOI
Large-Gap Magnetic Topological Heterostructure Formed by Subsurface Incorporation of a Ferromagnetic Layer

Hirahara, T; Eremeev, SV; Shirasawa, T; Okuyama, Y; Kubo, T; Nakanishi, R; Akiyama, R; Takayama, A; … 全著者表示

NANO LETTERS 17 ( 6 ) 3493 - 3500 2017年06月

ISSN: 1530-6984

DOI
Scintillation and optical properties of Ce3+-doped CaGdAl3O7 single crystals

Mori, M; Nakauchi, D; Okada, G; Fujimoto, Y; Kawaguchi, N; Koshimizu, M; Yanagida, T

JOURNAL OF LUMINESCENCE 186 93 - 97 2017年06月

ISSN: 0022-2313

DOI
Synthesis, Structures, and Electronic Properties of Dithienosiloles Bearing Bulky Aryl Groups: Conjugation between a π-Electron System and "Perpendicular" Aryl Groups

Tsurusaki, A; Kobayashi, A; Kyushin, S

ASIAN JOURNAL OF ORGANIC CHEMISTRY 6 ( 6 ) 737 - 745 2017年06月

ISSN: 2193-5807

DOI
Theoretical Analyses of Triplet-Triplet Annihilation Process of 9,10-Diphenylanthracene in Solution

Sato, R; Kitoh-Nishioka, H; Yanai, T; Shigeta, Y

CHEMISTRY LETTERS 46 ( 6 ) 873 - 875 2017年06月

ISSN: 0366-7022

DOI
Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study

Savarese, M; Raucci, U; Fukuda, R; Adamo, C; Ehara, M; Rega, N; Ciofini, I

JOURNAL OF COMPUTATIONAL CHEMISTRY 38 ( 14 ) 1084 - 1092 2017年05月30日

ISSN: 0192-8651

DOI
Exploration of the Conformational Dynamics of Major Histocompatibility Complex Molecules

Yanaka, S; Sugase, K

FRONTIERS IN IMMUNOLOGY 8 2017年05月29日

ISSN: 1664-3224

DOI
Synthesis, Structures, and Photophysical Properties of Alternating Donor-Acceptor Cycloparaphenylenes

Nishigaki, S; Fukui, M; Sugiyama, H; Uekusa, H; Kawauchi, S; Shibata, Y; Tanaka, K

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 30 ) 7227 - 7231 2017年05月29日

ISSN: 0947-6539

DOI
Observation and the Origin of Magic Compositions of ConOm- Formed in Oxidation of Cobalt Cluster Anions

Tomihara, R; Koyasu, K; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 20 ) 10957 - 10963 2017年05月25日

ISSN: 1932-7447

DOI
Structural basis for perception of diverse chemical substances by T1r taste receptors

Nuemket, N; Yasui, N; Kusakabe, Y; Nomura, Y; Atsumi, N; Akiyama, S; Nango, E; Kato, Y; Kaneko, MK; … 全著者表示

NATURE COMMUNICATIONS 8 2017年05月23日

ISSN: 2041-1723

DOI
Diarylamino- and Diarylboryl-Substituted Donor-Acceptor Pyrene Derivatives: Influence of Substitution Pattern on Their Photophysical Properties

Kurata, R; Ito, A; Gon, M; Tanaka, K; Chujo, Y

JOURNAL OF ORGANIC CHEMISTRY 82 ( 10 ) 5111 - 5121 2017年05月19日

ISSN: 0022-3263

DOI
Core-Shell versus Other Structures in Binary Cu38-n Mn Nanoclusters (M = Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au; n=1, 2, and 6): Theoretical Insight into Determining Factors

Takagi, N; Ishimura, K; Matsui, M; Fukuda, R; Ehara, M; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 19 ) 10514 - 10528 2017年05月18日

ISSN: 1932-7447

DOI
Piecing Together the Allosteric Patterns of Chaperonin GroEL

Chen, J; Zhang, Q; Ren, WT; Li, WF

JOURNAL OF PHYSICAL CHEMISTRY B 121 ( 19 ) 4987 - 4996 2017年05月18日

ISSN: 1520-6106

DOI
Development of spin-dependent relativistic open-shell Hartree-Fock theory with time-reversal symmetry (I): The unrestricted approach

Nakano, M; Seino, J; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 117 ( 10 ) 2017年05月15日

ISSN: 0020-7608

DOI
Direct Observation of the Ultrafast Evolution of Open-Shell Biradical in Photochromic Radical Dimer

Kobayashi, Y; Okajima, H; Sotome, H; Yanai, T; Mutoh, K; Yoneda, Y; Shigeta, Y; Sakamoto, A; Miyasa … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 18 ) 6382 - 6389 2017年05月10日

ISSN: 0002-7863

DOI
"Colored" inorganic dopants for inducing liquid crystal chiral nematic and blue phases: monitoring of dopant-host interaction by Raman spectroscopy

Yoshida, J; Tamura, S; Watanabe, G; Kasahara, Y; Yuge, H

CHEMICAL COMMUNICATIONS 53 ( 37 ) 5103 - 5106 2017年05月07日

ISSN: 1359-7345

DOI
A conformational study of protonated noradrenaline by UV-UV and IR dip double resonance laser spectroscopy combined with an electrospray and a cold ion trap method

Wako, H; Ishiuchi, S; Kato, D; Féraud, G; Dedonder-Lardeux, C; Jouvet, C; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 17 ) 10777 - 10785 2017年05月07日

ISSN: 1463-9076

DOI
Genetically introduced hydrogen bond interactions reveal an asymmetric charge distribution on the radical cation of the special-pair chlorophyll P680

Nagao, R; Yamaguchi, M; Nakamura, S; Ueoka-Nakanishi, H; Noguchi, T

JOURNAL OF BIOLOGICAL CHEMISTRY 292 ( 18 ) 7474 - 7486 2017年05月05日

DOI
Hyper-Assembly of Self-Assembled Glycoclusters Mediated by Specific Carbohydrate-Carbohydrate Interactions

Yan, GW; Yamaguchi, T; Suzuki, T; Yanaka, S; Sato, S; Fujita, M; Kato, K

CHEMISTRY-AN ASIAN JOURNAL 12 ( 9 ) 968 - 972 2017年05月04日

ISSN: 1861-4728

DOI
Transient Resonance Raman Spectroscopy of a Light-Driven Sodium-Ion-Pump Rhodopsin from Indibacter alkaliphilus

Kajimoto, K; Kikukawa, T; Nakashima, H; Yamaryo, H; Saito, Y; Fujisawa, T; Demura, M; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY B 121 ( 17 ) 4431 - 4437 2017年05月04日

ISSN: 1520-6106

DOI
Quantification of concurrence via weak measurement

Tukiainen, M; Kobayashi, H; Shikano, Y

PHYSICAL REVIEW A 95 ( 5 ) 2017年05月01日

ISSN: 2469-9926

DOI
Chemical Modification of the siRNA Seed Region Suppresses Off Target Effects by Steric Hindrance to Base-Pairing with Targets

Iribe, H; Miyamoto, K; Takahashi, T; Kobayashi, Y; Leo, J; Aida, M; Ui-Tei, K

ACS OMEGA 2 ( 5 ) 2055 - 2064 2017年05月

ISSN: 2470-1343

DOI
Formation of Grignard Reagent-like Complex [CH3-M-I]- via Oxidative Addition of CH3I on Coinage Metal Anions M- (M = Cu, Ag, Au) in the Gas Phase

Muramatsu, S; Koyasu, K; Tsukuda, T

CHEMISTRY LETTERS 46 ( 5 ) 676 - 679 2017年05月

ISSN: 0366-7022

DOI
Low temperature growth of single-walled carbon nanotubes from Rh catalysts

Maruyama, T; Kozawa, A; Saida, T; Naritsuka, S; Iijima, S

CARBON 116 128 - 132 2017年05月

ISSN: 0008-6223

DOI
Optimization of complex slater-type functions with analytic derivative methods for describing photoionization differential cross sections

Matsuzaki, R; Yabushita, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 38 ( 12 ) 910 - 925 2017年05月

ISSN: 0192-8651

DOI
Prediction of Ligand Binding Affinity to Target Proteins by Molecular Mechanics Theoretical Calculation

Fuji, H; Qi, F; Qu, L; Takaesu, Y; Hoshino, T

CHEMICAL & PHARMACEUTICAL BULLETIN 65 ( 5 ) 461 - 468 2017年05月

ISSN: 0009-2363

DOI
Two-electron Reduction of Diboryldiphosphene: Formation of Intramolecular Charge-transfer Complex of Dianionic B-=P-P=B- Species

Asami, SS; Suzuki, K; Yamashita, M

CHEMISTRY LETTERS 46 ( 5 ) 686 - 689 2017年05月

ISSN: 0366-7022

DOI
Two-way correspondence between carbon nanotubes and caps: Development of a numerical algorithm and a tool for organic cap synthesis

Sugai, T; Sakurai, H

CARBON 116 678 - 685 2017年05月

ISSN: 0008-6223

DOI
Universal formulation of second-order generalized Moller-Plesset perturbation theory for a spin-dependent two-component relativistic many-electron Hamiltonian

Nakano, M; Seino, J; Nakai, H

CHEMICAL PHYSICS LETTERS 675 137 - 144 2017年05月

ISSN: 0009-2614

DOI
Crystal and Electronic Structures of [5]Radialene Substituted with Quintuple 1,3-Dithiol-2-ylidenes and Its Oxidative Species

Ueda, M; Shirahata, T; Misaki, Y

CHEMISTRYSELECT 2 ( 12 ) 3490 - 3495 2017年04月24日

ISSN: 2365-6549

DOI
A novel symmetric TTF-pyridyl thiolato zinc complex: synthesis, characterization and crystal structure analysis

Okuno, R; Yamaguchi, M; Fujiwara, H

DALTON TRANSACTIONS 46 ( 15 ) 4912 - 4916 2017年04月21日

ISSN: 1477-9226

DOI
Photoactivation Intermediates of a G-Protein Coupled Receptor Rhodopsin Investigated by a Hybrid Molecular Simulation

Kamiya, M; Hayashi, S

JOURNAL OF PHYSICAL CHEMISTRY B 121 ( 15 ) 3842 - 3852 2017年04月20日

ISSN: 1520-6106

DOI
Multicomponent DFT study of geometrical H/D isotope effect on hydrogen-bonded organic conductor, κ-H3(Cat EDT-ST)2

Yamamoto, K; Kanematsu, Y; Nagashima, U; Ueda, A; Mori, H; Tachikawa, M

CHEMICAL PHYSICS LETTERS 674 168 - 172 2017年04月16日

ISSN: 0009-2614

DOI
Lane Formation Dynamics of Oppositely Self-Driven Binary Particles: Effects of Density and Finite System Size

Ikeda, K; Kim, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 86 ( 4 ) 2017年04月15日

ISSN: 0031-9015

DOI
Synthesis of a carbon nanobelt

Povie, G; Segawa, Y; Nishihara, T; Miyauchi, Y; Itami, K

SCIENCE 356 ( 6334 ) 172 - 175 2017年04月14日

ISSN: 0036-8075

DOI
Atomically modified thin interface in metal-dielectric hetero-integrated systems: control of electronic properties

Iida, K; Nobusada, K

JOURNAL OF PHYSICS-CONDENSED MATTER 29 ( 14 ) 2017年04月12日

ISSN: 0953-8984

DOI
Exploring the complex free-energy landscape of the simplest glass by rheology

Jin, YL; Yoshino, H

NATURE COMMUNICATIONS 8 2017年04月11日

ISSN: 2041-1723

DOI
A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M1/-Al2O3 (M=Pd, Fe, Co, and Ni)

Yang, T; Fukuda, R; Hosokawa, S; Tanaka, T; Sakaki, S; Ehara, M

CHEMCATCHEM 9 ( 7 ) 1222 - 1229 2017年04月07日

ISSN: 1867-3880

DOI
Core-hole-induced dynamical effects in the x-ray emission spectrum of liquid methanol

Ljungberg, MP; Zhovtobriukh, I; Takahashi, O; Pettersson, LGM

JOURNAL OF CHEMICAL PHYSICS 146 ( 13 ) 2017年04月07日

ISSN: 0021-9606

DOI
Theoretical and experimental examination of SFG polarization analysis at acetonitrile-water solution surfaces

Saito, K; Peng, QL; Qiao, L; Wang, L; Joutsuka, T; Ishiyama, T; Ye, S; Morita, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 13 ) 8941 - 8961 2017年04月07日

ISSN: 1463-9076

DOI
First-Principles Calculations on the Crystal/Electronic Structure and Phase Stability of H-Doped SrFeO2

Kurauchi, Y; Kamisaka, H; Katayama, T; Chikamatsu, A; Hasegawa, T

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 13 ) 7478 - 7484 2017年04月06日

ISSN: 1932-7447

DOI
Ru(II)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers

Nakagawa, Y; Chanthamath, S; Fujisawa, I; Shibatomi, K; Iwasa, S

CHEMICAL COMMUNICATIONS 53 ( 26 ) 3753 - 3756 2017年04月04日

ISSN: 1359-7345

DOI
A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State

Futagoishi, T; Aharen, T; Kato, T; Kato, A; Ihara, T; Tada, T; Murata, M; Wakamiya, A; Kageyama, H; … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 15 ) 4261 - 4265 2017年04月03日

DOI
Mo-Mo Quintuple Bond is Highly Reactive in H-H, C-H, and O-H σ-Bond Cleavages Because of the Polarized Electronic Structure in Transition State

Chen, Y; Sakaki, S

INORGANIC CHEMISTRY 56 ( 7 ) 4011 - 4020 2017年04月03日

ISSN: 0020-1669

DOI
Voltammetric and Spectroscopic Studies of α- and β-[PW12O40]3-Polyoxometalates in Neutral and Acidic Media: Structural Characterization as Their [(n-Bu4N)3][Pw12O40] Salts

Ueda, T; Kodani, K; Ota, H; Shiro, M; Guo, SX; Boas, JF; Bond, AM

INORGANIC CHEMISTRY 56 ( 7 ) 3990 - 4001 2017年04月03日

ISSN: 0020-1669

DOI
Controlled Modification of Superconductivity in Epitaxial Atomic Layer-Organic Molecule Heterostructures

Yoshizawa, S; Minamitani, E; Vijayaraghavan, S; Mishra, P; Takagi, Y; Yokoyama, T; Oba, H; Nitta, J … 全著者表示

NANO LETTERS 17 ( 4 ) 2287 - 2293 2017年04月

ISSN: 1530-6984

DOI
Electronic Structure of Open-Shell Singlet Molecules: Diradical Character Viewpoint

Nakano, M

TOPICS IN CURRENT CHEMISTRY 375 ( 2 ) 2017年04月

ISSN: 2365-0869

DOI
Evaluation of Atomic Pressure in the Multiple Time-Step Integration Algorithm

Andoh, Y; Yoshii, N; Yamada, A; Okazaki, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 38 ( 10 ) 704 - 713 2017年04月

ISSN: 0192-8651

DOI
Four Aromatic Sulfates with an Inhibitory Effect against HCV NS3 Helicase from the Crinoid Alloeocomatella polycladia

Hermawan, I; Furuta, A; Higashi, M; Fujita, Y; Akimitsu, N; Yamashita, A; Moriishi, K; Tsuneda, S; … 全著者表示

MARINE DRUGS 15 ( 4 ) 2017年04月

DOI
Loss of the Phenolic Hydroxyl Group and Aromaticity from the Side Chain of Anti-Proliferative 10-Methyl-aplog-1, a Simplified Analog of Aplysiatoxin, Enhances Its Tumor-Promoting and Proinflammatory Activities

Hanaki, Y; Kikumori, M; Tokuda, H; Okamura, M; Dan, SG; Adachi, N; Saito, N; Yanagita, RC; Irie, K

MOLECULES 22 ( 4 ) 2017年04月

DOI
Partially Fluoride-Substituted Hydroxyapatite as a Suitable Support for the Gold-Catalyzed Homocoupling of Phenylboronic Acid: An Example of Interface Modification

Haesuwannakij, S; Yakiyama, Y; Sakurai, H

ACS CATALYSIS 7 ( 4 ) 2998 - 3003 2017年04月

ISSN: 2155-5435

DOI
Relativistic effect on enthalpy of formation for transition-metal complexes

Nakajima, YY; Seino, JJ; Nakai, HM

CHEMICAL PHYSICS LETTERS 673 24 - 29 2017年04月

ISSN: 0009-2614

DOI
Strain Engineering for Anion Arrangement in Perovskite Oxynitrides

Oka, D; Hirose, Y; Matsui, F; Kamisaka, H; Oguchi, T; Maejima, N; Nishikawa, H; Muro, T; Hayashi, K … 全著者表示

ACS NANO 11 ( 4 ) 3860 - 3866 2017年04月

ISSN: 1936-0851

DOI
Synthesis, Structure, and Electrochemical Property of a Bimetallic Bis-2-pyridylidene Palladium Acetate Complex

Yoshidomi, T; Fukushima, T; Itami, K; Segawa, Y

CHEMISTRY LETTERS 46 ( 4 ) 587 - 590 2017年04月

ISSN: 0366-7022

DOI
Systematic Investigation of the Thermodynamic Properties of Amine Solvents for CO2 Chemical Absorption Using the Cluster-Continuum Model

Teranishi, K; Ishikawa, A; Sato, H; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 90 ( 4 ) 451 - 460 2017年04月

ISSN: 0009-2673

DOI
Development of an excited-state calculation method for large systems using dynamical polarizability: A divide-and-conquer approach at the time-dependent density functional level

Nakai, H; Yoshikawa, T

JOURNAL OF CHEMICAL PHYSICS 146 ( 12 ) 2017年03月28日

ISSN: 0021-9606

DOI
Origin of high oxygen reduction reaction activity of Pt12 and strategy to obtain better catalyst using sub-nanosized Pt-alloy clusters

Miyazaki, K; Mori, H

SCIENTIFIC REPORTS 7 2017年03月28日

ISSN: 2045-2322

DOI
Cooperatively Interlocked [2+1]-Type π-System-Anion Complexes

Yamakado, R; Ashida, Y; Sato, R; Shigeta, Y; Yasuda, N; Maeda, H

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 17 ) 4160 - 4168 2017年03月23日

ISSN: 0947-6539

DOI
Structural insights into the nucleotide base specificity of P2X receptors

Kasuya, G; Fujiwara, Y; Tsukamoto, H; Morinaga, S; Ryu, S; Touhara, K; Ishitani, R; Furutani, Y; Ha … 全著者表示

SCIENTIFIC REPORTS 7 2017年03月23日

ISSN: 2045-2322

DOI
Decasilahexahydrotriquinacene and Decasilaisotwistane: σ Conjugation on a Bowl Surface

Tsurusaki, A; Koyama, Y; Kyushin, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 11 ) 3982 - 3985 2017年03月22日

ISSN: 0002-7863

DOI
Valence engineering of ionic molecular crystals: monovalent-divalent phase diagram for biferrocene-tetracyanoquinodimethane salts

Mochida, T; Funasako, Y; Akasaka, T; Uruichi, M; Mori, H

CRYSTENGCOMM 19 ( 11 ) 1449 - 1453 2017年03月21日

ISSN: 1466-8033

DOI
Linear Triplatinum Tetrahydride Complex Supported by Triphosphine Ligands, [Pt3(μ-H)2(H)2(μ-dpmp)2](BF4)2 {dpmp = bis(diphenylphosphinomethyl)phenylphosphine}

Tanase, T; Yamamoto, K; Hatano, R; Nakamae, K; Kure, B; Ura, Y; Nakajima, T

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 11 ) 1422 - 1426 2017年03月17日

ISSN: 1434-1948

DOI
Tetraalkoxyphenanthrene-Fused Thiadiazoloquinoxalines: Synthesis, Electronic, Optical, and Electrochemical Properties, and Self-Assembly

Kato, SI; Watanabe, K; Tamura, M; Ueno, M; Nitani, M; Ie, Y; Aso, Y; Yamanobe, T; Uehara, H; Nakamu … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 82 ( 6 ) 3132 - 3143 2017年03月17日

ISSN: 0022-3263

DOI
Single-Crystal Pentacene Valence-Band Dispersion and Its Temperature Dependence

Nakayama, Y; Mizuno, Y; Hikasa, M; Yamamoto, M; Matsunami, M; Ideta, S; Tanaka, K; Ishii, H; Ueno, N

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 8 ( 6 ) 1259 - 1264 2017年03月16日

ISSN: 1948-7185

DOI
Growth and atomic structure of tellurium thin films grown on Bi2Te3

Okuyama, Y; Sugiyama, Y; Ideta, S; Tanaka, K; Hirahara, T

APPLIED SURFACE SCIENCE 398 125 - 129 2017年03月15日

ISSN: 0169-4332

DOI
Single-component molecular material hosting antiferromagnetic and spin-gapped Mott subsystems

Takagi, R; Hamai, T; Gangi, H; Miyagawa, K; Zhou, B; Kobayashi, A; Kanoda, K

PHYSICAL REVIEW B 95 ( 9 ) 2017年03月15日

ISSN: 2469-9950

DOI
Synthesis of Quinoidal Fused Oligosiloles by Rhodium-Catalyzed Stitching Reaction and Theoretical Investigation of Their Properties

Shintani, R; Misawa, N; Tsuda, T; Iino, R; Fujii, M; Yamashita, K; Nozaki, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 10 ) 3861 - 3867 2017年03月15日

ISSN: 0002-7863

DOI
Versatility of a localized surface plasmon resonance-based gold nanoparticle-alloyed quantum dot nanobiosensor for immunofluorescence detection of viruses

Takemura, K; Adegoke, O; Takahashi, N; Kato, T; Li, TC; Kitamoto, N; Tanaka, T; Suzuki, T; Park, EY

BIOSENSORS & BIOELECTRONICS 89 998 - 1005 2017年03月15日

ISSN: 0956-5663

DOI
Electron transfer pathways in a multiheme cytochrome MtrF

Watanabe, HC; Yamashita, Y; Ishikita, H

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 114 ( 11 ) 2916 - 2921 2017年03月14日

ISSN: 0027-8424

DOI
Preparation and catalytic performance of a molecularly imprinted Pd complex catalyst for Suzuki cross-coupling reactions

Muratsugu, S; Maity, N; Baba, H; Tasaki, M; Tada, M

DALTON TRANSACTIONS 46 ( 10 ) 2017年03月14日

ISSN: 1477-9226

DOI
Different Antiferromagnetic Coupling between 5,5′- and 10,10′-Linked Iron(III) Corrole Dimers

Tanaka, T; Ooi, S; Ide, Y; Ikeue, T; Suzuki, M; Chen, PPY; Takahashi, M; Osuka, A

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 10 ) 1374 - 1381 2017年03月10日

ISSN: 1434-1948

DOI
Metal-Organic Cuboctahedra for Synthetic Ion Channels with Multiple Conductance States

Kawano, R; Horike, N; Hijikata, Y; Kondo, M; Carné-Sánchez, A; Larpent, P; Ikemura, S; Osaki, T; Ka … 全著者表示

CHEM 2 ( 3 ) 393 - 403 2017年03月09日

ISSN: 2451-9294

DOI
Microscopic Mechanisms of Initial Formation Process of Graphene on SiC(0001) Surfaces: Selective Si Desorption from Step Edges

Imoto, F; Iwata, JI; Boero, M; Oshiyama, A

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 9 ) 5041 - 5049 2017年03月09日

ISSN: 1932-7447

DOI
Unusual Water Hydrogen Bond Network around Hydrogenated Nanodiamonds

Petit, T; Puskar, L; Dolenko, T; Choudhury, S; Ritter, E; Burikov, S; Laptinskiy, K; Brzustowski, Q … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 9 ) 5185 - 5194 2017年03月09日

ISSN: 1932-7447

DOI
Classification of epitaxy in reciprocal and real space: rigid versus flexible lattices

Forker, R; Meissner, M; Fritz, T

SOFT MATTER 13 ( 9 ) 1748 - 1758 2017年03月07日

ISSN: 1744-683X

DOI
Near-field spectroscopic properties of complementary gold nanostructures: applicability of Babinet's principle in the optical region

Mizobata, H; Ueno, K; Misawa, H; Okamoto, H; Imura, K

OPTICS EXPRESS 25 ( 5 ) 5279 - 5289 2017年03月06日

ISSN: 1094-4087

DOI
Synthesis of Alkynylmethylidene-benzoxasiloles through a Rhodium-Catalyzed Cycloisomerization Involving 1,2-Silicon and 1,3-Carbon Migration

Namba, T; Kawauchi, S; Shibata, Y; Kanno, H; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 11 ) 3004 - 3008 2017年03月06日

ISSN: 1433-7851

DOI
Theoretical Study of the Heterolytic σ Bond Cleavage on the Ge=O Bond of Germanone. An Insight into the Driving Force from Both Electronic and Dynamical Aspects

Matsubara, T; Ito, T

JOURNAL OF PHYSICAL CHEMISTRY A 121 ( 8 ) 1769 - 1779 2017年03月02日

ISSN: 1089-5639

DOI
A misfolded dimer of Cu/Zn-superoxide dismutase leading to pathological oligomerization in amyotrophic lateral sclerosis

Anzai, I; Tokuda, E; Mukaiyama, A; Akiyama, S; Endo, F; Yamanaka, K; Misawa, H; Furukawa, Y

PROTEIN SCIENCE 26 ( 3 ) 484 - 496 2017年03月

ISSN: 0961-8368

DOI
Heteropoly Acid Supported on Silica Gel as Catalyst for the Asymmetric Transfer Allylation of Aromatic Aldehydes under Solvent-Free Conditions

Nunokawa, S; Oki, K; Yamashita, K; Okuyama, A; Ueda, T; Nakano, K; Ichikawa, Y; Kotsuki, H

SYNLETT 28 ( 5 ) 597 - 600 2017年03月

ISSN: 0936-5214

DOI
Macrocyclic Oligothiophene with Stereogenic [2.2] Paracyclophane Scaffolds: Chiroptical Properties from π-Transannular Interactions

Hasegawa, M; Kobayakawa, K; Matsuzawa, H; Nishinaga, T; Hirose, T; Sako, K; Mazaki, Y

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 14 ) 3267 - 3271 2017年03月

ISSN: 0947-6539

DOI
Phenanthro[9,10-a]corannulene by one-step annulative π-extension of corannulene

Kato, K; Segawa, Y; Itami, K

CANADIAN JOURNAL OF CHEMISTRY 95 ( 3 ) 329 - 333 2017年03月

ISSN: 0008-4042

DOI
Unveiling the Evolutions of Nanotube Diameter Distribution during the Growth of Single-Walled Carbon Nanotubes

Navas, H; Picher, M; Andrieux-Ledier, A; Fossard, F; Michel, T; Kozawa, A; Maruyama, T; Anglaret, E … 全著者表示

ACS NANO 11 ( 3 ) 3081 - 3088 2017年03月

ISSN: 1936-0851

DOI
A simple formula to predict the influence of the near-field in the optical control of confined electron systems

Takeuchi, T; Ohnuki, S; Sako, T

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 50 ( 4 ) 2017年02月28日

ISSN: 0953-4075

DOI
Development of theoretical approach for describing electronic properties of hetero-interface systems under applied bias voltage

Iida, K; Noda, M; Nobusada, K

JOURNAL OF CHEMICAL PHYSICS 146 ( 8 ) 2017年02月28日

ISSN: 0021-9606

DOI
Angular Momentum of Twisted Radiation from an Electron in Spiral Motion

Katoh, M; Fujimoto, M; Kawaguchi, H; Tsuchiya, K; Ohmi, K; Kaneyasu, T; Taira, Y; Hosaka, M; Mochih … 全著者表示

PHYSICAL REVIEW LETTERS 118 ( 9 ) 2017年02月27日

ISSN: 0031-9007

DOI
Development of a Classical Interatomic Potential for MAPbBr3

Hata, T; Giorgi, G; Yamashita, K; Caddeo, C; Mattoni, A

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 7 ) 3724 - 3733 2017年02月23日

ISSN: 1932-7447

DOI
First-Principles Calculations That Clarify Energetics and Reactions of Oxygen Adsorption and Carbon Desorption on 4H-SiC (11(2)over-bar0) Surface

Li, H; Matsushita, YI; Boero, M; Oshiyama, A

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 7 ) 3920 - 3928 2017年02月23日

ISSN: 1932-7447

DOI
Cleaving Dihydrogen with Tetra(o-tolyl)diborane(4)

Tsukahara, N; Asakawa, H; Lee, KH; Lin, Z; Yamashita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 7 ) 2593 - 2596 2017年02月22日

ISSN: 0002-7863

DOI
Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules

Shoji, Y; Ikabata, Y; Wang, Q; Nemoto, D; Sakamoto, A; Tanaka, N; Seino, J; Nakai, H; Fukushima, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 7 ) 2728 - 2733 2017年02月22日

ISSN: 0002-7863

DOI
Long-Range Intramolecular Electronic Communication in a Trinuclear Ruthenium Tropolonate Complex

Yoshida, J; Kuwahara, K; Suzuki, K; Yuge, H

INORGANIC CHEMISTRY 56 ( 4 ) 1846 - 1856 2017年02月20日

ISSN: 0020-1669

DOI
The Salts of Copper Octafluoro-and Hexadecafluorophthalocyanines Containing [CuII(F8Pc)4-]2- Dianions and [CuF16Pc]- Monoanions

Konarev, DV; Troyanov, SI; Kuzmin, AV; Nakano, Y; Ishikawa, M; Faraonov, MA; Khasanov, SS; Litvinov … 全著者表示

INORGANIC CHEMISTRY 56 ( 4 ) 1804 - 1813 2017年02月20日

ISSN: 0020-1669

DOI
Computational Studies on Reaction Mechanism and Origins of Selectivities in Nickel-Catalyzed (2+2+2) Cycloadditions and Alkenylative Cyclizations of 1,6-Ene-Allenes and Alkenes

Yang, T; Ehara, M

JOURNAL OF ORGANIC CHEMISTRY 82 ( 4 ) 2150 - 2159 2017年02月17日

ISSN: 0022-3263

DOI
Limitations in photoionization of helium by an extreme ultraviolet optical vortex

Kaneyasu, T; Hikosaka, Y; Fujimoto, M; Konomi, T; Katoh, M; Iwayama, H; Shigemasa, E

PHYSICAL REVIEW A 95 ( 2 ) 2017年02月17日

ISSN: 2469-9926

DOI
Charge Carrier Trapping at Surface Defects of Perovskite Solar Cell Absorbers: A First-Principles Study

Uratani, H; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 8 ( 4 ) 742 - 746 2017年02月16日

ISSN: 1948-7185

DOI
Conformational Analysis of a High-Mannose-Type Oligosaccharide Displaying Glucosyl Determinant Recognised by Molecular Chaperones Using NMR-Validated Molecular Dynamics Simulation

Suzuki, T; Kajino, M; Yanaka, S; Zhu, T; Yagi, H; Satoh, T; Yamaguchi, T; Kato, K

CHEMBIOCHEM 18 ( 4 ) 396 - 401 2017年02月16日

ISSN: 1439-4227

DOI
Divide-and-Conquer-Type Density-Functional Tight-Binding Simulations of Hydroxide Ion Diffusion in Bulk Water

Sakti, AW; Nishimura, Y; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY B 121 ( 6 ) 1362 - 1371 2017年02月16日

ISSN: 1520-6106

DOI
Hybrid Catalysis Enabling Room-Temperature Hydrogen Gas Release from N-Heterocycles and Tetrahydronaphthalenes

Kato, S; Saga, Y; Kojima, M; Fuse, H; Matsunaga, S; Fukatsu, A; Kondo, M; Masaoka, S; Kanai, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 6 ) 2204 - 2207 2017年02月15日

ISSN: 0002-7863

DOI
Relativistic corrections for single- and double-core excitation at the K- and L-edges from Li to Kr

Takahashi, O

COMPUTATIONAL AND THEORETICAL CHEMISTRY 1102 80 - 86 2017年02月15日

ISSN: 2210-271X

DOI
The 10% Gd and Ti co-doped BiFeO3: A promising multiferroic material

Basith, MA; Billah, A; Jalil, MA; Yesmin, N; Sakib, MA; Ashik, EK; Yousuf, SMEH; Chowdhury, SS; Hos … 全著者表示

JOURNAL OF ALLOYS AND COMPOUNDS 694 792 - 799 2017年02月15日

ISSN: 0925-8388

DOI
Band-unfolding approach to moire-induced band-gap opening and Fermi level velocity reduction in twisted bilayer graphene

Nishi, H; Matsushita, YI; Oshiyama, A

PHYSICAL REVIEW B 95 ( 8 ) 2017年02月14日

ISSN: 2469-9950

DOI
Revisiting secondary interactions in neighboring group participation, exemplified by reactivity changes of iminylium intermediates

Ning, YT; Fukuda, T; Ikeda, H; Otani, Y; Kawahata, M; Yamaguchi, K; Ohwada, T

ORGANIC & BIOMOLECULAR CHEMISTRY 15 ( 6 ) 1381 - 1392 2017年02月14日

ISSN: 1477-0520

DOI
Magnetic properties of the S=1/2 honeycomb lattice antiferromagnet 2-Cl-3,6-F2-V

Okabe, T; Yamaguchi, H; Kittaka, S; Sakakibara, T; Ono, T; Hosokoshi, Y

PHYSICAL REVIEW B 95 ( 7 ) 2017年02月13日

ISSN: 2469-9950

DOI
Asymmetric hydrogen bonding in formic acid-nitric acid dimer observed by quantum molecular dynamics simulations

Ngaojampa, C; Kawatsu, T; Oba, Y; Kungwan, N; Tachikawa, M

THEORETICAL CHEMISTRY ACCOUNTS 136 ( 3 ) 2017年02月09日

ISSN: 1432-881X

DOI
An atomic-level insight into the basic mechanism responsible for the enhancement of the catalytic oxidation of carbon monoxide on a Cu/CeO2 surface

Koizumi, K; Nobusada, K; Boero, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 5 ) 3498 - 3505 2017年02月07日

ISSN: 1463-9076

DOI
Nanofabricated optical tuning and epitaxial overgrowth of In2S3 shells on CdSe cores

Adegoke, O; Park, EY

NEW JOURNAL OF CHEMISTRY 41 ( 3 ) 1303 - 1312 2017年02月07日

ISSN: 1144-0546

DOI
Probing the electronic structures of Con (n=1-5) clusters on γ-Al2O3 surfaces using first-principles calculations

Yang, T; Ehara, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 5 ) 3679 - 3687 2017年02月07日

ISSN: 1463-9076

DOI
Quasi phase-matched quartz for intense-laser pumped wavelength conversion

Ishizuki, H; Taira, T

OPTICS EXPRESS 25 ( 3 ) 2369 - 2376 2017年02月06日

ISSN: 1094-4087

DOI
Conformational Transition from Catalytic Dwell to ATP-Binding Dwell in F1-ATPase

Okazaki, K; Sugawa, M; Hummer, G

BIOPHYSICAL JOURNAL 112 ( 3 ) 278A - 278A 2017年02月03日

ISSN: 0006-3495

DOI
K+ Occupancy in the Cavity Determines the Ion Permeation Rate through the KV1.2 Channel

Sumikama, T; Oiki, S

BIOPHYSICAL JOURNAL 112 ( 3 ) 542A - 543A 2017年02月03日

ISSN: 0006-3495

DOI
Static and Dynamic Roles of Proteins in Proline Isomerization Reactions

Mori, T; Saito, S

BIOPHYSICAL JOURNAL 112 ( 3 ) 498A - 498A 2017年02月03日

ISSN: 0006-3495

DOI
Interstitial-Dependent Enhanced Photoluminescence: A Near-Field Microscopy on Single Spheroid to Dimer, Tetramer, and Few Particles Gold Nanoassembly

Hossain, MK; Kitajima, M; Imura, K; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 4 ) 2344 - 2354 2017年02月02日

ISSN: 1932-7447

DOI
Discrimination between naphthacene and triphenylene using cellulose tris(4-methylbenzoate) and cellulose tribenzoate: A computational study

Murakami, Y; Shibata, T; Ueda, K

CARBOHYDRATE RESEARCH 439 35 - 43 2017年02月01日

ISSN: 0008-6215

DOI
Isolation and Characterization of Radical Anions Derived from a Boryl-Substituted Diphosphene

Asami, S; Ishida, S; Iwamoto, T; Suzuki, K; Yamashita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 6 ) 1658 - 1662 2017年02月01日

ISSN: 1433-7851

DOI
A Fully Charge-Delocalized Two-Dimensional Porphyrin System with Two Different Class III States

Mishiba, K; Ono, M; Tanaka, Y; Akita, M

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 9 ) 2067 - 2076 2017年02月

ISSN: 0947-6539

DOI
Changes in the Electronic States of Low-Temperature Solid n-Tetradecane: Decrease in the HOMO-LUMO Gap

Morisawa, Y; Tachibana, S; Ikehata, A; Yang, T; Ehara, M; Ozaki, Y

ACS OMEGA 2 ( 2 ) 618 - 625 2017年02月

ISSN: 2470-1343

DOI
Direct Imaging of Laser-driven Ultrafast Molecular Rotation

Mizuse, K; Fujimoto, R; Mizutani, N; Ohshima, Y

JOVE-JOURNAL OF VISUALIZED EXPERIMENTS ( 120 ) 2017年02月

ISSN: 1940-087X

DOI
Direct MALDI-MS analysis of the disulfide bonds in peptide using thiosalicylic acid as a reactive matrix

Asakawa, D; Osaka, I

JOURNAL OF MASS SPECTROMETRY 52 ( 2 ) 127 - 131 2017年02月

ISSN: 1076-5174

DOI
Emulation of complex open quantum systems using superconducting qubits

Mostame, S; Huh, J; Kreisbeck, C; Kerman, AJ; Fujita, T; Eisfeld, A; Aspuru-Guzik, A

QUANTUM INFORMATION PROCESSING 16 ( 2 ) 2017年02月

ISSN: 1570-0755

DOI
High anisotropy and frustration: the keys to regulating protein function efficiently in crowded environments

Kitao, A; Takemura, K

CURRENT OPINION IN STRUCTURAL BIOLOGY 42 50 - 58 2017年02月

ISSN: 0959-440X

DOI
Influence of Precipitants on Molecular Arrangements and Space Groups of Protein Crystals

Fudo, S; Qi, F; Nukaga, M; Hoshino, T

CRYSTAL GROWTH & DESIGN 17 ( 2 ) 534 - 542 2017年02月

ISSN: 1528-7483

DOI
Magnetic and Optical Properties of Layered (Me4P+)[MIVO(Pc•3-)]•-(TPC)0.5•C6H4Cl2 Salts (M = Ti and V) Composed of π-Stacking Dimers of Titanyl and Vanadyl Phthalocyanine Radical Anions

Konarev, DV; Nakano, Y; Khasanov, SS; Kuzmin, AV; Ishikawa, M; Otsuka, A; Yamochi, H; Saito, G; Lyu … 全著者表示

CRYSTAL GROWTH & DESIGN 17 ( 2 ) 753 - 762 2017年02月

ISSN: 1528-7483

DOI
Use of Charge-Charge Repulsion to Enhance π-Electron Delocalization into Anti-Aromatic and Aromatic Systems

Sumita, A; Gasonoo, M; Boblak, KJ; Ohwada, T; Klumpp, DA

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 11 ) 2566 - 2570 2017年02月

ISSN: 0947-6539

DOI
Chemoselective generation of acyl phosphates, acylium ion equivalents, from carboxylic acids and an organophosphate ester in the presence of a Bronsted acid

Sumita, A; Otani, Y; Ohwada, T

CHEMICAL COMMUNICATIONS 53 ( 9 ) 1482 - 1485 2017年01月31日

ISSN: 1359-7345

DOI
Atomic force microscope manipulation of Ag atom on the Si(111) surface

Enkhtaivan, B; Oshiyama, A

PHYSICAL REVIEW B 95 ( 3 ) 2017年01月30日

ISSN: 2469-9950

DOI
Electronic and vibrational structures in the S0 and S1 states of coronene

Kunishige, S; Kanaoka, A; Katori, T; Kawabata, M; Baba, M; Yamanaka, T; Higashibayashi, S; Sakurai, … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 146 ( 4 ) 2017年01月28日

ISSN: 0021-9606

DOI
Anion Ordering in CaTaO2N: Structural Impact on the Photocatalytic Activity. Insights from First-Principles

Kubo, A; Giorgi, G; Yamashita, K

CHEMISTRY OF MATERIALS 29 ( 2 ) 539 - 545 2017年01月24日

ISSN: 0897-4756

DOI
Substrate Binding by a Parallel Metal Sheet Sandwich Complex: A Unique Role of an Additional Metal Atom

Ishikawa, Y; Yamamoto, K; Murahashi, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 5 ) 1346 - 1350 2017年01月24日

ISSN: 1433-7851

DOI
Raman optical activity of tetra-alanine in the poly(L-proline) II type peptide conformation

Furuta, M; Fujisawa, T; Urago, H; Eguchi, T; Shingae, T; Takahashi, S; Blanch, EW; Unno, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 3 ) 2078 - 2086 2017年01月21日

ISSN: 1463-9076

DOI
Luminescent Superbenzene with Diarylamino and Diarylboryl Groups

Kurata, R; Kaneda, K; Ito, A

ORGANIC LETTERS 19 ( 2 ) 392 - 395 2017年01月20日

ISSN: 1523-7060

DOI
"Helix-in-Helix" Superstructure Formation through Encapsulation of Fullerene-Bound Helical Peptides within a Helical Poly(methyl methacrylate) Cavity

Ousaka, N; Mamiya, F; Iwata, Y; Nishimura, K; Yashima, E

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 ( 3 ) 791 - 795 2017年01月16日

ISSN: 1433-7851

DOI
General Formalism of Mass Scaling Approach for Replica-Exchange Molecular Dynamics and its Application

Nagai, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 86 ( 1 ) 2017年01月15日

ISSN: 0031-9015

DOI
Size-controlled preparation of peroxidase-like graphene-gold nanoparticle hybrids for the visible detection of norovirus-like particles

Ahmed, SR; Takemeura, K; Li, TC; Kitamoto, N; Tanaka, T; Suzuki, T; Park, EY

BIOSENSORS & BIOELECTRONICS 87 558 - 565 2017年01月15日

ISSN: 0956-5663

DOI
Photofragment ion imaging from mass-selected Mg+BrCH3 complex: Dissociation mechanism following photoinduced charge transfer

Okutsu, K; Yamazaki, K; Ohshimo, K; Misaizu, F

JOURNAL OF CHEMICAL PHYSICS 146 ( 2 ) 2017年01月14日

ISSN: 0021-9606

DOI
Sumanene derivatives functionalized at the internal carbon

Ngamsomprasert, N; Dang, JS; Higashibayashi, S; Yakiyama, Y; Sakurai, H

CHEMICAL COMMUNICATIONS 53 ( 4 ) 697 - 700 2017年01月14日

ISSN: 1359-7345

DOI
Theoretical study on substituent and solvent effects for nanocubes formed with gear-shaped amphiphile molecules

Mashiko, T; Hiraoka, S; Nagashima, U; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 ( 2 ) 1627 - 1631 2017年01月14日

ISSN: 1463-9076

DOI
Femtosecond Raman-Induced Kerr Effect Study of Temperature Dependent Intermolecular Dynamics in Imidazolium-Based Ionic Liquids: Effects of Anion Species and Cation Alkyl Groups

Kakinuma, S; Ishida, T; Shirota, H

JOURNAL OF PHYSICAL CHEMISTRY B 121 ( 1 ) 250 - 264 2017年01月12日

ISSN: 1520-6106

DOI
Integration of Active Nickel Oxide Clusters by Amino Acids for Water Oxidation

Yoshida, M; Onishi, S; Mitsutomi, Y; Yamamoto, F; Nagasaka, M; Yuzawa, H; Kosugi, N; Kondoh, H

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 1 ) 255 - 260 2017年01月12日

ISSN: 1932-7447

DOI
Low-lying π* resonances associated with cyano groups: A CAP/SAC-CI study

Ehara, M; Kanazawa, Y; Sommerfeld, T

CHEMICAL PHYSICS 482 169 - 177 2017年01月12日

ISSN: 0301-0104

DOI
Molecular Dynamics Study of Nitrogen-Pyramidalized Bicyclic β-Proline Oligomers: Length-Dependent Convergence to Organized Structures

Otani, Y; Watanabe, S; Ohwada, T; Kitao, A

JOURNAL OF PHYSICAL CHEMISTRY B 121 ( 1 ) 100 - 109 2017年01月12日

ISSN: 1520-6106

DOI
Structures of Bimetallic Copper Ruthenium Nanoparticles: Incoherent Interface and Surface Active Sites for Catalytic Nitric Oxide Dissociation

Fukuda, R; Takagi, N; Sakaki, S; Ehara, M

JOURNAL OF PHYSICAL CHEMISTRY C 121 ( 1 ) 300 - 307 2017年01月12日

ISSN: 1932-7447

DOI
Indole Synthesis via Cyclative Formation of 2,3-Dizincioindoles and Regioselective Electrophilic Trapping

Ilies, L; Isomura, M; Yamauchi, SI; Nakamura, T; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 ( 1 ) 23 - 26 2017年01月11日

ISSN: 0002-7863

DOI
Thermal ionization and thermally activated crossover quenching processes for 5d-4f luminescence in Y3Al5-xGaxO12 : Pr3+

Ueda, J; Meijerink, A; Dorenbos, P; Bos, AJJ; Tanabe, S

PHYSICAL REVIEW B 95 ( 1 ) 2017年01月11日

ISSN: 2469-9950

DOI
Spin-crossover between high-spin (S=5/2) and low-spin (S=1/ 2) states in six-coordinate iron(III) porphyrin complexes having two pyridine-N oxide derivatives

Ide, Y; Murai, N; Ishimae, H; Suzuki, M; Mori, S; Takahashi, M; Nakamura, M; Yoshino, K; Ikeue, T

DALTON TRANSACTIONS 46 ( 1 ) 242 - 249 2017年01月07日

ISSN: 1477-9226

DOI
Theoretical Study of Nickel-Catalyzed Selective Alkenylation of Pyridine: Reaction Mechanism and Crucial Roles of Lewis Acid and Ligands in Determining the Selectivity

Singh, V; Nakao, Y; Sakaki, S; Deshmukh, MM

JOURNAL OF ORGANIC CHEMISTRY 82 ( 1 ) 289 - 301 2017年01月06日

ISSN: 0022-3263

DOI
Mesityl-Substituted Acene Radical Cations: Decent Stability Comparable to Their Neutral States under Ambient Light and Air

Uebe, M; Kawashima, K; Takahashi, K; Ito, A

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 2 ) 278 - 281 2017年01月05日

ISSN: 0947-6539

DOI
Synthesis and properties of [8]-, [10]-, [12]-, and [16] cyclo-1,4-naphthylenes

Okada, K; Yagi, A; Segawa, Y; Itami, K

CHEMICAL SCIENCE 8 ( 1 ) 661 - 667 2017年01月01日

ISSN: 2041-6520

DOI
A Novel Clerodane Diterpene from Vitex cofassus

Rasyid, FA; Fukuyoshi, S; Ando, H; Miyake, K; Atsumi, T; Fujie, T; Saito, Y; Goto, M; Shinya, T; Mi … 全著者表示

CHEMICAL & PHARMACEUTICAL BULLETIN 65 ( 1 ) 116 - 120 2017年01月

ISSN: 0009-2363

DOI
Achiral Molecular Recognition of Aromatic Position Isomers by Polysaccharide-Based CSPs in Relation to Chiral Recognition

Shibata, T; Shinkura, S; Ohnishi, A; Ueda, K

MOLECULES 22 ( 1 ) 2017年01月

DOI
Chemically synthesized magnetic Co-Fe-Ga alloy nanoparticles

Imai, T; Shima, M

JAPANESE JOURNAL OF APPLIED PHYSICS 56 ( 1 ) 2017年01月

ISSN: 0021-4922

DOI
Detailed Structural Analysis of a Self-Assembled Vesicular Amphiphilic NCN-Pincer Palladium Complex by Using Wide-Angle X-Ray Scattering and Molecular Dynamics Calculations

Hamasaka, G; Muto, T; Andoh, Y; Fujimoto, K; Kato, K; Takata, M; Okazaki, S; Uozumi, Y

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 6 ) 1291 - 1298 2017年01月

ISSN: 0947-6539

DOI
Efficient Pole-Search Algorithm for Dynamic Polarizability: Toward Alternative Excited-State Calculation for Large Systems

Nakai, H; Yoshikawa, T; Nonaka, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 38 ( 1 ) 7 - 14 2017年01月

ISSN: 0192-8651

DOI
Pluronic micelle-encapsulated red-photoluminescent chlorophyll derivative for biocompatible cancer cell imaging

Li, Y; Zhang, FL; Wang, XF; Chen, G; Fu, XQ; Tian, WJ; Kitao, O; Tamiaki, H; Sasaki, SI

DYES AND PIGMENTS 136 17 - 23 2017年01月

ISSN: 0143-7208

DOI
Simple but Efficient Method for Inhibiting Sintering and Aggregation of Catalytic Pt Nanoclusters on Metal-Oxide Supports

Koizumi, K; Nobusada, K; Boero, M

CHEMISTRY-A EUROPEAN JOURNAL 23 ( 7 ) 1531 - 1538 2017年01月

ISSN: 0947-6539

DOI
Synthesis of Triaryltriazasumanenes

Kaewmati, P; Tan, QT; Higashibayashi, S; Yakiyama, Y; Sakurai, H

CHEMISTRY LETTERS 46 ( 1 ) 146 - 148 2017年01月

ISSN: 0366-7022

DOI
A simple coarse-grained model for interacting protein complex

Kawaguchi, K; Nakagawa, S; Kinoshita, S; Wada, M; Saito, H; Nagao, H

MOLECULAR PHYSICS 115 ( 5 ) 587 - 597 2017年

ISSN: 0026-8976

DOI
Application of soft X-ray microscopy to environmental microbiology of hydrosphere

Takemoto, K; Yoshimura, M; Ohigashi, T; Inagaki, Y; Namba, H; Kihara, H

X-RAY MICROSCOPY CONFERENCE 2016 (XRM 2016) 849 2017年

ISBN: *****************

ISSN: 1742-6588

DOI
Electron-Spin Resonance of Type II Si-Clathrate Thin Film for New Solar Cell Material

Yamaga, M; Kishita, T; Kume, T; Uehara, K; Nomura, M; Ohashi, F; Ban, T; Nonomura, S

3RD INTERNATIONAL CONGRESS ON ENERGY EFFICIENCY AND ENERGY RELATED MATERIALS (ENEFM2015) 2017年

ISBN: 978-3-319-45676-8

ISSN: 2352-2534

DOI
Enhancement of the helical twisting power of a ruthenium complex by the introduction of an achiral bulky unit

Yoshida, J; Kuwahara, K; Tamura, S; Yuge, H; Watanabe, G

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 647 ( 1 ) 179 - 185 2017年

ISSN: 1542-1406

DOI
Influence of the choice of projection manifolds in the CASPT2 implementation

Yanai, T; Kurashige, Y; Saitow, M; Chalupsky, J; Lindh, R; Malmqvist, PÅ

MOLECULAR PHYSICS 115 ( 17-18 ) 2077 - 2085 2017年

ISSN: 0026-8976

DOI
Investigation of Measurement Condition for 3-Dimensional Spectroscopy by Scanning Transmission X-ray Microscopy

Ohigashi, T; Inagaki, Y; Ito, A; Shinohara, K; Kosugi, N

X-RAY MICROSCOPY CONFERENCE 2016 (XRM 2016) 849 2017年

ISBN: *****************

ISSN: 1742-6588

DOI
Label-free characterization of articular cartilage in osteoarthritis model mice by Raman spectroscopy

Oshima, Y; Akehi, M; Kiyomatsu, H; Miura, H

ADVANCED BIOMEDICAL AND CLINICAL DIAGNOSTIC AND SURGICAL GUIDANCE SYSTEMS XV 10054 2017年

ISBN: 978-1-5106-0550-3

ISSN: 0277-786X

DOI
MOLECULAR STRUCTURE AND SPECTROSCOPIC PROPERTIES OF [2,3,9,10,16,17,23,24-OCTAKIS(3-CARBOXYPHENOXY)PHTHALOCYA-NINATO-K4N] (PYRIDINE -KN)ZINC (II) PYRIDINE OCTASOLVATE

Fujishiro, R; Sonoyama, H; Ide, Y; Mori, S; Sugimori, T; Nagai, A; Yoshino, K; Nakamura, M; Ikeue, T

HETEROCYCLES 94 ( 1 ) 131 - 139 2017年

ISSN: 0385-5414

DOI
Metal-atom Ionization and Diffusion under Electric Field around Metal/insulator Interfaces; First-principles View

Nakayama, T; Asayama, Y; Nagasawa, R

SEMICONDUCTORS, DIELECTRICS, AND METALS FOR NANOELECTRONICS 15: IN MEMORY OF SAMARES KAR 80 ( 1 ) 285 - 293 2017年

ISBN: 978-1-62332-470-4

ISSN: 1938-5862

DOI
Microwave-assisted hydrolysis of biomass over activated carbon supported polyoxometalates

Tsubaki, S; Oono, K; Onda, A; Ueda, T; Mitani, T; Hiraoka, M

RSC ADVANCES 7 ( 20 ) 12346 - 12350 2017年

ISSN: 2046-2069

DOI
Molecular dynamics study of the aggregation rate for zwitterionic dodecyldimethylamine oxide and cationic dodecyltrimethylammonium chloride micelles

Fujimoto, K; Kubo, Y; Kawada, S; Yoshii, N; Okazaki, S

MOLECULAR SIMULATION 43 ( 13-16 ) 1331 - 1337 2017年

ISSN: 0892-7022

DOI
Multifunctional organic dyes: anion-sensing and light-harvesting properties of curcumin boron complexes

Tsuchikawa, M; Takao, A; Funaki, T; Sugihara, H; Ono, K

RSC ADVANCES 7 ( 58 ) 36612 - 36616 2017年

ISSN: 2046-2069

DOI
Multiscale Simulations for Lithium-Ion Batteries: SEI Film Growth and Capacity Fading

Shinagawa, C; Ushiyama, H; Yamashita, K

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 164 ( 13 ) A3018 - A3024 2017年

ISSN: 0013-4651

DOI
QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins

Hayashi, S; Uchida, Y; Hasegawa, T; Higashi, M; Kosugi, T; Kamiya, M

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 68 68 135 - 154 2017年

ISBN: 978-0-8243-1068-4

ISSN: 0066-426X

DOI
Quantitative study of mammalian cells by scanning transmission soft X-ray microscopy

Shinohara, K; Ohigashi, T; Toné, S; Kado, M; Ito, A

X-RAY MICROSCOPY CONFERENCE 2016 (XRM 2016) 849 2017年

ISBN: *****************

ISSN: 1742-6588

DOI
Rational design of doubly-bridged chromophores for singlet fission and triplet-triplet annihilation

Ito, S; Nagami, T; Nakano, M

RSC ADVANCES 7 ( 55 ) 34830 - 34845 2017年

DOI
Scintillation and Dosimeter Properties of LiAlSi2O6 and LiAlSi4O10 Crystals

Yanagida, T; Fujimoto, Y; Koshimizu, M; Kumamoto, N; Okada, G; Kawaguchi, N

SENSORS AND MATERIALS 29 ( 10 ) 1399 - 1406 2017年

ISSN: 0914-4935

DOI
Structural ordering of lipid bilayers induced by surfactant molecules with small hydrophilic head group

Andoh, Y; Mohamed, SNS; Kitou, S; Okazaki, S

MOLECULAR SIMULATION 43 ( 13-16 ) 1247 - 1255 2017年

ISSN: 0892-7022

DOI
Theoretical Analysis of Interactions between Potassium Ions and Organic Electrolyte Solvents: A Comparison with Lithium, Sodium, and Magnesium Ions

Okoshi, M; Yamada, Y; Komaba, S; Yamada, A; Nakai, H

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 164 ( 2 ) A54 - A60 2017年

ISSN: 0013-4651

DOI
Theoretical study on crystal polymorphism and electronic structure of lead(II) phthalocyanine using model dimers

Hamamoto, N; Sonoda, H; Sumimoto, M; Hori, K; Fujimoto, H

RSC ADVANCES 7 ( 14 ) 8646 - 8653 2017年

DOI
Theoretical study on keto-enol tautomerisation of glutarimide for exploration of the isomerisation reaction pathway of glutamic acid in proteins using density functional theory

Fukuyoshi, S; Nakayoshi, T; Takahashi, O; Oda, A

MOLECULAR PHYSICS 115 ( 5 ) 560 - 565 2017年

ISSN: 0026-8976

DOI
Toward Tangible Quantum Nature

Shikano, Y

STRUCTURE, FUNCTION AND DYNAMICS FROM NM TO GM 1871 2017年

ISBN: 978-0-7354-1551-5

ISSN: 0094-243X

DOI
Two major stable structures of amyloid-forming peptides: amorphous aggregates and amyloid fibrils

Nishikawa, N; Sakae, Y; Gouda, T; Tsujimura, Y; Okamoto, Y

MOLECULAR SIMULATION 43 ( 13-16 ) 1370 - 1376 2017年

ISSN: 0892-7022

DOI
Unusual H/D isotope effect in isomerization and keto-enol tautomerism reactions of pyruvic acid: nuclear quantum effect restricts some rotational isomerization reactions

Udagawa, T; Sugiura, K; Suzuki, K; Tachikawa, M

RSC ADVANCES 7 ( 15 ) 9328 - 9337 2017年

ISSN: 2046-2069

DOI
Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study

Yanai, K; Ishimura, K; Nakayama, A; Schmidt, MW; Gordon, MS; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 51 ) 10273 - 10280 2016年12月29日

ISSN: 1089-5639

DOI
A novel synthesis of halogenated oxa[9]helicenes and dibromo spiro-lactone derivative by the reaction of helical quinones with halogenating regents

Shahabuddin, M; Salim, M; Tomura, M; Kimura, T; Karikomi, M

TETRAHEDRON LETTERS 57 ( 52 ) 5902 - 5906 2016年12月28日

ISSN: 0040-4039

DOI
Adiabatic electron affinity of pentacene and perfluoropentacene molecules studied by anion photoelectron spectroscopy: Molecular insights into electronic properties

Masubuchi, T; Sugawara, Y; Nakajima, A

JOURNAL OF CHEMICAL PHYSICS 145 ( 24 ) 2016年12月28日

ISSN: 0021-9606

DOI
Synthesis of highly non-stoichiometric Cu2ZnSnS4 nanoparticles with tunable bandgaps

Hamanaka, Y; Oyaizu, W; Kawase, M; Kuzuya, T

JOURNAL OF NANOPARTICLE RESEARCH 19 ( 1 ) 2016年12月24日

ISSN: 1388-0764

DOI
9,10-Diaminoanthracenes Revisited: The Influence of N-Substituents on Their Electronic States

Uebe, M; Kato, T; Tanaka, K; Ito, A

CHEMISTRY-A EUROPEAN JOURNAL 22 ( 52 ) 18923 - 18931 2016年12月23日

ISSN: 0947-6539

DOI
Single-atom response of helium atoms to pulses from an EUV free-electron laser: Implications for the subsequent development of superfluorescence

Harries, JR; Ohae, C; Kuma, S; Nakajima, K; Togashi, T; Miyamoto, Y; Sasao, N; Iwayama, H; Nagasono … 全著者表示

PHYSICAL REVIEW A 94 ( 6 ) 2016年12月22日

ISSN: 2469-9926

DOI
Site-Specific Electron-Relaxation Caused by Si:2p Core-Level Photoionization: Comparison between F3SiCH2CH2Si(CH3)3 and CI3SiCH2CH2Si(CH3)3 Vapors by Means of Photoelectron Auger Electron Coincidence Spectroscopy

Nagaoka, S; Kakiuchi, T; Ohshita, J; Takahashi, O; Hikosaka, Y

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 50 ) 9907 - 9915 2016年12月22日

ISSN: 1089-5639

DOI
Electronic excitation and relaxation dynamics of the LUMO-derived level in rubrene thin films on graphite

Ueba, T; Yamada, T; Munakata, T

JOURNAL OF CHEMICAL PHYSICS 145 ( 21 ) 2016年12月21日

ISSN: 0021-9606

DOI
High-Confidence Sequencing of Phosphopeptides by Electron Transfer Dissociation Mass Spectrometry Using Dinuclear Zinc(II) Complex

Asakawa, D; Osaka, I

ANALYTICAL CHEMISTRY 88 ( 24 ) 12393 - 12402 2016年12月20日

ISSN: 0003-2700

DOI
Doping Effects on the Electronic Structure of an Anisotropic Kondo Semiconductor CeOs2Al10: An Optical Study with Re and Ir Substitution

Kimura, S; Takao, H; Kawabata, J; Yamada, Y; Takabatake, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 85 ( 12 ) 2016年12月15日

ISSN: 0031-9015

DOI
Near-Field Nonlinear CD Imaging of Single Gold Nanostructures

Nishiyama, Y; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 49 ) 28157 - 28162 2016年12月15日

ISSN: 1932-7447

DOI
Spectroscopic and Thermodynamic Characterization of the Metal-Binding Sites in the LH1-RC Complex from Thermophilic Photosynthetic Bacterium Thermochromatium tepidum

Kimura, Y; Yura, Y; Hayashi, Y; Li, Y; Onoda, M; Yu, LJ; Wang-Otomo, ZY; Ohno, T

JOURNAL OF PHYSICAL CHEMISTRY B 120 ( 49 ) 12466 - 12473 2016年12月15日

ISSN: 1520-6106

DOI
Anti-FIRs (PUF60) auto-antibodies are detected in the sera of early-stage colon cancer patients

Kobayashi, S; Hoshino, T; Hiwasa, T; Satoh, M; Rahmutulla, B; Tsuchida, S; Komukai, Y; Tanaka, T; M … 全著者表示

ONCOTARGET 7 ( 50 ) 82493 - 82503 2016年12月13日

DOI
Structural and fluctuational difference between two ends of Aβ amyloid fibril: MD simulations predict only one end has open conformations

Okumura, H; Itoh, SG

SCIENTIFIC REPORTS 6 2016年12月09日

ISSN: 2045-2322

DOI
Magnetic domains driving a Q-switched laser

Morimoto, R; Goto, T; Pritchard, J; Takagi, H; Nakamura, Y; Lim, PB; Uchida, H; Mina, M; Taira, T; … 全著者表示

SCIENTIFIC REPORTS 6 2016年12月08日

ISSN: 2045-2322

DOI
Theoretical Study on the Photoelectron Spectra of Ln(COT)2-: Lanthanide Dependence of the Metal-Ligand Interaction

Nakajo, E; Masuda, T; Yabushita, S

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 48 ) 9529 - 9544 2016年12月08日

ISSN: 1089-5639

DOI
Unveiling Dimensionality Dependence of Glassy Dynamics: 2D Infinite Fluctuation Eclipses Inherent Structural Relaxation

Shiba, H; Yamada, Y; Kawasaki, T; Kim, K

PHYSICAL REVIEW LETTERS 117 ( 24 ) 2016年12月07日

ISSN: 0031-9007

DOI
Synthesis of Hydroxysumanene and Substituent Effect of Hydroxy Group on Bowl Inversion Dynamics and Electronic Structure

Ngamsomprasert, N; Panda, G; Higashibayashi, S; Sakurai, H

JOURNAL OF ORGANIC CHEMISTRY 81 ( 23 ) 11978 - 11981 2016年12月02日

ISSN: 0022-3263

DOI
Plasmonic enhancement of third-order nonlinear optical susceptibilities in self-doped Cu2-xS nanoparticles

Hamanaka, Y; Hirose, T; Yamada, K; Kuzuya, T

OPTICAL MATERIALS EXPRESS 6 ( 12 ) 3838 - 3848 2016年12月01日

ISSN: 2159-3930

DOI
Live-cell single-molecule imaging of the cytokine receptor MPL for analysis of dynamic dimerization

Sakamoto, A; Tsukamoto, T; Furutani, Y; Sudo, Y; Shimada, K; Tomita, A; Kiyoi, H; Kato, T; Funatsu, … 全著者表示

Journal of Molecular Cell Biology 8 ( 6 ) 553 - 555 2016年12月

ISSN: 1674-2788

DOI
Molecular and Crystal Structures of Dicationic Tetrakis(1,3-benzodithiol-2-ylidene)cyclopentanone

Ueda, M; Tahara, A; Shirahata, T; Misaki, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 89 ( 12 ) 1500 - 1502 2016年12月

ISSN: 0009-2673

DOI
Photobleaching-Assisted Near-Field Absorption Spectroscopy: Its Application to Single Tubular J-Aggregates

Imura, K; Mizobata, H; Makita, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 89 ( 12 ) 1518 - 1522 2016年12月

ISSN: 0009-2673

DOI
Core-multishell nanocarriers: Transport and release of dexamethasone probed by soft X-ray spectromicroscopy

Yamamoto, K; Klossek, A; Flesch, R; Ohigashi, T; Fleige, E; Rancan, F; Frombach, J; Vogt, A; Blume- … 全著者表示

JOURNAL OF CONTROLLED RELEASE 242 64 - 70 2016年11月28日

ISSN: 0168-3659

DOI
Gold Nanoparticle-Quantum Dot Fluorescent Nanohybrid: Application for Localized Surface Plasmon Resonance-induced Molecular Beacon Ultrasensitive DNA Detection

Adegoke, O; Park, EY

NANOSCALE RESEARCH LETTERS 11 2016年11月25日

ISSN: 1931-7573

DOI
Theoretical study of the H/D isotope effect on phase transition of hydrogen-bonded organic conductor κ-H3(Cat-EDT-TTF)2

Yamamoto, K; Kanematsu, Y; Nagashima, U; Ueda, A; Mori, H; Tachikawa, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 43 ) 29673 - 29680 2016年11月21日

ISSN: 1463-9076

DOI
Bis- and Tris-fused Tetrathiafulvalenes Extended with Anthracene-9,10-diylidene

Ogi, D; Fujita, Y; Mori, S; Shirahata, T; Misaki, Y

ORGANIC LETTERS 18 ( 22 ) 5868 - 5871 2016年11月18日

ISSN: 1523-7060

DOI
Radical Cation of an Oligoarylamine Having a Nitroxide Radical Substituent: A Coexistent Molecular System of Localized and Delocalized Spins

Ito, A; Kurata, R; Noma, Y; Hirao, Y; Tanaka, K

JOURNAL OF ORGANIC CHEMISTRY 81 ( 22 ) 11416 - 11420 2016年11月18日

ISSN: 0022-3263

DOI
Molecular Mechanism Behind the Fast Folding/Unfolding Transitions of Villin Headpiece Subdomain: Hierarchy and Heterogeneity

Mori, T; Saito, S

JOURNAL OF PHYSICAL CHEMISTRY B 120 ( 45 ) 11683 - 11691 2016年11月17日

ISSN: 1520-6106

DOI
Similarities and Differences between RNA and DNA Double-Helical Structures in Circular Dichroism Spectroscopy: A SAC-CI Study

Miyahara, T; Nakatsuji, H; Sugiyama, H

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 45 ) 9008 - 9018 2016年11月17日

ISSN: 1089-5639

DOI
Enhanced catalytic activity of gold nanoparticle-carbon nanotube hybrids for influenza virus detection

Ahmed, SR; Kim, J; Suzuki, T; Lee, J; Park, EY

BIOSENSORS & BIOELECTRONICS 85 503 - 508 2016年11月15日

ISSN: 0956-5663

DOI
Massively Parallel Algorithm and Implementation of RI-MP2 Energy Calculation for Peta-Scale Many-Core Supercomputers

Katouda, M; Naruse, A; Hirano, Y; Nakajima, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 37 ( 30 ) 2623 - 2633 2016年11月15日

ISSN: 0192-8651

DOI
Human ER Oxidoreductin-1α (Ero1α) Undergoes Dual Regulation through Complementary Redox Interactions with Protein-Disulfide Isomerase

Kanemura, S; Okumura, M; Yutani, K; Ramming, T; Hikima, T; Appenzeller-Herzog, C; Akiyama, S; Inaba … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 291 ( 46 ) 23952 - 23964 2016年11月11日

DOI
Quantum mechanics/molecular mechanics simulation of the ligand vibrations of the water-oxidizing Mn4CaO5 cluster in photosystem II

Nakamura, S; Noguchi, T

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113 ( 45 ) 12727 - 12732 2016年11月08日

ISSN: 0027-8424

DOI
Rhodium-Organic Cuboctahedra as Porous Solids with Strong Binding Sites

Furukawa, S; Horike, N; Kondo, M; Hijikata, Y; Carné-Sánchez, A; Larpent, P; Louvain, N; Diring, S; … 全著者表示

INORGANIC CHEMISTRY 55 ( 21 ) 10843 - 10846 2016年11月07日

ISSN: 0020-1669

DOI
Geometrical Structures of Partially Oxidized Rhodium Cluster Cations, Rh6Om+ (m=4, 5, 6), Revealed by Infrared Multiple Photon Dissociation Spectroscopy

Koyama, K; Nagata, T; Kudoh, S; Miyajima, K; Huitema, DMM; Chernyy, V; Bakker, JM; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 43 ) 8599 - 8605 2016年11月03日

ISSN: 1089-5639

DOI
Comparative study on the interactions of TEMPO and iodine with organic dyes in dye-sensitized solar cells

Kusama, H; Sayama, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 330 95 - 101 2016年11月01日

ISSN: 1010-6030

DOI
Does organic/organic interface mimic band bending by deforming structure?

Jono, R; Watanabe, E; Fujii, M; Yamashita, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 330 181 - 185 2016年11月01日

ISSN: 1010-6030

DOI
Defect distribution and Schottky barrier at metal/Ge interfaces: Role of metal-induced gap states

Sasaki, S; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 55 ( 11 ) 2016年11月

ISSN: 0021-4922

DOI
Direct Mapping of Additional Modifications on Phosphorylated O-glycans of α-Dystroglycan by Mass Spectrometry Analysis in Conjunction with Knocking Out of Causative Genes for Dystroglycanopathy

Yagi, H; Kuo, CW; Obayashi, T; Ninagawa, S; Khoo, KH; Kato, K

MOLECULAR & CELLULAR PROTEOMICS 15 ( 11 ) 3424 - 3434 2016年11月

ISSN: 1535-9476

DOI
Electron emission relevant to inner-shell photoionization of condensed water studied by multi-electron coincidence spectroscopy

Hikosaka, Y; Mashiko, R; Konosu, Y; Soejima, K; Shigemasa, E

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 213 17 - 21 2016年11月

ISSN: 0368-2048

DOI
Interaction mode between catalytic and regulatory subunits in glucosidase II involved in ER glycoprotein quality control

Satoh, T; Toshimori, T; Noda, M; Uchiyama, S; Kato, K

PROTEIN SCIENCE 25 ( 11 ) 2095 - 2101 2016年11月

ISSN: 0961-8368

DOI
The Development of a Vesicular Self-assembled Amphiphilic Platinum NCN-Pincer Complex and Its Catalytic Application to Hydrosilylation of Alkenes in Water

Hamasaka, G; Uozumi, Y

CHEMISTRY LETTERS 45 ( 11 ) 1244 - 1246 2016年11月

ISSN: 0366-7022

DOI
Water Oxidation Catalysts Constructed by Biorelevant First-row Metal Complexes

Kondo, M; Masaoka, S

CHEMISTRY LETTERS 45 ( 11 ) 1220 - 1231 2016年11月

ISSN: 0366-7022

DOI
Nuclear quantum effect and H/D isotope effect on F + (H2O)n → FH + (H2O)n-1 OH (n=1-3) reactions

Udagawa, T; Taohikawa, M

JOURNAL OF CHEMICAL PHYSICS 145 ( 16 ) 2016年10月28日

ISSN: 0021-9606

DOI
Site-Specific Organic/Metal Interaction Revealed from Shockley-Type Interface State

Yamane, H; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 42 ) 24307 - 24313 2016年10月27日

ISSN: 1932-7447

DOI
Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge

Kawaguchi, G; Maesato, M; Komatsu, T; Imakubo, T; Kiswandh, A; Graf, D; Kitagawa, H

CHEMISTRY OF MATERIALS 28 ( 20 ) 7276 - 7286 2016年10月25日

ISSN: 0897-4756

DOI
Single-molecule Imaging Analysis of Binding, Processive Movement, and Dissociation of Cellobiohydrolase Trichoderma reesei Cel6A and Its Domains on Crystalline Cellulose

Nakamura, A; Tasaki, T; Ishiwata, D; Yamamoto, M; Okuni, Y; Visootsat, A; Maximilien, M; Noji, H; U … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 291 ( 43 ) 22404 - 22413 2016年10月21日

ISSN: 0021-9258

DOI
Synthesis, Structure, and Reactivity of a Cylinder-Shaped Cyclo[12]orthophenylene[6]ethynylene: Toward the Synthesis of Zigzag Carbon Nanobelts

Matsui, K; Fushimi, M; Segawa, Y; Itami, K

ORGANIC LETTERS 18 ( 20 ) 5352 - 5355 2016年10月21日

ISSN: 1523-7060

DOI
The divide-and-conquer second-order proton propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation of proton binding energies

Tsukamoto, Y; Ikabata, Y; Romero, J; Reyes, A; Nakai, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 39 ) 27422 - 27431 2016年10月21日

ISSN: 1463-9076

DOI
Circular Dichroism Microscopy Free from Commingling Linear Dichroism via Discretely Modulated Circular Polarization

Narushima, T; Okamoto, H

SCIENTIFIC REPORTS 6 2016年10月20日

ISSN: 2045-2322

DOI
Large Hyperpolarizabilities of the Second Harmonic Generation Induced by Nonuniform Optical Near Fields

Yamaguchi, M; Nobusada, K

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 41 ) 23748 - 23755 2016年10月20日

ISSN: 1932-7447

DOI
Structural characterization of the circadian clock protein complex composed of KaiB and KaiC by inverse contrast-matching small-angle neutron scattering

Sugiyama, M; Yagi, H; Ishii, K; Porcar, L; Martel, A; Oyama, K; Noda, M; Yunoki, Y; Murakami, R; In … 全著者表示

SCIENTIFIC REPORTS 6 2016年10月18日

ISSN: 2045-2322

DOI
Relativistic frozen core potential scheme with relaxation of core electrons

Nakajima, Y; Seino, J; Hayami, M; Nakai, H

CHEMICAL PHYSICS LETTERS 663 97 - 103 2016年10月16日

ISSN: 0009-2614

DOI
Influence of 1-butyl-3-methylimidazolium on the electron transfer kinetics associated with the [SVW11O40]3-/4- (VV/IV) and [SVW11O40]4-/5- (WVI/V) processes in dimethylformamide

Li, JZ; Bentley, CL; Bond, AM; Zhang, J; Ueda, T

JOURNAL OF ELECTROANALYTICAL CHEMISTRY 779 67 - 74 2016年10月15日

ISSN: 1572-6657

DOI
Structures of Vanadium Oxide Cluster Ions up to Nanometer Diameter Investigated by Ion Mobility Mass Spectrometry

Moriyama, R; Wu, JWJ; Ohshimo, K; Misaizu, F

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 89 ( 10 ) 1225 - 1229 2016年10月15日

ISSN: 0009-2673

DOI
Thermal effect on the morphology and performance of organic photovoltaics

Kawashima, E; Fujii, M; Yamashita, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 38 ) 26456 - 26465 2016年10月14日

ISSN: 1463-9076

DOI
Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism

Hamada, Y; Kanematsu, Y; Tachikawa, M

BIOCHEMISTRY 55 ( 40 ) 5764 - 5771 2016年10月11日

ISSN: 0006-2960

DOI
Monomeric Three-Coordinate N-Heterocyclic Carbene Nickel(I) Complexes: Synthesis, Structures, and Catalytic Applications in Cross-Coupling Reactions

Matsubara, K; Fukahori, Y; Inatomi, T; Tazaki, S; Yamada, Y; Koga, Y; Kanegawa, S; Nakamura, T

ORGANOMETALLICS 35 ( 19 ) 3281 - 3287 2016年10月10日

ISSN: 0276-7333

DOI
Multiple-decker and ring sandwich formation of manganese-benzene organometallic cluster anions: MnnBzn- (n=1-5 and 18)

Masubuchi, T; Iwasa, T; Nakajima, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 37 ) 26049 - 26056 2016年10月07日

ISSN: 1463-9076

DOI
Gold Atoms Supported on Gas-Phase Cerium Oxide Cluster Ions: Stable Stoichiometry and Reactivity with CO

Nagata, T; Miyajima, K; Mafuné, F

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 39 ) 7624 - 7633 2016年10月06日

ISSN: 1089-5639

DOI
Multistep Intersystem Crossing Pathways in Cinnamate-Based UV-B Sunscreens

Yamazaki, K; Miyazaki, Y; Harabuchi, Y; Taketsugu, T; Maeda, S; Inokuchi, Y; Kinoshita, S; Sumida, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 7 ( 19 ) 4001 - 4007 2016年10月06日

ISSN: 1948-7185

DOI
An Isolable Bismabenzene: Synthesis, Structure, and Reactivity

Ishii, T; Suzuki, K; Nakamura, T; Yamashita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 ( 39 ) 12787 - 12790 2016年10月05日

ISSN: 0002-7863

DOI
Electronic Transitions in Conformationally Controlled Peralkylated Hexasilanes

Kanazawa, Y; Tsuji, H; Ehara, M; Fukuda, R; Casher, DL; Tamao, K; Nakatsuji, H; Michl, J

CHEMPHYSCHEM 17 ( 19 ) 3010 - 3022 2016年10月05日

ISSN: 1439-4235

DOI
Water Molecules Inside Protein Structure Affect Binding of Monosaccharides with HIV-1 Antibody 2G12

Ueno-Noto, K; Takano, K

JOURNAL OF COMPUTATIONAL CHEMISTRY 37 ( 26 ) 2341 - 2348 2016年10月05日

ISSN: 0192-8651

DOI
A Boryl-Substituted Diphosphene: Synthesis, Structure, and Reaction with n-Butyllithium To Form a Stabilized Adduct by p-p Interaction

Asami, S; Okamoto, M; Suzuki, K; Yamashita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 55 ( 41 ) 12827 - 12831 2016年10月04日

ISSN: 1433-7851

DOI
Abnormal asymmetries in subcortical brain volume in schizophrenia

Okada, N; Fukunaga, M; Yamashita, F; Koshiyama, D; Yamamori, H; Ohi, K; Yasuda, Y; Fujimoto, M; Wat … 全著者表示

MOLECULAR PSYCHIATRY 21 ( 10 ) 1460 - 1466 2016年10月

ISSN: 1359-4184

DOI
Cationic π-Stacking Columns of Coronene Molecules with Fully Charged and Charge-Disproportionated States

Yoshida, Y; Isomura, K; Maesato, M; Koretsune, T; Nakano, Y; Yamochi, H; Kishida, H; Saito, G

CRYSTAL GROWTH & DESIGN 16 ( 10 ) 5994 - 6000 2016年10月

ISSN: 1528-7483

DOI
Electrocatalytic Water Oxidation by a Tetranuclear Copper Complex

Praneeth, VKK; Kondo, M; Woi, PM; Okamura, M; Masaoka, S

CHEMPLUSCHEM 81 ( 10 ) 1123 - 1128 2016年10月

ISSN: 2192-6506

DOI
Facile Synthesis of Thiacalix[n]thiophene Derivatives

Hasegawa, M; Inoue, R; Mazaki, Y

SYNLETT 27 ( 17 ) 2407 - 2415 2016年10月

ISSN: 0936-5214

DOI
Protocol-dependent shear modulus of amorphous solids

Nakayama, D; Yoshino, H; Zamponi, F

JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT 2016年10月

ISSN: 1742-5468

DOI
Roles of the respective loops at complementarity determining region on the antigen-antibody recognition

Osajima, T; Hoshino, T

COMPUTATIONAL BIOLOGY AND CHEMISTRY 64 368 - 383 2016年10月

ISSN: 1476-9271

DOI
Stability and electronic structures of isoelectronic impurity complexes in Si: First-principles study

Iizuka, S; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 55 ( 10 ) 2016年10月

ISSN: 0021-4922

DOI
Theoretical Study on Highly Active Bifunctional Metalloporphyrin Catalysts for the Coupling Reaction of Epoxides with Carbon Dioxide

Hasegawa, J; Miyazaki, R; Maeda, C; Ema, T

CHEMICAL RECORD 16 ( 5 ) 2260 - 2267 2016年10月

ISSN: 1527-8999

DOI
Informatics-Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set Limit

Seino, J; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 37 ( 25 ) 2304 - 2315 2016年09月30日

ISSN: 0192-8651

DOI
Experimental and computational studies of the roles of MgO and Zn in talc for the selective formation of 1,3-butadiene in the conversion of ethanol

Hayashi, Y; Akiyama, S; Miyaji, A; Sekiguchi, Y; Sakamoto, Y; Shiga, A; Koyama, TR; Motokura, K; Ba … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 36 ) 25191 - 25209 2016年09月28日

ISSN: 1463-9076

DOI
Simultaneous manipulation and observation of multiple ro-vibrational eigenstates in solid para-hydrogen

Katsuki, H; Ohmori, K

JOURNAL OF CHEMICAL PHYSICS 145 ( 12 ) 2016年09月28日

ISSN: 0021-9606

DOI
Bowl Inversion and Electronic Switching of Buckybowls on Gold

Fujii, S; Ziatdinov, M; Higashibayashi, S; Sakurai, H; Kiguchi, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 ( 37 ) 12142 - 12149 2016年09月21日

ISSN: 0002-7863

DOI
Development of simple random mutagenesis protocol for the protein expression system in Pichia pastoris

Tachioka, M; Sugimoto, N; Nakamura, A; Sunagawa, N; Ishida, T; Uchiyama, T; Igarashi, K; Samejima, M

BIOTECHNOLOGY FOR BIOFUELS 9 2016年09月19日

ISSN: 1754-6834

DOI
Imaging of Oxygen Diffusion in Individual Platinum/Ce2Zr2Ox Catalyst Particles During Oxygen Storage and Release

Matsui, H; Ishiguro, N; Enomoto, K; Sekizawa, O; Uruga, T; Tada, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 55 ( 39 ) 12022 - 12025 2016年09月19日

ISSN: 1433-7851

DOI
Regioselectivity of Sc2C2@C3v(8)-C82: Role of the Sumanene-Type Hexagon in Diels-Alder Reaction

Zhao, P; Zhao, X; Ehara, M

JOURNAL OF ORGANIC CHEMISTRY 81 ( 18 ) 8169 - 8174 2016年09月16日

ISSN: 0022-3263

DOI
Binding mode prediction of aplysiatoxin, a potent agonist of protein kinase C, through molecular simulation and structure-activity study on simplified analogs of the receptor-recognition domain

Ashida, Y; Yanagita, RC; Takahashi, C; Kawanami, Y; Irie, K

BIOORGANIC & MEDICINAL CHEMISTRY 24 ( 18 ) 4218 - 4227 2016年09月15日

ISSN: 0968-0896

DOI
Metal-Insulator Transition of the New One-Dimensional Organic Conductors with Complete Uniform Stacks: (DMEDO-TTF)2X (X = ClO4 and BF4)

Kumeta, S; Kawamoto, T; Shirahata, T; Misaki, Y; Mori, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 85 ( 9 ) 2016年09月15日

ISSN: 0031-9015

DOI
Multiple Resonances Induced by Plasmonic Coupling between Gold Nanoparticle Trimers and Hexagonal Assembly of Gold-Coated Polystyrene Microspheres

Uchida, T; Yoshikawa, T; Tamura, M; Iida, T; Imura, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 7 ( 18 ) 3652 - 3658 2016年09月15日

ISSN: 1948-7185

DOI
Quantum Chemistry beyond Born-Oppenheimer Approximation on a Quantum Computer: A Simulated Phase Estimation Study

Veis, L; Visnák, J; Nishizawa, H; Nakai, H; Pittner, J

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 116 ( 18 ) 1328 - 1336 2016年09月15日

ISSN: 0020-7608

DOI
Theoretical Study on the Size Dependence of Ground-State Proton Transfer in 1-Naphthol-Ammonia Clusters

Shimizu, T; Miyazaki, M; Fujii, M

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 36 ) 7167 - 7174 2016年09月15日

ISSN: 1089-5639

DOI
Unified Electrostatic Understanding on the Solvation-Induced Changes in the CN Stretching Frequency and the NMR Chemical Shifts of a Nitrile

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 36 ) 7137 - 7144 2016年09月15日

ISSN: 1089-5639

DOI
Generation of self-clusters of galectin-1 in the farnesyl-bound form

Yamaguchi, K; Niwa, Y; Nakabayashi, T; Hiramatsu, H

SCIENTIFIC REPORTS 6 2016年09月14日

ISSN: 2045-2322

DOI
A Potassium Diboryllithate: Synthesis, Bonding Properties, and the Deprotonation of Benzene

Ohsato, T; Okuno, Y; Ishida, S; Iwamoto, T; Lee, KH; Lin, ZY; Yamashita, M; Nozaki, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 55 ( 38 ) 11426 - 11430 2016年09月12日

ISSN: 1433-7851

DOI
Kinetics and Mechanism of Redox Processes of Pt/C and Pt3Co/C Cathode Electrocatalysts in a Polymer Electrolyte Fuel Cell during an Accelerated Durability Test

Ishiguro, N; Kityakarn, S; Sekizawa, O; Uruga, T; Matsui, H; Taguchi, M; Nagasawa, K; Yokoyama, T; … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 35 ) 19642 - 19651 2016年09月08日

ISSN: 1932-7447

DOI
Effective approach for accurately calculating individual energy of polar heterojunction interfaces

Akiyama, T; Nakane, H; Nakamura, K; Ito, T

PHYSICAL REVIEW B 94 ( 11 ) 2016年09月06日

ISSN: 2469-9950

DOI
Improve Hole Collection by Interfacial Chemical Redox Reaction at a Mesoscopic NiO/CH3NH3PbI3 Heterojunction for Efficient Photovoltaic Cells

Lin, MW; Wang, KC; Wang, JH; Li, MH; Lai, YL; Ohigashi, T; Kosugi, N; Chen, P; Wei, DH; Guo, TF; Hs … 全著者表示

ADVANCED MATERIALS INTERFACES 3 ( 17 ) 2016年09月06日

ISSN: 2196-7350

DOI
Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile

Kanematsu, Y; Tachikawa, M; Takano, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 37 ( 23 ) 2140 - 2145 2016年09月05日

ISSN: 0192-8651

DOI
Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties

Kato, S; Kuwako, S; Takahashi, N; Kijima, T; Nakamura, Y

JOURNAL OF ORGANIC CHEMISTRY 81 ( 17 ) 7700 - 7710 2016年09月02日

ISSN: 0022-3263

DOI
Studies on the early oxidation process of dopamine by electrochemical measurements and quantum chemical calculations

Ismail, I; Okajima, T; Kawauchi, S; Ohsaka, T

ELECTROCHIMICA ACTA 211 777 - 786 2016年09月01日

ISSN: 0013-4686

DOI
The ion dependence of carbohydrate binding of CBM36: an MD and 3D-RISM study

Tanimoto, S; Higashi, M; Yoshida, N; Nakano, H

JOURNAL OF PHYSICS-CONDENSED MATTER 28 ( 34 ) 2016年09月01日

ISSN: 0953-8984

DOI
Electronic excitation and relaxation processes of oxygen vacancies in YSZ and their involvement in photoluminescence

Morimoto, T; Kuroda, Y; Ohki, Y

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING 122 ( 9 ) 2016年09月

ISSN: 0947-8396

DOI
Helically Twisted Tetracene: Synthesis, Crystal Structure, and Photophysical Properties of Hexabenzo[a,c,fg,j,l,op]tetracene

Yano, Y; Ito, H; Segawa, Y; Itami, K

SYNLETT 27 ( 14 ) 2081 - 2084 2016年09月

ISSN: 0936-5214

DOI
Hyperfine Coupling Constants from Internally Contracted Multireference Perturbation Theory

Shiozaki, T; Yanai, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12 ( 9 ) 4347 - 4351 2016年09月

ISSN: 1549-9618

DOI
One-pot synthesis and theoretical calculation for trifluoromethylated pyrrolizidines by 1,3-dipolar cycloaddition with azomethine ylides and β-trifluoromethyl acrylamides

Toma, Y; Kunigami, M; Watanabe, KJ; Higashi, M; Arimitsu, S

JOURNAL OF FLUORINE CHEMISTRY 189 22 - 32 2016年09月

ISSN: 0022-1139

DOI
The d-f luminescence of Eu2+, Ce3+ and Yb2+ ions in Cs2MP2O7 (M = Ca2+, Sr2+)

Senden, T; Meijerink, A

JOURNAL OF LUMINESCENCE 177 254 - 260 2016年09月

ISSN: 0022-2313

DOI
Surface Kondo effect and non-trivial metallic state of the Kondo insulator YbB12

Hagiwara, K; Ohtsubo, Y; Matsunami, M; Ideta, S; Tanaka, K; Miyazaki, H; Rault, JE; Le Fevre, P; Be … 全著者表示

NATURE COMMUNICATIONS 7 2016年08月31日

ISSN: 2041-1723

DOI
Tunable Heterogeneous Catalysis: N-Heterocyclic Carbenes as Ligands for Supported Heterogeneous Ru/K-Al2O3 Catalysts To Tune Reactivity and Selectivity

Ernst, JB; Muratsugu, S; Wang, F; Tada, M; Glorius, F

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 ( 34 ) 10718 - 10721 2016年08月31日

ISSN: 0002-7863

DOI
Modeling 15N NMR chemical shift changes in protein backbone with pressure

La Penna, G; Mori, Y; Kitahara, R; Akasaka, K; Okamoto, Y

JOURNAL OF CHEMICAL PHYSICS 145 ( 8 ) 2016年08月28日

ISSN: 0021-9606

DOI
Redox-Dependent Transformation of a Hydrazinobuckybowl between Curved and Planar Geometries

Higashibayashi, S; Pandit, P; Haruki, R; Adachi, S; Kumai, R

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 55 ( 36 ) 10830 - 10834 2016年08月26日

ISSN: 1433-7851

DOI
Dehydration of Methanediol in Aqueous Solution: An ONIOM(QM/MM) Study

Inaba, S; Sameera, WMC

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 33 ) 6670 - 6676 2016年08月25日

ISSN: 1089-5639

DOI
DFT Study on Enzyme Turnover Including Proton and Electron Transfers of Copper-Containing Nitrite Reductase

Lintuluoto, M; Lintuluoto, JM

BIOCHEMISTRY 55 ( 33 ) 4697 - 4707 2016年08月23日

ISSN: 0006-2960

DOI
Assembly of Multi-Phthalocyanines on a Porphyrin Template by Fourfold Rotaxane Formation

Yamada, Y; Kato, T; Tanaka, K

CHEMISTRY-A EUROPEAN JOURNAL 22 ( 35 ) 12371 - 12380 2016年08月22日

ISSN: 0947-6539

DOI
Phonon-assisted indirect transitions in angle-resolved photoemission spectra of graphite and graphene

Ayria, P; Tanaka, S; Nugraha, ART; Dresselhaus, MS; Saito, R

PHYSICAL REVIEW B 94 ( 7 ) 2016年08月22日

ISSN: 2469-9950

DOI
Corannulene-Helicene Hybrids: Chiral π-Systems Comprising Both Bowl and Helical Motifs

Fujikawa, T; Preda, DV; Segawa, Y; Itami, K; Scott, LT

ORGANIC LETTERS 18 ( 16 ) 3992 - 3995 2016年08月19日

ISSN: 1523-7060

DOI
Digitalized K+ Occupancy in the Nanocavity Holds and Releases Queues of K+ in a Channel

Sumikama, T; Oiki, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 ( 32 ) 10284 - 10292 2016年08月17日

ISSN: 0002-7863

DOI
Iron-Catalyzed Ortho C-H Methylation of Aromatics Bearing a Simple Carbonyl Group with Methylaluminum and Tridentate Phosphine Ligand

Shang, R; Ilies, L; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 ( 32 ) 10132 - 10135 2016年08月17日

ISSN: 0002-7863

DOI
Multistep atomic reaction enhanced by an atomic force microscope probe on Si(111) and Ge(111) surfaces

Enkhtaivan, B; Oshiyama, A

PHYSICAL REVIEW B 94 ( 8 ) 2016年08月17日

ISSN: 2469-9950

DOI
Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur

Meng, LK; Fujikawa, T; Kuwayama, M; Segawa, Y; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 ( 32 ) 10351 - 10355 2016年08月17日

ISSN: 0002-7863

DOI
Impacts of Conformational Geometries in Fluorinated Alkanes

Brandenburg, T; Golnak, R; Nagasaka, M; Atak, K; Lalithambika, SSN; Kosugi, N; Aziz, EF

SCIENTIFIC REPORTS 6 2016年08月16日

ISSN: 2045-2322

DOI
Optical Evidence of Itinerant- Localized Crossover of 4f Electrons in Cerium Compounds

Kimura, S; Kwon, YS; Matsumoto, Y; Aoki, H; Sakai, O

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 85 ( 8 ) 2016年08月15日

ISSN: 0031-9015

DOI
Shubnikov-de Haas Effect and Angular-Dependent Magnetoresistance in Layered Organic Conductor β"-(ET)(TCNQ)

Yasuzuka, S; Uji, S; Konoike, T; Terashima, T; Graf, D; Choi, ES; Brooks, JS; Yamamoto, HM; Kato, R

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 85 ( 8 ) 2016年08月15日

ISSN: 0031-9015

DOI
Spin-Blocking Effect in CO and H2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point

Watanabe, K; Nakatani, N; Nakayama, A; Higashi, M; Hasegawa, J

INORGANIC CHEMISTRY 55 ( 16 ) 8082 - 8090 2016年08月15日

ISSN: 0020-1669

DOI
A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

Oba, Y; Kawatsu, T; Tachikawa, M

JOURNAL OF CHEMICAL PHYSICS 145 ( 6 ) 2016年08月14日

ISSN: 0021-9606

DOI
The absence of a gap state and enhancement of the Mars-van Krevelen reaction on oxygen defective Cu/CeO2 surfaces

Koizumi, K; Nobusada, K; Boero, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 30 ) 20708 - 20712 2016年08月14日

ISSN: 1463-9076

DOI
Ground-state cooling of a dispersively coupled optomechanical system in the unresolved sideband regime via a dissipatively coupled oscillator

Zhang, YX; Wu, S; Chen, ZB; Shikano, Y

PHYSICAL REVIEW A 94 ( 2 ) 2016年08月11日

ISSN: 2469-9926

DOI
Structure, Interaction, and Dynamics of Au/Pd Bimetallic Nanoalloys Dispersed in Aqueous Ethylpyrrolidone, a Monomeric Moiety of Polyvinylpyrrolidone

Gupta, A; Boekfa, B; Sakurai, H; Ehara, M; Priyakumar, UD

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 31 ) 17454 - 17464 2016年08月11日

ISSN: 1932-7447

DOI
Magneto-optical Q-switching using magnetic garnet film with micromagnetic domains

Goto, T; Morimoto, R; Pritchard, JW; Mina, M; Takagi, H; Nakamura, Y; Lim, PB; Taira, T; Inoue, M

OPTICS EXPRESS 24 ( 16 ) 17635 - 17643 2016年08月08日

ISSN: 1094-4087

DOI
Ring Contraction of a Pinacolatoboryl Group To Form a 1,2-Oxaboretane Ring: Reaction of Unsymmetrical Diborane(4) with 2,6-Dimethylphenyl Isocyanide

Katsuma, Y; Asakawa, H; Lee, KH; Lin, ZY; Yamashita, M

ORGANOMETALLICS 35 ( 15 ) 2563 - 2566 2016年08月08日

ISSN: 0276-7333

DOI
Electronic origin of the dependence of hydrogen bond strengths on nearest-neighbor and next-nearest-neighbor hydrogen bonds in polyhedral water clusters (H2O)n, n=8, 20 and 24

Iwata, S; Akase, D; Aida, M; Xantheas, SS

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 29 ) 19746 - 19756 2016年08月07日

ISSN: 1463-9076

DOI
Cooperative Self-Assembly of Carbazole Derivatives Driven by Multiple Dipole-Dipole Interactions

Ikeda, T; Iijima, T; Sekiya, R; Takahashi, O; Haino, T

JOURNAL OF ORGANIC CHEMISTRY 81 ( 15 ) 6832 - 6837 2016年08月05日

ISSN: 0022-3263

DOI
Effective Fragment Potential Version 2-Molecular Dynamics (EFP2-MD) Simulation for Investigating Solution Structures of Ionic Liquids

Kuroki, N; Mori, H

CHEMISTRY LETTERS 45 ( 8 ) 1009 - 1011 2016年08月05日

ISSN: 0366-7022

DOI
Nonadiabatic Pathways of Furan and Dibenzofuran: What Makes Dibenzofuran Fluorescent?

Harabuchi, Y; Taketsugu, T; Maeda, S

CHEMISTRY LETTERS 45 ( 8 ) 940 - 942 2016年08月05日

ISSN: 0366-7022

DOI
On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics

Nagai, T; Pantelopulos, GA; Takahashi, T; Straub, JE

JOURNAL OF COMPUTATIONAL CHEMISTRY 37 ( 21 ) 2017 - 2028 2016年08月05日

ISSN: 0192-8651

DOI
Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation

Nishizawa, H; Nishimura, Y; Kobayashi, M; Irle, S; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 37 ( 21 ) 1983 - 1992 2016年08月05日

ISSN: 0192-8651

DOI
Correlation between Soft X-ray Absorption and Emission Spectra of the Nitrogen Atoms within Imidazolium-Based Ionic Liquids

Horikawa, Y; Tokushima, T; Takahashi, O; Hoke, H; Takamuku, T

JOURNAL OF PHYSICAL CHEMISTRY B 120 ( 30 ) 7480 - 7487 2016年08月04日

ISSN: 1520-6106

DOI
Static and dynamic interaction between π and d electrons in organic superconductor β"-(BEDT-TTF)4[(H3O)Fe(C2O4)3] • C6H5Br studied by 13C NMR spectroscopy

Ihara, Y; Futami, Y; Kawamoto, A; Matsui, K; Goto, T; Sasaki, T; Benmansour, S; Gómez-García, CJ

PHYSICAL REVIEW B 94 ( 6 ) 2016年08月04日

ISSN: 2469-9950

DOI
Functional Conversion of CPD and (6-4) Photolyases by Mutation

Yamada, D; Dokainish, HM; Iwata, T; Yamamoto, J; Ishikawa, T; Todo, T; Iwai, S; Getzoff, ED; Kitao, … 全著者表示

BIOCHEMISTRY 55 ( 30 ) 4173 - 4183 2016年08月02日

ISSN: 0006-2960

DOI
Accuracy of temperature-derivative of radial distribution function calculated under approximations in Ornstein-Zernike theory for one-component Lennard-Jones fluid

Miyata, T; Miyazaki, S

CHEMICAL PHYSICS LETTERS 658 224 - 229 2016年08月01日

ISSN: 0009-2614

DOI
Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2]

Ogura, S; Idobata, Y; Zhou, B; Kobayashi, A; Takagi, R; Miyagawa, K; Kanoda, K; Kasai, H; Nishibori … 全著者表示

INORGANIC CHEMISTRY 55 ( 15 ) 7709 - 7716 2016年08月01日

ISSN: 0020-1669

DOI
Can low-barrier hydrogen bond exist in systems with second row elements? An ab initio path integral molecular dynamics study for deprotonated hydrogen sulfide dimer

Ogata, Y; Kawatsu, T; Tachikawa, M

THEORETICAL CHEMISTRY ACCOUNTS 135 ( 8 ) 2016年08月01日

ISSN: 1432-881X

DOI
Precise synthesis, functionalization and application of thiolate-protected gold clusters

Kurashige, W; Niihori, Y; Sharma, S; Negishi, Y

COORDINATION CHEMISTRY REVIEWS 320 238 - 250 2016年08月01日

ISSN: 0010-8545

DOI
Computational Assignment of the Histidine Protonation State in (6-4) Photolyase Enzyme and Its Effect on the Protonation Step

Dokainish, HM; Kitao, A

ACS CATALYSIS 6 ( 8 ) 5500 - 5507 2016年08月

ISSN: 2155-5435

DOI
Crystal growth and luminescence properties of Yb2Si2O7 infra-red emission scintillator

Horiai, T; Kurosawa, S; Murakami, R; Pejchal, J; Yamaji, A; Shoji, Y; Chani, VI; Ohashi, Y; Kamada, … 全著者表示

OPTICAL MATERIALS 58 14 - 17 2016年08月

ISSN: 0925-3467

DOI
Fundamental processes of exciton scattering at organic solar-cell interfaces: One-dimensional model calculation

Masugata, Y; Iizuka, H; Sato, K; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 55 ( 8 ) 2016年08月

ISSN: 0021-4922

DOI
Luminescence properties of Gd2Si2O7:Ce and Gd2Si2O7:La, Ce under vacuum ultraviolet irradiation

Koshimizu, M; Yanagida, T; Fujimoto, Y; Asai, K

JOURNAL OF RARE EARTHS 34 ( 8 ) 782 - 785 2016年08月

ISSN: 1002-0721

DOI
Optical and scintillation properties of Nd-doped SrAl2O4 crystals

Nakauchi, D; Okada, G; Koshimizu, M; Yanagida, T

JOURNAL OF RARE EARTHS 34 ( 8 ) 757 - 762 2016年08月

ISSN: 1002-0721

DOI
Quantitative Evaluation of Site Energies and Their Fluctuations of Pigments in the Fenna-Matthews-Olson Complex with an Efficient Method for Generating a Potential Energy Surface

Higashi, M; Saito, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12 ( 8 ) 4128 - 4137 2016年08月

ISSN: 1549-9618

DOI
Quantitative analysis of protein-ligand interactions by NMR

Furukawa, A; Konuma, T; Yanaka, S; Sugase, K

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 96 47 - 57 2016年08月

ISSN: 0079-6565

DOI
Theoretical Study of Hydrogenation Catalysis of Phosphorus Compound and Prediction of Catalyst with High Activity and Wide Application Scope

Zeng, GX; Maeda, S; Taketsugu, T; Sakaki, S

ACS CATALYSIS 6 ( 8 ) 4859 - 4870 2016年08月

ISSN: 2155-5435

DOI
A New Indicator for Single Metal Dispersion on a TiO2(110) Surface Premodified with a Mercapto Compound

Takakusagi, S; Kunimoto, A; Sirisit, N; Uehara, H; Ohba, T; Uemuara, Y; Wada, T; Ariga, H; Chun, WJ … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 29 ) 15785 - 15791 2016年07月28日

ISSN: 1932-7447

DOI
Long Range Functionalization of h-BN Monolayer by Carbon Doping

Gao, M; Adachi, M; Lyalin, A; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 29 ) 15993 - 16001 2016年07月28日

ISSN: 1932-7447

DOI
Slater to Mott Crossover in the Metal to Insulator Transition of Nd2Ir2O7

Nakayama, M; Kondo, T; Tian, Z; Ishikawa, JJ; Halim, M; Bareille, C; Malaeb, W; Kuroda, K; Tomita, … 全著者表示

PHYSICAL REVIEW LETTERS 117 ( 5 ) 2016年07月27日

ISSN: 0031-9007

DOI
A DFT and multi-configurational perturbation theory study on O2 binding to a model heme compound via the spin-change barrier

Kitagawa, Y; Chen, Y; Nakatani, N; Nakayama, A; Hasegawa, J

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 27 ) 18137 - 18144 2016年07月21日

ISSN: 1463-9076

DOI
Stability and dissociation dynamics of N2++ ions following core ionization studied by an Auger-electron-photoion coincidence method

Iwayama, H; Kaneyasu, T; Hikosaka, Y; Shigemasa, E

JOURNAL OF CHEMICAL PHYSICS 145 ( 3 ) 2016年07月21日

ISSN: 0021-9606

DOI
Integration of Paramagnetic Diruthenium Complexes into an Extended Chain by Heterometallic Metal-Metal Bonds with Diplatinum Complexes

Uemura, K; Uesugi, N; Matsuyama, A; Ebihara, M; Yoshikawa, H; Awaga, K

INORGANIC CHEMISTRY 55 ( 14 ) 7003 - 7011 2016年07月18日

ISSN: 0020-1669

DOI
Assessment of self-consistent field convergence in spin-dependent relativistic calculations

Nakano, M; Seino, J; Nakai, H

CHEMICAL PHYSICS LETTERS 657 65 - 71 2016年07月16日

ISSN: 0009-2614

DOI
Highly-oriented molecular arrangements and enhanced magnetic interactions in thin films of CoTTDPz using PTCDA templates

Eguchi, K; Nanjo, C; Awaga, K; Tseng, HH; Robaschik, P; Heutz, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 26 ) 17360 - 17365 2016年07月14日

ISSN: 1463-9076

DOI
Molecular Dynamics Approach for Predicting Helical Twisting Powers of Metal Complex Dopants in Nematic Solvents

Watanabe, G; Yoshida, J

JOURNAL OF PHYSICAL CHEMISTRY B 120 ( 27 ) 6858 - 6864 2016年07月14日

ISSN: 1520-6106

DOI
Oligomer Formation of Amyloid-β(29-42) from Its Monomers Using the Hamiltonian Replica-Permutation Molecular Dynamics Simulation

Itoh, SG; Okumura, H

JOURNAL OF PHYSICAL CHEMISTRY B 120 ( 27 ) 6555 - 6561 2016年07月14日

ISSN: 1520-6106

DOI
X-ray and Electron Spectroscopy of Water

Fransson, T; Harada, Y; Kosugi, N; Besley, NA; Winter, B; Rehr, JJ; Pettersson, LGM; Nilsson, A

CHEMICAL REVIEWS 116 ( 13 ) 7551 - 7569 2016年07月13日

ISSN: 0009-2665

DOI
Spectrally resolved detection in transient-reflectivity measurements of coherent optical phonons in diamond

Nakamura, KG; Ohya, K; Takahashi, H; Tsuruta, T; Sasaki, H; Uozumi, S; Norimatsu, K; Kitajima, M; S … 全著者表示

PHYSICAL REVIEW B 94 ( 2 ) 2016年07月11日

ISSN: 2469-9950

DOI
Synthesis, Structure, Optical, and Electrochemical Properties of Triple- and Quadruple-Decker Co-facial Tetrathiafulvalene Arrays

Hasegawa, M; Nakamura, K; Tokunaga, S; Baba, Y; Shiba, R; Shirahata, T; Mazaki, Y; Misaki, Y

CHEMISTRY-A EUROPEAN JOURNAL 22 ( 29 ) 10090 - 10101 2016年07月11日

ISSN: 0947-6539

DOI
Improvements in the Ligand-Exchange Reactivity of Phenylethanethiolate-Protected Au25 Nanocluster by Ag or Cu Incorporation

Niihori, Y; Eguro, M; Kato, A; Sharma, S; Kumar, B; Kurashige, W; Nobusada, K; Negishi, Y

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 26 ) 14301 - 14309 2016年07月07日

ISSN: 1932-7447

DOI
Size-Specific, Dissociative Activation of Carbon Dioxide by Cobalt Cluster Anions

Yanagimachi, A; Koyasu, K; Valdivielso, DY; Gewinner, S; Schöllkopf, W; Fielicke, A; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 26 ) 14209 - 14215 2016年07月07日

ISSN: 1932-7447

DOI
Large difference between the magnetic properties of Ba and Ti co-doped BiFeO3 bulk materials and their corresponding nanoparticles prepared by ultrasonication

Ahmmad, B; Kanomata, K; Koike, K; Kubota, S; Kato, H; Hirose, F; Billah, A; Jalil, MA; Basith, MA

JOURNAL OF PHYSICS D-APPLIED PHYSICS 49 ( 26 ) 2016年07月06日

ISSN: 0022-3727

DOI
Participation of Electron Transfer Process in Rate-Limiting Step of Aromatic Hydroxylation Reactions by Compound I Models of Heme Enzymes

Asaka, M; Fujii, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 ( 26 ) 8048 - 8051 2016年07月06日

ISSN: 0002-7863

DOI
Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules

Ishikawa, A; Kamata, M; Nakai, H

CHEMICAL PHYSICS LETTERS 655 103 - 109 2016年07月01日

ISSN: 0009-2614

DOI
Difference of Electron Capture and Transfer Dissociation Mass Spectrometry on Ni2+-, Cu2+-, and Zn2+-Polyhistidine Complexes in the Absence of Remote Protons

Asakawa, D; De Pauw, E

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 27 ( 7 ) 1165 - 1175 2016年07月

ISSN: 1044-0305

DOI
Multiple-component covalent organic frameworks

Huang, N; Zhai, LP; Coupry, DE; Addicoat, MA; Okushita, K; Nishimura, K; Heine, T; Jiang, DL

NATURE COMMUNICATIONS 7 2016年07月

ISSN: 2041-1723

DOI
Probing shallow electron traps in cerium-doped Gd3Al2Ga3O12 scintillators by UV-induced absorption spectroscopy

Kitaura, M; Kamada, K; Kurosawa, S; Azuma, J; Ohnishi, A; Yamaji, A; Hara, K

APPLIED PHYSICS EXPRESS 9 ( 7 ) 2016年07月

ISSN: 1882-0778

DOI
Tuning pairwise potential can control the fragility of glass-forming liquids: from a tetrahedral network to isotropic soft sphere models

Ozawa, M; Kim, K; Miyazaki, K

JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT 2016年07月

ISSN: 1742-5468

DOI
Moisture-Induced Reduction of Adhesion Strength between Surface Oxidized Al and Epoxy Resin: Dynamics Simulation with Electronic Structure Calculation

Ogata, S; Takahashi, Y

JOURNAL OF PHYSICAL CHEMISTRY C 120 ( 25 ) 13630 - 13637 2016年06月30日

ISSN: 1932-7447

DOI
Electric field effects on the electronic properties of the silicene-amine interface

Iida, K; Nobusada, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 23 ) 15639 - 15644 2016年06月21日

ISSN: 1463-9076

DOI
Thermodynamic properties of antiferromagnetic ordered states of π-d interacting systems of κ-(BETS)2FeX4(X = Br, Cl)

Fukuoka, S; Yamashita, S; Nakazawa, Y; Yamamoto, T; Fujiwara, H; Shirahata, T; Takahashi, K

PHYSICAL REVIEW B 93 ( 24 ) 2016年06月17日

ISSN: 2469-9950

DOI
Evaluation of Ce:SrAl2O4 crystalline scintillators

Nakauchi, D; Okada, G; Koshimizu, M; Yanagida, T

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 377 89 - 93 2016年06月15日

ISSN: 0168-583X

DOI
Molecular dynamics and first-principles studies of structural change in 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) in crystalline state under high pressure: Comparison of hydrogen bond systems of TATB versus 1,3-diamino-2,4,6-trinitrobenzene (DATB)

Kohno, Y; Mori, K; Hiyoshi, RI; Takahashi, O; Ueda, K

CHEMICAL PHYSICS 472 163 - 172 2016年06月15日

ISSN: 0301-0104

DOI
A molecular dynamics study of local pressures and interfacial tensions of SDS micelles and dodecane droplets in water

Kitabata, M; Fujimoto, K; Yoshii, N; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 144 ( 22 ) 2016年06月14日

ISSN: 0021-9606

DOI
Theoretical study of a positron-attachment to vibrational excited states for non-polar carbon disulfide molecule

Takeda, Y; Kita, Y; Tachikawa, M

EUROPEAN PHYSICAL JOURNAL D 70 ( 6 ) 2016年06月14日

ISSN: 1434-6060

DOI
Fermiology of possible topological superconductor Tl0.5Bi2Te3 derived from hole-doped topological insulator

Trang, CX; Wang, Z; Takane, D; Nakayama, K; Souma, S; Sato, T; Takahashi, T; Taskin, AA; Ando, Y

PHYSICAL REVIEW B 93 ( 24 ) 2016年06月13日

ISSN: 2469-9950

DOI
Polar Order and Symmetry Breaking at the Boundary between Bent-Core and Rodlike Molecular Forms: When 4-Cyanoresorcinol Meets the Carbosilane End Group

Westphal, E; Gallardo, H; Caramori, GF; Sebastián, N; Tamba, MG; Eremin, A; Kawauchi, S; Prehm, M; … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 22 ( 24 ) 8181 - 8197 2016年06月06日

ISSN: 0947-6539

DOI
Chiral Phosphoric Acid Catalyzed Diastereo- and Enantioselective Mannich-Type Reaction between Enamides and Thiazolones

Kikuchi, J; Momiyama, N; Terada, M

ORGANIC LETTERS 18 ( 11 ) 2521 - 2523 2016年06月03日

ISSN: 1523-7060

DOI
Compositions and Structures of Vanadium Oxide Cluster Ions VmOn± (m=2-20) Investigated by Ion Mobility Mass Spectrometry

Wu, JWJ; Moriyama, R; Tahara, H; Ohshimo, K; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 120 ( 21 ) 3788 - 3796 2016年06月02日

ISSN: 1089-5639

DOI
Application of Heterogeneous Polymer-Supported Catalysts to Continuous Flow Systems

Osako, T; Yamada, YMA; Uozumi, Y

JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN 74 ( 6 ) 621 - 630 2016年06月

ISSN: 0037-9980

DOI
Low-temperature growth of single-walled carbon nanotube using Al2O3/Pd/Al2O3 multilayer catalyst by alcohol gas source method at high vacuum

Kiribayashi, H; Ogawa, S; Kozawa, A; Saida, T; Naritsuka, S; Maruyama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 55 ( 6 ) 2016年06月

ISSN: 0021-4922

DOI
Structural Characterization of Heme Environmental Mutants of CgHmuT that Shuttles Heme Molecules to Heme Transporters

Muraki, N; Kitatsuji, C; Ogura, M; Uchida, T; Ishimori, K; Aono, S

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 17 ( 6 ) 2016年06月

DOI
Structure of cellulose/direct dye complex regenerated from supercritical water

Miyamoto, H; Yuguchi, Y; Rein, DM; Cohen, Y; Ueda, K; Yamane, C

CELLULOSE 23 ( 3 ) 2099 - 2115 2016年06月

ISSN: 0969-0239

DOI
Synthesis, crystal structure, magnetic properties and second harmonic generation of a new noncentrosymmetric coordination compound: Triaqua(4-amino-6-methoxypyrimidine) cuprate(II)sulfate

Ben Nasr, M; Kaabi, K; Zeller, M; Fujita, W; da Silva, PSP; Ben Nasr, C

CHINESE CHEMICAL LETTERS 27 ( 6 ) 896 - 900 2016年06月

ISSN: 1001-8417

DOI
Call for papers: addressing quantum many-body problems with cold atoms and molecules

Ohmori, K; Pupillo, G; Thywissen, J; Weidemüller, M

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 49 ( 10 ) 2016年05月28日

ISSN: 0953-4075

DOI
Hard-X-Ray-Induced Multistep Ultrafast Dissociation

Travnikova, O; Marchenko, T; Goldsztejn, G; Jänkälä, K; Sisourat, N; Carniato, S; Guillemin, R; Jou … 全著者表示

PHYSICAL REVIEW LETTERS 116 ( 21 ) 2016年05月27日

ISSN: 0031-9007

DOI
Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2

Kojima, C; Lee, KH; Lin, ZY; Yamashita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 ( 20 ) 6662 - 6669 2016年05月25日

ISSN: 0002-7863

DOI
Anomalous dimensionality dependence of diffusion in a rugged energy landscape: How pathological is one dimension?

Seki, K; Bagchi, K; Bagchi, B

JOURNAL OF CHEMICAL PHYSICS 144 ( 19 ) 2016年05月21日

ISSN: 0021-9606

DOI
Stable compositions and geometrical structures of titanium oxide cluster cations and anions studied by ion mobility mass spectrometry

Ohshimo, K; Norimasa, N; Moriyama, R; Misaizu, F

JOURNAL OF CHEMICAL PHYSICS 144 ( 19 ) 2016年05月21日

ISSN: 0021-9606

DOI
Electrode Material Dependence of the Electron Transfer Kinetics Associated with the [SVW11O40]3-/4- (VV/IV) and [SVW11O40]4-/5- (WVI/V) Processes in Dimethylformamide

Li, JZ; Guo, SX; Bentley, CL; Bano, K; Bond, AM; Zhang, J; Ueda, T

ELECTROCHIMICA ACTA 201 45 - 56 2016年05月20日

ISSN: 0013-4686

DOI
High-energy side-peak emission of exciton-polariton condensates in high density regime

Horikiri, T; Yamaguchi, M; Kamide, K; Matsuo, Y; Byrnes, T; Ishida, N; Löffler, A; Höfling, S; Shik … 全著者表示

SCIENTIFIC REPORTS 6 2016年05月19日

ISSN: 2045-2322

DOI
pKa of a Proton-Conducting Water Chain in Photosystem II

Takaoka, T; Sakashita, N; Saito, K; Ishikita, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 7 ( 10 ) 1925 - 1932 2016年05月19日

ISSN: 1948-7185

DOI
Enhanced Si-O Bond Breaking in Silica Glass by Water Dimer: A Hybrid Quantum-Classical Simulation Study

Kouno, T; Ogata, S; Shimada, T; Tamura, T; Kobayashi, R

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 85 ( 5 ) 2016年05月15日

ISSN: 0031-9015

DOI
Mechanism for doping induced p type C60 using thermally evaporated molybdenum trioxide (MoO3) as a dopant

Yang, JP; Wang, WQ; Cheng, LW; Li, YQ; Tang, JX; Kera, S; Ueno, N; Zeng, XH

JOURNAL OF PHYSICS-CONDENSED MATTER 28 ( 18 ) 2016年05月11日

ISSN: 0953-8984

DOI
Mechanism of Ullmann Coupling Reaction of Chloroarene on Au/Pd Alloy Nanocluster: A DFT Study

Meeprasert, J; Namuangruk, S; Boekfa, B; Dhital, RN; Sakurai, H; Ehara, M

ORGANOMETALLICS 35 ( 9 ) 1192 - 1201 2016年05月09日

ISSN: 0276-7333

DOI
Indirect interband transition induced by optical near fields with large wave numbers

Yamaguchi, M; Nobusada, K

PHYSICAL REVIEW B 93 ( 19 ) 2016年05月06日

ISSN: 2469-9950

DOI
Highly Active and Robust Metalloporphyrin Catalysts for the Synthesis of Cyclic Carbonates from a Broad Range of Epoxides and Carbon Dioxide

Maeda, C; Shimonishi, J; Miyazaki, R; Hasegawa, J; Ema, T

CHEMISTRY-A EUROPEAN JOURNAL 22 ( 19 ) 6556 - 6563 2016年05月04日

ISSN: 0947-6539

DOI
Solvent-Dependent Properties and Higher-Order Structures of Aryl Alcohol plus Surfactant Molecular Gels

Katsube, S; Kinoshita, M; Amano, K; Sato, T; Katsumoto, Y; Umecky, T; Takamuku, T; Kaji, T; Hiramot … 全著者表示

LANGMUIR 32 ( 17 ) 4352 - 4360 2016年05月03日

ISSN: 0743-7463

DOI
A pressure consistent bridge correction of Kovalenko-Hirata closure in Ornstein-Zernike theory for Lennard-Jones fluids by apparently adjusting sigma parameter

Ebato, Y; Miyata, T

AIP ADVANCES 6 ( 5 ) 2016年05月

DOI
Computational Evidence of Inversion of 1La and 1Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study

Shirai, S; Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12 ( 5 ) 2366 - 2372 2016年05月

ISSN: 1549-9618

DOI
Emission properties of [Eu(hfa)3(phen)] and [Eu(hfa)3(TPPO)2] dispersed in a fibrous network comprising p-chlorophenol plus AOT organogels

Watanabe, Y; Harada, T; Kawai, H; Kaji, T; Hiramoto, M; Nishiyama, K

JOURNAL OF MOLECULAR LIQUIDS 217 51 - 56 2016年05月

ISSN: 0167-7322

DOI
Recyclable Polystyrene-Supported Copper Catalysts for the Aerobic Oxidative Homocoupling of Terminal Alkynes

Yan, S; Pan, SG; Osako, T; Uozumi, Y

SYNLETT 27 ( 8 ) 1232 - 1236 2016年05月

ISSN: 0936-5214

DOI
Synthesis of Linear Allylsilanes via Molybdenum-Catalyzed Regioselective Hydrosilylation of Allenes

Asako, S; Ishikawa, S; Takai, K

ACS CATALYSIS 6 ( 5 ) 3387 - 3395 2016年05月

ISSN: 2155-5435

DOI
Theoretical investigations of compositional inhomogeneity around threading dislocations in III-nitride semiconductor alloys

Sakaguchi, R; Akiyama, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 55 ( 5 ) 2016年05月

ISSN: 0021-4922

DOI
Theoretical investigations of initial growth processes on semipolar AlN(11(2)over-bar2) surfaces under metal-organic vapor-phase epitaxy growth condition

Akiyama, T; Takemoto, Y; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 55 ( 5 ) 2016年05月

ISSN: 0021-4922

DOI
Thermodynamic significance to correct the location of first rising region in radial distribution function approximately estimated from Ornstein-Zernike integral equation theory for Lennard-Jones fluids

Miyata, T; Ebato, Y

JOURNAL OF MOLECULAR LIQUIDS 217 75 - 82 2016年05月

ISSN: 0167-7322

DOI
Conformational Constraint of the Glycerol Moiety of Lysophosphatidylserine Affords Compounds with Receptor Subtype Selectivity

Jung, S; Inoue, A; Nakamura, S; Kishi, T; Uwamizu, A; Sayama, M; Ikubo, M; Otani, Y; Kano, K; Makid … 全著者表示

JOURNAL OF MEDICINAL CHEMISTRY 59 ( 8 ) 3750 - 3776 2016年04月28日

ISSN: 0022-2623

DOI
Roles of the scalar and vector components of the solvation effects on the vibrational properties of hydrogen- or halogen-bond accepting stretching modes

Torii, H; Noge, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 15 ) 10081 - 10096 2016年04月21日

ISSN: 1463-9076

DOI
Tetracyclo(2,7-carbazole)s: Diatropicity and Paratropicity of Inner Regions of Nanohoops

Kuroda, Y; Sakamoto, Y; Suzuki, T; Kayahara, E; Yamago, S

JOURNAL OF ORGANIC CHEMISTRY 81 ( 8 ) 3356 - 3363 2016年04月15日

ISSN: 0022-3263

DOI
The Origin of Relative Stability of Di-μ-oxo M-M Chiral Salen Complexes [M-M = Ti(TV)-Ti(IV), V(IV)-V(IV), Cr(IV)-Cr(IV), and Mn(IV) Mn(IV)]: A Quantum-Chemical Analysis

Narayanan, R; Velloth, A; Kurahashi, T; Fujii, H; Hada, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 89 ( 4 ) 447 - 454 2016年04月15日

ISSN: 0009-2673

DOI
Photon-absorbing charge-bridging states in organic bulk heterojunctions consisting of diketopyrrolopyrrole derivatives and PCBM

Fujii, M; Shin, W; Yasuda, T; Yamashita, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 14 ) 9514 - 9523 2016年04月14日

ISSN: 1463-9076

DOI
Dipole analyses for short-circuit current in organic photovoltaic devices of diketopyrrolopyrrole-based donor and PCBM

Koda, S; Fujii, M; Hatamiya, S; Yamashita, K

THEORETICAL CHEMISTRY ACCOUNTS 135 ( 5 ) 2016年04月06日

ISSN: 1432-881X

DOI
Spin-Orbit Coupling Effects on Low-lying Electronic States of PtCN/PtNC and PdCN/PdNC

Ono, Y; Kondo, Y; Kobayashi, M; Taketsugu, T

CHEMISTRY LETTERS 45 ( 4 ) 478 - 480 2016年04月05日

ISSN: 0366-7022

DOI
A theoretical study on the pH dependence of X-ray emission spectra for aqueous acetic acid

Nishida, N; Tokushima, T; Takahashi, O

CHEMICAL PHYSICS LETTERS 649 156 - 161 2016年04月

ISSN: 0009-2614

DOI
Charge transfer states appear in the π-conjugated pure hydrocarbon molecule on Cu(111)

Yonezawa, K; Suda, Y; Yanagisawa, S; Hosokai, T; Kato, K; Yamaguchi, T; Yoshida, H; Ueno, N; Kera, S

APPLIED PHYSICS EXPRESS 9 ( 4 ) 2016年04月

ISSN: 1882-0778

DOI
The Effects of the Organic-Inorganic Interactions on the Thermal Transport Properties of CH3NH3PbI3

Hata, T; Giorgi, G; Yamashita, K

NANO LETTERS 16 ( 4 ) 2749 - 2753 2016年04月

ISSN: 1530-6984

DOI
Electronic excitation and ionization behavior of N-hydroxypyridine-2(1H)-thione and its deprotonated anion in a polarizable medium studied using quantum chemical computations

Fukuda, R; Ehara, M

THEORETICAL CHEMISTRY ACCOUNTS 135 ( 4 ) 2016年03月30日

ISSN: 1432-881X

DOI
Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy

Iwasa, T; Takenaka, M; Taketsugu, T

JOURNAL OF CHEMICAL PHYSICS 144 ( 12 ) 2016年03月28日

ISSN: 0021-9606

DOI
Direct Detection of Fe(II) in Extracellular Polymeric Substances (EPS) at the Mineral-Microbe Interface in Bacterial Pyrite Leaching

Mitsunobu, S; Zhu, M; Takeichi, Y; Ohigashi, T; Suga, H; Jinno, M; Makita, H; Sakata, M; Ono, K; Ma … 全著者表示

MICROBES AND ENVIRONMENTS 31 ( 1 ) 63 - 69 2016年03月26日

ISSN: 1342-6311

DOI
Pure H- conduction in oxyhydrides

Kobayashi, G; Hinuma, Y; Matsuoka, S; Watanabe, A; Iqbal, M; Hirayama, M; Yonemura, M; Kamiyama, T; … 全著者表示

SCIENCE 351 ( 6279 ) 1314 - 1317 2016年03月18日

ISSN: 0036-8075

DOI
A screened automated structural search with semiempirical methods

Ota, Y; Ruiz-Barragan, S; Machida, M; Shiga, M

CHEMICAL PHYSICS LETTERS 648 2016年03月16日

ISSN: 0009-2614

DOI
Simultaneous Measurements of Superradiance at Multiple Wavelength from Helium Excited States: II. Analysis

Ohae, C; Harries, JR; Iwayama, H; Kawaguchi, K; Kuma, S; Miyamoto, Y; Nagasono, M; Nakajima, K; Nak … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 85 ( 3 ) 2016年03月15日

ISSN: 0031-9015

DOI
High-resolution core-level photoemission measurements on the pentacene single crystal surface assisted by photoconduction

Nakayama, Y; Uragami, Y; Yamamoto, M; Yonezawa, K; Mase, K; Kera, S; Ishii, H; Ueno, N

JOURNAL OF PHYSICS-CONDENSED MATTER 28 ( 9 ) 2016年03月09日

ISSN: 0953-8984

DOI
π-Extended Dimeric Dicyanofulvene: A New Class of Electron-accepting Molecule

Endo, Y; Hasegawa, M; Mazaki, Y

CHEMISTRY LETTERS 45 ( 3 ) 250 - 252 2016年03月05日

ISSN: 0366-7022

DOI
Self-Assembly of Tetraphenyldibenzoperiflanthene (DBP) Films on Ag(111) in the Monolayer Regime

Kirchhuebel, T; Gruenewald, M; Sojka, F; Kera, S; Bussolotti, F; Ueba, T; Ueno, N; Rouillé, G; Fork … 全著者表示

LANGMUIR 32 ( 8 ) 1981 - 1987 2016年03月01日

ISSN: 0743-7463

DOI
3D-RISM-MP2 Approach to Hydration Structure of Pt(II) and Pd(II) Complexes: Unusual H-Ahead Mode vs Usual O-Ahead One

Aono, S; Mori, T; Sakaki, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12 ( 3 ) 1189 - 1206 2016年03月

ISSN: 1549-9618

DOI
Contrasting mechanisms for CO2 absorption and regeneration processes in aqueous amine solutions: Insights from density-functional tight-binding molecular dynamics simulations

Nakai, H; Nishimura, Y; Kaiho, T; Kubota, T; Sato, H

CHEMICAL PHYSICS LETTERS 647 127 - 131 2016年03月

ISSN: 0009-2614

DOI
Mass Spectrometric Characterization of HIV-1 Reverse Transcriptase Interactions with Non-nucleoside Reverse Transcriptase Inhibitors

Thammaporn, R; Ishii, K; Yagi-Utsumi, M; Uchiyama, S; Hannongbua, S; Kato, K

BIOLOGICAL & PHARMACEUTICAL BULLETIN 39 ( 3 ) 450 - 454 2016年03月

ISSN: 0918-6158

DOI
Size dependent magnetic and electrical properties of Ba-doped nanocrystalline BiFeO3

Hasan, M; Hakim, MA; Basith, MA; Hossain, MS; Ahmmad, B; Zubair, MA; Hussain, A; Islam, MF

AIP ADVANCES 6 ( 3 ) 2016年03月

DOI
The Enhancement of the Formation of Wells-Dawson-Type Polyoxometalates by the Addition of High Concentrations of LiCl

Ueda, T; Suzuki, M; Toya, T

JOURNAL OF CLUSTER SCIENCE 27 ( 2 ) 501 - 511 2016年03月

ISSN: 1040-7278

DOI
Thermal stability, solubility, and fluorescence property of poly(arylene vinylene ketone)s bearing 1,1′-binaphthylene units

Tsukamoto, T; Maeyama, K; Higashibayashi, S; Sakurai, H

REACTIVE & FUNCTIONAL POLYMERS 100 123 - 129 2016年03月

ISSN: 1381-5148

DOI
Singlet Fission of Non-polycyclic Aromatic Molecules in Organic Photovoltaics

Kawata, S; Pu, YJ; Saito, A; Kurashige, Y; Beppu, T; Katagiri, H; Hada, M; Kido, J

ADVANCED MATERIALS 28 ( 8 ) 1585 - 1590 2016年02月24日

ISSN: 0935-9648

DOI
Conformational Disorder of the Most Immature Cu, Zn-Superoxide Dismutase Leading to Amyotrophic Lateral Sclerosis

Furukawa, Y; Anzai, I; Akiyama, S; Imai, M; Cruz, FJC; Saio, T; Nagasawa, K; Nomura, T; Ishimori, K

JOURNAL OF BIOLOGICAL CHEMISTRY 291 ( 8 ) 4144 - 4155 2016年02月19日

DOI
Dynamic Heterogeneity and the Role of Non-Native Contacts in the Protein Folding/Unfolding Transitions

Mori, T; Saito, S

BIOPHYSICAL JOURNAL 110 ( 3 ) 361A - 361A 2016年02月16日

ISSN: 0006-3495

DOI
Ion-Protein Interactions between a Potassium Channel and Alkali Metal Cations Studied by ATR-FTIR Spectroscopy

Furutani, Y

BIOPHYSICAL JOURNAL 110 ( 3 ) 373A - 374A 2016年02月16日

ISSN: 0006-3495

DOI
On the hierarchical parallelization of ab initio simulations

Ruiz-Barragan, S; Ishimura, K; Shiga, M

CHEMICAL PHYSICS LETTERS 646 130 - 135 2016年02月16日

ISSN: 0009-2614

DOI
Simple and Rapid Fabrication of PDMS Microfluidic Devices Compatible with FTIR Microspectroscopy

Srisa-Art, M; Furutani, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 89 ( 2 ) 195 - 202 2016年02月15日

ISSN: 0009-2673

DOI
High-resolution separation of thiolate-protected gold clusters by reversed-phase high-performance liquid chromatography

Niihori, Y; Uchida, C; Kurashige, W; Negishi, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 6 ) 4251 - 4265 2016年02月14日

ISSN: 1463-9076

DOI
Structural basis for two-step glucose trimming by glucosidase II involved in ER glycoprotein quality control

Satoh, T; Toshimori, T; Yan, GW; Yamaguchi, T; Kato, K

SCIENTIFIC REPORTS 6 2016年02月05日

ISSN: 2045-2322

DOI
A molecular mechanism realizing sequence-specific recognition of nucleic acids by TDP-43

Furukawa, Y; Suzuki, Y; Fukuoka, M; Nagasawa, K; Nakagome, K; Shimizu, H; Mukaiyama, A; Akiyama, S

SCIENTIFIC REPORTS 6 2016年02月03日

ISSN: 2045-2322

DOI
Biomedical Application of Soft X-ray Microscopy with Special Reference to Spectromicroscopy

Ito, A; Inoue, T; Kado, M; Ohigashi, T; Tone, S; Shinohara, K

ACTA PHYSICA POLONICA A 129 ( 2 ) 260 - 263 2016年02月

ISSN: 0587-4246

DOI
Coordination phenomena of alkali metal, alkaline earth metal, and indium ions with the 1,3,6-naphthalenetrisulfonate ion in protic and aprotic solvents

Chen, XH; Hojo, M; Chen, ZD; Kobayashi, M

JOURNAL OF MOLECULAR LIQUIDS 214 369 - 377 2016年02月

ISSN: 0167-7322

DOI
Hydrogen Bonds-Enabled Design of a C1-Symmetric Chiral Bronsted Acid Catalyst

Momiyama, N; Funayama, K; Noda, H; Yamanaka, M; Akasaka, N; Ishida, S; Iwamoto, T; Terada, M

ACS CATALYSIS 6 ( 2 ) 949 - 956 2016年02月

ISSN: 2155-5435

DOI
Lithium ion conduction in doped LaLiO2 system

Iqbal, M; Suzuki, K; Kobayashi, G; Zhao, GW; Hirayama, M; Kanno, R

SOLID STATE IONICS 285 33 - 37 2016年02月

ISSN: 0167-2738

DOI
Monolayer-to-bilayer transformation of silicenes and their structural analysis

Yaokawa, R; Ohsuna, T; Morishita, T; Hayasaka, Y; Spencer, MJS; Nakano, H

NATURE COMMUNICATIONS 7 2016年02月

ISSN: 2041-1723

DOI
Perfluorinated Aryls in the Design of Chiral Bronsted Acid Catalysts: Catalysis of Enantioselective [4+2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls

Momiyama, N; Okamoto, H; Kikuchi, J; Korenaga, T; Terada, M

ACS CATALYSIS 6 ( 2 ) 1198 - 1204 2016年02月

ISSN: 2155-5435

DOI
Quantum process of exciton dissociation at organic semiconductor interfaces: Effects of interface roughness and hot exciton

Iizuka, H; Nakayama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 55 ( 2 ) 2016年02月

ISSN: 0021-4922

DOI
Theoretical investigation of [Ru(tpy)2]2+, [Ru(tpy)(bpy)(H2O)]2+ and [Ru(tpy)(bpy)(Cl)]+ complexes in acetone revisited: Inclusion of strong spin-orbit couplings to quantum chemistry calculations

Mishima, K; Kinoshita, T; Hayashi, M; Jono, R; Segawa, H; Yamashita, K

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 15 ( 1 ) 2016年02月

ISSN: 0219-6336

DOI
Improving cycling performance of Li-rich layered cathode materials through combination of Al2O3-based surface modification and stepwise precycling

Kobayashi, G; Irii, Y; Matsumoto, F; Ito, A; Ohsawa, Y; Yamamoto, S; Cui, YT; Son, JY; Sato, YC

JOURNAL OF POWER SOURCES 303 250 - 256 2016年01月30日

ISSN: 0378-7753

DOI
High-gain mid-infrared optical-parametric generation pumped by microchip laser

Ishizuki, H; Taira, T

OPTICS EXPRESS 24 ( 2 ) 1046 - 1052 2016年01月25日

ISSN: 1094-4087

DOI
High-Temperature Charge and Structure Anomalies in β"-(BEDT-TTF)4[(H3O)Ga(C2O4)3]•C6H5NO2

Ihara, Y; Futami, Y; Kawamoto, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 85 ( 1 ) 2016年01月15日

ISSN: 0031-9015

DOI
Synthesis of Three-Dimensional Butterfly Slit-Cyclobisazaanthracenes and Hydrazinobisanthenes through One-Step Cyclodimerization and Their Properties

Yamamoto, K; Higashibayashi, S

CHEMISTRY-A EUROPEAN JOURNAL 22 ( 2 ) 663 - 671 2016年01月11日

ISSN: 0947-6539

DOI
Membrane-Induced Dichotomous Conformation of Amyloid β with the Disordered N-Terminal Segment Followed by the Stable C-Terminal β Structure

Yagi-Utsumi, M; Kato, K; Nishimura, K

PLOS ONE 11 ( 1 ) 2016年01月05日

ISSN: 1932-6203

DOI
Involvement of crystallinity in various luminescent bands in yttrium aluminate

Morimoto, T; Harima, M; Horii, Y; Ohki, Y

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 366 198 - 205 2016年01月01日

ISSN: 0168-583X

DOI
Molecular Simulations of Protein Systems toward Drug Discovery

Sakae, Y; Nishikawa, N; Tsukamoto, S; Suzuki, T; Okamoto, Y

YAKUGAKU ZASSHI-JOURNAL OF THE PHARMACEUTICAL SOCIETY OF JAPAN 136 ( 1 ) 113 - 120 2016年01月

ISSN: 0031-6903

DOI
A long-tethered (P-B-P)-pincer ligand: synthesis, complexation, and application to catalytic dehydrogenation of alkanes

Kwan, EH; Kawai, YJ; Kamakura, S; Yamashita, M

DALTON TRANSACTIONS 45 ( 40 ) 15931 - 15941 2016年

ISSN: 1477-9226

DOI
A mechanistic insight into metal-cluster π-envelopment: a dual binding mode involving bent and planar ligand-conformers

Masai, K; Shirato, K; Yamamoto, K; Kurashige, Y; Murahashi, T

CHEMICAL COMMUNICATIONS 52 ( 38 ) 6427 - 6430 2016年

ISSN: 1359-7345

DOI
A strongly polarized organic conductor

Akutsu, H; Ishihara, K; Yamada, J; Nakatsuji, S; Turner, SS; Nakazawa, Y

CRYSTENGCOMM 18 ( 42 ) 8151 - 8154 2016年

ISSN: 1466-8033

DOI
An ultra-narrow bandgap derived from thienoisoindigo polymers: structural influence on reducing the bandgap and self-organization

Hasegawa, T; Ashizawa, M; Hiyoshi, J; Kawauchi, S; Mei, JG; Bao, ZN; Matsumoto, H

POLYMER CHEMISTRY 7 ( 5 ) 1181 - 1190 2016年

ISSN: 1759-9954

DOI
Analytical Potential Curve from Non-Born-Oppenheimer Wave Function: Application to Hydrogen Molecular Ion

Nakashima, H; Nakatsuji, H

PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2016 (ICCMSE-2016) 1790 2016年

ISBN: 978-0-7354-1454-9

ISSN: 0094-243X

DOI
Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks

Fujita, W; Tokumitu, A; Fujii, Y; Kikuchi, H

CRYSTENGCOMM 18 ( 44 ) 8614 - 8621 2016年

ISSN: 1466-8033

DOI
Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(II)

Yoneyama, S; Kodama, T; Kikuchi, K; Fujisawa, T; Yamaguchi, A; Sumiyama, A; Shuku, Y; Aoyagi, S; Fu … 全著者表示

DALTON TRANSACTIONS 45 ( 42 ) 16774 - 16778 2016年

ISSN: 1477-9226

DOI
Development of In-situ Sample Cells for Scanning Transmission X-ray Microscopy

Ohigashi, T; Nagasaka, M; Horigome, T; Kosugi, N; Rosendahl, SM; Hitchcock, AP

PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON SYNCHROTRON RADIATION INSTRUMENTATION (SRI2015) 1741 2016年

ISBN: 978-0-7354-1398-6

ISSN: 0094-243X

DOI
Energetics of the Proton Transfer Pathway for Tyrosine D in Photosystem II

Saito, K; Sakashita, N; Ishikita, H

AUSTRALIAN JOURNAL OF CHEMISTRY 69 ( 9 ) 991 - 998 2016年

ISSN: 0004-9425

DOI
Evaluation of the Extraction Properties and Stability of Extracted Rare Earth Complexes in Ionic Liquid Extraction System Using β-Diketone

Matsumiya, M; Yamada, T; Murakami, S; Kohno, Y; Tsunashima, K

SOLVENT EXTRACTION AND ION EXCHANGE 34 ( 5 ) 454 - 468 2016年

ISSN: 0736-6299

DOI
Generation of High Energy Gamma-ray by Laser Compton Scattering of 1.94-μm Fiber Laser in UVSOR-III Electron Storage Ring

Zen, HS; Taira, Y; Konomi, T; Hayakawa, T; Shizuma, T; Yamazaki, J; Kii, T; Toyokawa, H; Katoh, M; … 全著者表示

COE ON SUSTAINABLE ENERGY SYSTEM (THAI-JAPAN) 89 335 - 345 2016年

ISBN: *****************

ISSN: 1876-6102

DOI
Hydrogen bonding to carbonyl oxygen of nitrogen-pyramidalized amide - detection of pyramidalization direction preference by vibrational circular dichroism spectroscopy

Wang, S; Taniguchi, T; Monde, K; Kawahata, M; Yamaguchi, K; Otani, Y; Ohwada, T

CHEMICAL COMMUNICATIONS 52 ( 21 ) 4018 - 4021 2016年

ISSN: 1359-7345

DOI
Influence of structure-property relationships of two structural isomers of thiophene-flanked diazaisoindigo on carrier-transport properties

Ashizawa, M; Hasegawa, T; Kawauchi, S; Masunaga, H; Hikima, T; Satod, H; Matsumoto, H

RSC ADVANCES 6 ( 111 ) 109434 - 109441 2016年

ISSN: 2046-2069

DOI
MADNESS: A MULTIRESOLUTION, ADAPTIVE NUMERICAL ENVIRONMENT FOR SCIENTIFIC SIMULATION

Harrison, RJ; Beylkin, G; Bischoff, FA; Calvin, JA; Fann, GI; Fosso-Tande, J; Galindo, D; Hammond, … 全著者表示

SIAM JOURNAL ON SCIENTIFIC COMPUTING 38 ( 5 ) S123 - S142 2016年

ISSN: 1064-8275

DOI
Observation of DNA and Protein Distributions in Mammalian Cell Nuclei using STXM

Ohigashi, T; Ito, A; Shinohara, K; Tone, S; Kado, M; Inagaki, Y; Wang, YF; Kosugi, N

XRM 2014: PROCEEDINGS OF THE 12TH INTERNATIONAL CONFERENCE ON X-RAY MICROSCOPY 1696 2016年

ISBN: 978-0-7354-1343-6

ISSN: 0094-243X

DOI
Polyiodides in room-temperature ionic liquids

Abe, H; Aono, M; Kiyotani, T; Tsuzuki, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 47 ) 32337 - 32344 2016年

ISSN: 1463-9076

DOI
R/X exchange reactions in cis-[M(R)2{P(X)(NMeCH2)2}2] (M = Pd, Pt), via a phosphenium intermediate

Itazaki, M; Tsuchida, N; Shigesato, Y; Takano, K; Nakazawa, H

DALTON TRANSACTIONS 45 ( 48 ) 19216 - 19220 2016年

ISSN: 1477-9226

DOI
Sc3N@Cs(39715)-C82: a missing isomer linked to Sc3N@C2v(39718)-C82 by a single step Stone-Wales transformation

Guan, WJ; Zhao, P; Li, QZ; Nagase, S; Ehara, M; Zhao, X

RSC ADVANCES 6 ( 79 ) 75588 - 75593 2016年

DOI
Screening of Drugs Inhibiting In vitro Oligomerization of Cu/Zn-Superoxide Dismutase with a Mutation Causing Amyotrophic Lateral Sclerosis

Anzai, I; Toichi, K; Tokuda, E; Mukaiyama, A; Akiyama, S; Furukawa, Y

FRONTIERS IN MOLECULAR BIOSCIENCES 3 2016年

DOI
Size control and vacuum-ultraviolet fluorescence of nanosized KMgF3 single crystals prepared using femtosecond laser pulses

Muramatsu, S; Yanagihara, M; Asaka, T; Ono, S; Nagami, T; Fukuda, K; Suyama, T; Yokota, Y; Yanagida … 全著者表示

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS 17 ( 1 ) 685 - 690 2016年

ISSN: 1468-6996

DOI
SnPhPc phthalocyanines with dianion Pc2- and radical trianion Pc•3- macrocycles: syntheses, structures, and properties

Konarev, DV; Kuzmin, AV; Nakano, Y; Khasanov, SS; Ishikawa, M; Otsuka, A; Yamochi, H; Saito, G; Lyu … 全著者表示

DALTON TRANSACTIONS 45 ( 26 ) 10780 - 10788 2016年

ISSN: 1477-9226

DOI
Synthesis, structure, and spin crossover above room temperature of a mononuclear and related dinuclear double helicate iron(II) complexes

Hagiwara, H; Tanaka, T; Hora, S

DALTON TRANSACTIONS 45 ( 43 ) 17132 - 17140 2016年

ISSN: 1477-9226

DOI
Tandem buildup of complexity of aromatic molecules through multiple successive electrophile generation in one pot, controlled by varying the reaction temperature

Sumita, A; Otani, Y; Ohwada, T

ORGANIC & BIOMOLECULAR CHEMISTRY 14 ( 5 ) 1680 - 1693 2016年

ISSN: 1477-0520

DOI
The reaction mechanism of polyalcohol dehydration in hot pressurized water

Ruiz-Barragan, S; Ariño, JR; Shiga, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 ( 47 ) 32438 - 32447 2016年

ISSN: 1463-9076

DOI
Thermal Dependence on Structures of Muoniated and Hydrogenated Acetone Radicals

Oba, Y; Kawatsu, T; Tachikawa, M

PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2016 (ICCMSE-2016) 1790 2016年

ISBN: 978-0-7354-1454-9

ISSN: 0094-243X

DOI
Tuning the electronic structure of thiolate-protected 25-atom clusters by co-substitution with metals having different preferential sites

Sharma, S; Yamazoe, S; Ono, T; Kurashige, W; Niihori, Y; Nobusada, K; Tsukuda, T; Negishi, Y

DALTON TRANSACTIONS 45 ( 45 ) 18064 - 18068 2016年

ISSN: 1477-9226

DOI
Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein

Kanematsu, Y; Kamikubo, H; Kataoka, M; Tachikawa, M

COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL 14 16 - 19 2016年

ISSN: 2001-0370

DOI
XAS and RIXS study of acetic acid and methyl formate in liquid

Takahashi, O; Nishida, N; Kanai, S; Horikawa, Y; Tokushima, T

16TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE (XAFS16) 712 2016年

ISBN: *****************

ISSN: 1742-6588

DOI
Thickness and Substrate Dependent Thin Film Growth of Picene and Impact on the Electronic Structure

Hosokai, T; Hinderhofer, A; Bussolotti, F; Yonezawa, K; Lorch, C; Vorobiev, A; Hasegawa, Y; Yamada, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 52 ) 29027 - 29037 2015年12月31日

ISSN: 1932-7447

DOI
Coumarin-based donor-π-acceptor organic dyes for a dye-sensitized solar cell: photophysical properties and electron injection mechanism

Namuangruk, S; Jungsuttiwong, S; Kungwan, N; Promarak, V; Sudyoadsuk, T; Jansang, B; Ehara, M

THEORETICAL CHEMISTRY ACCOUNTS 135 ( 1 ) 2015年12月28日

ISSN: 1432-881X

DOI
Initial-value semiclassical propagators for the Wigner phase space representation: Formulation based on the interpretation of the Moyal equation as a Schrodinger equation

Koda, S

JOURNAL OF CHEMICAL PHYSICS 143 ( 24 ) 2015年12月28日

ISSN: 0021-9606

DOI
Spectroscopic study on deuterated benzenes. II. High-resolution laser spectroscopy and rotational structure in the S1 state

Kunishige, S; Katori, T; Baba, M; Hayashi, M; Hasegawa, H; Ohshima, Y

JOURNAL OF CHEMICAL PHYSICS 143 ( 24 ) 2015年12月28日

ISSN: 0021-9606

DOI
Spectroscopic study on deuterated benzenes. III. Vibronic structure and dynamics in the S1 state

Kunishige, S; Katori, T; Kawabata, M; Yamanaka, T; Baba, M

JOURNAL OF CHEMICAL PHYSICS 143 ( 24 ) 2015年12月28日

ISSN: 0021-9606

DOI
Ligand-Controlled Synthesis of [3]- and [4]Cyclo-9,9-dimethyl-2,7-fluorenes through Triangle- and Square-Shaped Platinum Intermediates

Kayahara, E; Qu, R; Kojima, M; Iwamoto, T; Suzuki, T; Yamago, S

CHEMISTRY-A EUROPEAN JOURNAL 21 ( 52 ) 18939 - 18943 2015年12月21日

ISSN: 0947-6539

DOI
Surface Tomonaga-Luttinger-Liquid State on Bi/InSbd(001)

Ohtsubo, Y; Kishi, J; Hagiwara, K; Le Fèvre, P; Bertran, F; Taleb-Ibrahimi, A; Yamane, H; Ideta, S; … 全著者表示

PHYSICAL REVIEW LETTERS 115 ( 25 ) 2015年12月17日

ISSN: 0031-9007

DOI
Discrete Atomic Layers at the Molecular Level

Yorimitsu, H; Bhanuchandra, M

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 84 ( 12 ) 2015年12月15日

ISSN: 0031-9015

DOI
Disassembly of the self-assembled, double-ring structure of proteasome α7 homo-tetradecamer by α6

Ishii, K; Noda, M; Yagi, H; Thammaporn, R; Seetaha, S; Satoh, T; Kato, K; Uchiyama, S

SCIENTIFIC REPORTS 5 2015年12月14日

ISSN: 2045-2322

DOI
Isotope effect on the circular dichroism spectrum of methyl α-D-glucopyranoside in aqueous solution

Kanematsu, Y; Kamiya, Y; Matsuo, K; Gekko, K; Kato, K; Tachikawa, M

SCIENTIFIC REPORTS 5 2015年12月14日

ISSN: 2045-2322

DOI
A Hybrid Strategy for the Preparation of 13C-labeled High-mannose-type Oligosaccharides with Terminal Glucosylation for NMR Study

Zhu, T; Yamaguchi, T; Satoh, T; Kato, K

CHEMISTRY LETTERS 44 ( 12 ) 1744 - 1746 2015年12月05日

ISSN: 0366-7022

DOI
Simulated tempering based on global balance or detailed balance conditions: Suwa-Todo, heat bath, and Metropolis algorithms

Mori, Y; Okumura, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 36 ( 31 ) 2344 - 2349 2015年12月05日

ISSN: 0192-8651

DOI
Synthesis and Characterization of Poly(arylene vinylene ketone)s Bearing 1,1′-Binaphthylene Units through Mizoroki-Heck Coupling Polymerization

Tsukamoto, T; Maeyama, K; Higashibayashi, S; Sakurai, H

CHEMISTRY LETTERS 44 ( 12 ) 1780 - 1782 2015年12月05日

ISSN: 0366-7022

DOI
Electrochemical analysis of iron-porphyrin-catalyzed CO2 reduction under photoirradiation

Fukatsu, A; Kondo, M; Okabe, Y; Masaoka, S

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 313 143 - 148 2015年12月01日

ISSN: 1010-6030

DOI
Effects of doping at the ppm level in Simple n+p-homojunction organic photovoltaic cells

Ohashi, C; Shinmura, Y; Kubo, M; Hiramoto, M

ORGANIC ELECTRONICS 27 151 - 154 2015年12月

ISSN: 1566-1199

DOI
Gold/Palladium Alloy for Carbon-Halogen Bond Activation: An Unprecedented Halide Dependence

Dhital, RN; Bobuatong, K; Ehara, M; Sakurai, H

CHEMISTRY-AN ASIAN JOURNAL 10 ( 12 ) 2668 - 2675 2015年12月

ISSN: 1861-4728

DOI
Quadratic Fermi node in a 3D strongly correlated semimetal

Kondo, T; Nakayama, M; Chen, R; Ishikawa, JJ; Moon, EG; Yamamoto, T; Ota, Y; Malaeb, W; Kanai, H; N … 全著者表示

NATURE COMMUNICATIONS 6 2015年12月

ISSN: 2041-1723

DOI
Tumor Imaging Based on Photon Upconversion of Pt(II) Porphyrin Rhodamine Co-modified NIR Excitable Cellulose Enhanced by Aggregation

Nagai, A; Miller, JB; Kos, P; Elkassih, S; Xiong, H; Siegwartt, DJ

ACS BIOMATERIALS SCIENCE & ENGINEERING 1 ( 12 ) 1206 - 1210 2015年12月

ISSN: 2373-9878

DOI
Operational derivation of Boltzmann distribution with Maxwell's demon model

Hosoya, A; Maruyama, K; Shikano, Y

SCIENTIFIC REPORTS 5 2015年11月24日

ISSN: 2045-2322

DOI
Forcible destruction of severely misfolded mammalian glycoproteins by the non-glycoprotein ERAD pathway

Ninagawa, S; Okada, T; Sumitomo, Y; Horimoto, S; Sugimoto, T; Ishikawa, T; Takeda, S; Yamamoto, T; … 全著者表示

JOURNAL OF CELL BIOLOGY 211 ( 4 ) 775 - 784 2015年11月23日

ISSN: 0021-9525

DOI
Instantaneous Click Chemistry by a Copper-Containing Polymeric-Membrane-Installed Microflow Catalytic Reactor

Yamada, YMA; Ohno, A; Sato, T; Uozumi, Y

CHEMISTRY-A EUROPEAN JOURNAL 21 ( 48 ) 17269 - 17273 2015年11月23日

ISSN: 0947-6539

DOI
Intra- and Intermolecular Reactivity of Triplet Sumanenetrione

Kanahara, K; Badal, MDMR; Hatano, S; Abe, M; Higashibayashi, S; Takashina, N; Sakurai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 88 ( 11 ) 1612 - 1617 2015年11月15日

ISSN: 0009-2673

DOI
Anomalous structural behavior in the metamagnetic transition of FeRh thin films from a local viewpoint

Wakisaka, Y; Uemura, Y; Yokoyama, T; Asakura, H; Morimoto, H; Tabuchi, M; Ohshima, D; Kato, T; Iwat … 全著者表示

PHYSICAL REVIEW B 92 ( 18 ) 2015年11月09日

ISSN: 1098-0121

DOI
π-Conjugated Microporous Polymer Films: Designed Synthesis, Conducting Properties, and Photoenergy Conversions

Gu, C; Huang, N; Chen, YC; Qin, LQ; Xu, H; Zhang, ST; Li, FH; Ma, YG; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 46 ) 13594 - 13598 2015年11月09日

ISSN: 1433-7851

DOI
Retinal Attachment Instability Is Diversified among Mammalian Melanopsins

Tsukamoto, H; Kubo, Y; Farrens, DL; Koyanagi, M; Terakita, A; Furutani, Y

JOURNAL OF BIOLOGICAL CHEMISTRY 290 ( 45 ) 27176 - 27187 2015年11月06日

DOI
Enhancing the photocurrent in high-photovoltage organic solar cells by doping

Kikuchi, M; Shinmura, Y; Kaji, T; Kono, T; Yoshida, Y; Hiramoto, M

JAPANESE JOURNAL OF APPLIED PHYSICS 54 ( 11 ) 2015年11月

ISSN: 0021-4922

DOI
Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization

Saitow, M; Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 11 ( 11 ) 5120 - 5131 2015年11月

ISSN: 1549-9618

DOI
Mechanism of the Aerobic Homocoupling of Phenylboronic Acid on Au20<bold>-</bold>: A DFT Study

Karanjit, S; Ehara, M; Sakurai, H

CHEMISTRY-AN ASIAN JOURNAL 10 ( 11 ) 2397 - 2403 2015年11月

ISSN: 1861-4728

DOI
Observation of Plasmon Wave Packet Motions via Femtosecond Time-Resolved Near-Field Imaging Techniques

Nishiyama, Y; Imura, K; Okamoto, H

NANO LETTERS 15 ( 11 ) 7657 - 7665 2015年11月

ISSN: 1530-6984

DOI
Realization of a Strained Atomic Wire Super lattice

Song, I; Goh, JS; Lee, SH; Jung, SW; Shin, JS; Yamane, H; Kosugi, N; Yeom, HW

ACS NANO 9 ( 11 ) 10621 - 10627 2015年11月

ISSN: 1936-0851

DOI
Stable, crystalline, porous, covalent organic frameworks as a platform for chiral organocatalysts

Xu, H; Gao, J; Jiang, DL

NATURE CHEMISTRY 7 ( 11 ) 905 - 912 2015年11月

ISSN: 1755-4330

DOI
Synthesis of organosoluble and fluorescent aromatic polyketones bearing 1,1'-binaphthyl units through Suzuki-Miyaura coupling polymerization

Maeyama, K; Tsukamoto, T; Kumagai, H; Higashibayashi, S; Sakurai, H

POLYMER BULLETIN 72 ( 11 ) 2903 - 2916 2015年11月

ISSN: 0170-0839

DOI
Estimation of Organic Carbon Content of the Cyanobacterium Synechococcus sp by Soft X-ray Microscopy

Ikegaya, H; Suzuki, S; Ichise, S; Furuta, S; Wakabayashi, S; Ohigashi, T; Bamba, D; Namba, H; Kihar … 全著者表示

GEOMICROBIOLOGY JOURNAL 32 ( 9 ) 827 - 835 2015年10月21日

ISSN: 0149-0451

DOI
Visualizing chemical states and defects induced magnetism of graphene oxide by spatially-resolved-X-ray microscopy and spectroscopy

Wang, YF; Singh, SB; Limaye, MV; Shao, YC; Hsieh, SH; Chen, LY; Hsueh, HC; Wang, HT; Chiou, JW; Yeh … 全著者表示

SCIENTIFIC REPORTS 5 2015年10月20日

ISSN: 2045-2322

DOI
Double core hole spectroscopy with synchrotron radiation

Penent, F; Nakano, M; Tashiro, M; Grozdanov, TP; Zitnik, M; Bucar, K; Carniato, S; Selles, P; Andri … 全著者表示

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 204 303 - 312 2015年10月15日

ISSN: 0368-2048

DOI
Investigating Orbital Magnetic Moments in Spinel-Type MnV2O4 Using X-ray Magnetic Circular Dichroism

Okabayashi, J; Miyasaka, S; Hemmi, K; Tanaka, K; Tajima, S; Wadati, H; Tanaka, A; Takagi, Y; Yokoya … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 84 ( 10 ) 2015年10月15日

ISSN: 0031-9015

DOI
Theoretical Insight into Sc2O@C84: Interplay between Small Cluster and Large Carbon Cage

Guo, YJ; Zhao, X; Zhao, P; Yang, T

JOURNAL OF PHYSICAL CHEMISTRY A 119 ( 41 ) 10428 - 10439 2015年10月15日

ISSN: 1089-5639

DOI
Designed synthesis of double-stage two-dimensional covalent organic frameworks

Chen, X; Addicoat, M; Jin, EQ; Xu, H; Hayashi, T; Xu, F; Huang, N; Irle, S; Jiang, DL

SCIENTIFIC REPORTS 5 2015年10月12日

ISSN: 2045-2322

DOI
Hydrogen-Bonded Networks in Hydride Water Clusters, F-(H2O)n and Cl-(H2O)n: Cubic Form of F-(H2O)7 and Cl-(H2O)7

Ishibashi, C; Iwata, S; Onoe, K; Matsuzawa, H

JOURNAL OF PHYSICAL CHEMISTRY A 119 ( 40 ) 10241 - 10253 2015年10月08日

ISSN: 1089-5639

DOI
Nonlinear optical response induced by a second-harmonic electric-field component concomitant with optical near-field excitation

Yamaguchi, M; Nobusada, K; Yatsui, T

PHYSICAL REVIEW A 92 ( 4 ) 2015年10月08日

ISSN: 1050-2947

DOI
pH-Dependent Assembly and Segregation of the Coiled-Coil Segments of Yeast Putative Cargo Receptors Emp46p and Emp47p

Ishii, K; Enda, H; Noda, M; Kajino, M; Kim, A; Kurimoto, E; Sato, K; Nakano, A; Kobayashi, Y; Yagi, … 全著者表示

PLOS ONE 10 ( 10 ) 2015年10月08日

ISSN: 1932-6203

DOI
Importance of the Side Chain at Position 296 of Antibody Fc in Interactions with FcγRIIIa and Other Fcγ Receptors

Isoda, Y; Yagi, H; Satoh, T; Shibata-Koyama, M; Masuda, K; Satoh, M; Kato, K; Iida, S

PLOS ONE 10 ( 10 ) 2015年10月07日

ISSN: 1932-6203

DOI
Control over overall shape and size in de novo designed proteins

Lin, YR; Koga, N; Tatsumi-Koga, R; Liu, G; Clouser, AF; Montelione, GT; Baker, D

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 112 ( 40 ) E5478 - E5485 2015年10月06日

ISSN: 0027-8424

DOI
Influence of pulse width and detuning on coherent phonon generation

Nakamura, KG; Shikano, Y; Kayanuma, Y

PHYSICAL REVIEW B 92 ( 14 ) 2015年10月06日

ISSN: 2469-9950

DOI
Synthesis and Acid-responsive Electron-transfer Disproportionation of Non- and Tetramesityl-substituted 1,1′,9,9′-Bicarbazole

Pandit, P; Nakamura, T; Higashibayashi, S

CHEMISTRY LETTERS 44 ( 10 ) 1336 - 1338 2015年10月05日

ISSN: 0366-7022

DOI
Photoelectron spectroscopy on the charge reorganization energy and small polaron binding energy of molecular film

Kera, S; Ueno, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 204 2 - 11 2015年10月01日

ISSN: 0368-2048

DOI
Systematic study on intermolecular valence-band dispersion in molecular crystalline films

Yamane, H; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 204 61 - 67 2015年10月01日

ISSN: 0368-2048

DOI
Backbone 1H, 13C, and 15N resonance assignments of the Fc fragment of human immunoglobulin G glycoprotein

Yagi, H; Zhang, Y; Yagi-Utsumi, M; Yamaguchi, T; Iida, S; Yamaguchi, Y; Kato, K

BIOMOLECULAR NMR ASSIGNMENTS 9 ( 2 ) 257 - 260 2015年10月

ISSN: 1874-2718

DOI
Complex Absorbing Potentials with Voronoi Isosurfaces Wrapping Perfectly around Molecules

Sommerfeld, T; Ehara, M

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 11 ( 10 ) 4627 - 4633 2015年10月

ISSN: 1549-9618

DOI
In Situ X-ray Visualization of the Lithiation Process in a Porous Graphite Electrode in an Operating Li-Ion Cell

Tsushima, S; Hung, WH; Deevanhxay, P; Kobayashi, G; Kanno, R; Hirai, S

CHEMELECTROCHEM 2 ( 10 ) 1535 - 1540 2015年10月

ISSN: 2196-0216

DOI
Paramagnetic NMR probes for characterization of the dynamic conformations and interactions of oligosaccharides

Kato, K; Yamaguchi, T

GLYCOCONJUGATE JOURNAL 32 ( 7 ) 505 - 513 2015年10月

ISSN: 0282-0080

DOI
Surface electronic structures of lithium nickel oxide solid solutions: selective methane oxidation

Miyazaki, T; Sumii, R; Tanaka, H; Amemiya, K; Hino, S

RESEARCH ON CHEMICAL INTERMEDIATES 41 ( 10 ) 7405 - 7412 2015年10月

ISSN: 0922-6168

DOI
Design of Highly Photofunctional Porous Polymer Films with Controlled Thickness and Prominent Microporosity

Gu, C; Huang, N; Wu, Y; Xu, H; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 39 ) 11540 - 11544 2015年09月21日

ISSN: 1433-7851

DOI
Manipulation and visualization of two-dimensional phase distribution of vibrational wave functions in solid parahydrogen crystal

Katsuki, H; Ohmori, K; Horie, T; Yanagi, H; Ohmori, K

PHYSICAL REVIEW B 92 ( 9 ) 2015年09月18日

ISSN: 1098-0121

DOI
A vesicular self-assembled amphiphilic palladium NNC-pincer complex-catalyzed allylic arylation of allyl acetates with sodium tetraarylborates in water

Hamasaka, G; Sakurai, F; Uozumi, Y

TETRAHEDRON 71 ( 37 ) 6437 - 6441 2015年09月16日

ISSN: 0040-4020

DOI
Multiple Auger decay of the neon 1s-core-hole state studied by multielectron coincidence spectroscopy

Hikosaka, Y; Kaneyasu, T; Lablanquie, P; Penent, F; Shigemasa, E; Ito, K

PHYSICAL REVIEW A 92 ( 3 ) 2015年09月14日

ISSN: 2469-9926

DOI
Redox-coupled structural changes of the catalytic a' domain of protein disulfide isomerase

Inagaki, K; Satoh, T; Yagi-Utsumi, M; Le Gulluche, AC; Anzai, T; Uekusa, Y; Kamiya, Y; Kato, K

FEBS LETTERS 589 ( 19 ) 2690 - 2694 2015年09月14日

ISSN: 0014-5793

DOI
Titania may produce abiotic oxygen atmospheres on habitable exoplanets

Narita, N; Enomoto, T; Masaoka, S; Kusakabe, N

SCIENTIFIC REPORTS 5 2015年09月10日

ISSN: 2045-2322

DOI
Structural basis of redox-dependent substrate binding of protein disulfide isomerase

Yagi-Utsumi, M; Satoh, T; Kato, K

SCIENTIFIC REPORTS 5 2015年09月09日

ISSN: 2045-2322

DOI
Reverse Catalase Reaction: Dioxygen Activation via Two-Electron Transfer from Hydroxide to Dioxygen Mediated By a Manganese(III) Salen Complex

Kurahashi, T

INORGANIC CHEMISTRY 54 ( 17 ) 8356 - 8366 2015年09月07日

ISSN: 0020-1669

DOI
Acid-regulated Electron-transfer Disproportionation of a Nonsubstituted Tetramethyl-biacridine Derivative

Yamamoto, K; Nakamura, T; Higashibayashi, S

CHEMISTRY LETTERS 44 ( 9 ) 1229 - 1231 2015年09月05日

ISSN: 0366-7022

DOI
Designed Synthesis of Porphyrin-based Two-dimensional Covalent Organic Frameworks with Highly Ordered Structures

Chen, X; Gao, J; Jiang, DL

CHEMISTRY LETTERS 44 ( 9 ) 1257 - 1259 2015年09月05日

ISSN: 0366-7022

DOI
Synthesis of Molecular Wires Strapped by π-Conjugated Side Chains: Integration of Dehydrobenzo[20]annulene Units

Terao, J; Ohsawa, M; Masai, H; Kurashige, Y; Fujihara, T; Tsuji, Y

JOURNAL OF ORGANIC CHEMISTRY 80 ( 17 ) 8874 - 8880 2015年09月04日

ISSN: 0022-3263

DOI
Role of Quantum and Surface-State Effects in the Bulk Fermi-Level Position of Ultrathin Bi Films

Hirahara, T; Shirai, T; Hajiri, T; Matsunami, M; Tanaka, K; Kimura, S; Hasegawa, S; Kobayashi, K

PHYSICAL REVIEW LETTERS 115 ( 10 ) 2015年09月03日

ISSN: 0031-9007

DOI
Direct detection of density of gap states in C60 single crystals by photoemission spectroscopy

Bussolotti, F; Yang, JP; Hiramoto, M; Kaji, T; Kera, S; Ueno, N

PHYSICAL REVIEW B 92 ( 11 ) 2015年09月01日

ISSN: 2469-9950

DOI
Diode edge-pumped passively Q-switched microchip laser

Kong, WP; Tsunekane, M; Taira, T

OPTICAL ENGINEERING 54 ( 9 ) 2015年09月

ISSN: 0091-3286

DOI
Electronic structure of Mott-insulator CaCu3Ti4O12: Photoemission and inverse photoemission study

Im, HJ; Iwataki, M; Yamazaki, S; Usui, T; Adachi, S; Tsunekawa, M; Watanabe, T; Takegahara, K; Kimu … 全著者表示

SOLID STATE COMMUNICATIONS 217 17 - 20 2015年09月

ISSN: 0038-1098

DOI
Generation and Characterization of Phase-Stable Sub-Single-Cycle Pulses at 3000 cm-1

Fuji, T; Nomura, Y; Shirai, H

IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS 21 ( 5 ) 1 - 12 2015年09月

ISSN: 1077-260X

DOI
Organoborane-Catalyzed Hydrogenation of Unactivated Aldehydes with a Hantzsch Ester as a Synthetic NAD(P)H Analogue

Hamasaka, G; Tsuji, H; Uozumi, Y

SYNLETT 26 ( 14 ) 2037 - 2041 2015年09月

ISSN: 0936-5214

DOI
Sub-4-optical-cycle, 340MW peak power, high stability mid-IR source at 160kHz

Baudisch, M; Pires, H; Ishizuki, H; Taira, T; Hemmer, M; Biegert, J

JOURNAL OF OPTICS 17 ( 9 ) 2015年09月

ISSN: 2040-8978

DOI
The role of gap states on energy level alignment at an α-NPD/HAT(CN)6 charge generation interface

Yang, JP; Bussolotti, F; Li, YQ; Zeng, XH; Kera, S; Tang, JX; Ueno, N

ORGANIC ELECTRONICS 24 120 - 124 2015年09月

ISSN: 1566-1199

DOI
Ultrabroadband mid-infrared spectroscopy with four-wave difference frequency generation

Fuji, T; Shirai, H; Nomura, Y

JOURNAL OF OPTICS 17 ( 9 ) 2015年09月

ISSN: 2040-8978

DOI
Understanding Ligand-Exchange Reactions on Thiolate-Protected Gold Clusters by Probing Isomer Distributions Using Reversed-Phase High-Performance Liquid Chromatography

Niihori, Y; Kikuchi, Y; Kato, A; Matsuzaki, M; Negishi, Y

ACS NANO 9 ( 9 ) 9347 - 9356 2015年09月

ISSN: 1936-0851

DOI
Ultrafast Dynamics of Liquid Water: Energy Relaxation and Transfer Processes of the OH Stretch and the HOH Bend

Imoto, S; Xantheas, SS; Saito, S

JOURNAL OF PHYSICAL CHEMISTRY B 119 ( 34 ) 11068 - 11078 2015年08月27日

ISSN: 1520-6106

DOI
Direct Observation of Active Nickel Oxide Cluster in Nickel Borate Electrocatalyst for Water Oxidation by In Situ O K-Edge X-ray Absorption Spectroscopy

Yoshida, M; Mitsutomi, Y; Mineo, T; Nagasaka, M; Yuzawa, H; Kosugi, N; Kondoh, H

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 33 ) 19279 - 19286 2015年08月20日

ISSN: 1932-7447

DOI
Observation of Body-Centered Cubic Gold Nanocluster

Liu, C; Li, T; Li, G; Nobusada, K; Zeng, CJ; Pang, GS; Rosi, NL; Jin, RC

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 34 ) 9826 - 9829 2015年08月17日

ISSN: 1433-7851

DOI
Theoretical Insight into the Ambiguous Endohedral Metallofullerene Er3C74: Covalent Interactions among Three Lanthanide Atoms

Guo, YJ; Zheng, H; Yang, T; Nagase, S; Zhao, X

INORGANIC CHEMISTRY 54 ( 16 ) 8066 - 8076 2015年08月17日

ISSN: 0020-1669

DOI
Improving DIIS convergence for metallic systems using Gaussian basis set

Sulzer, D; Iuchi, S; Yasuda, K

CHEMICAL PHYSICS LETTERS 635 201 - 204 2015年08月16日

ISSN: 0009-2614

DOI
High-power, widely tunable, room-temperature picosecond optical parametric oscillator based on cylindrical 5%MgO:PPLN

Kumar, SC; Wei, JX; Debray, J; Kemlin, V; Boulanger, B; Ishizuki, H; Taira, T; Ebrahim-Zadeh, M

OPTICS LETTERS 40 ( 16 ) 3897 - 3900 2015年08月15日

ISSN: 0146-9592

DOI
Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

Monahan, DM; Whaley-Mayda, L; Ishizaki, A; Fleming, GR

JOURNAL OF CHEMICAL PHYSICS 143 ( 6 ) 2015年08月14日

ISSN: 0021-9606

DOI
A 3D-RISM integral equation study of a hydrated dipeptide

Iwasaki, H; Gyoubu, S; Kawatsu, T; Miura, S

MOLECULAR SIMULATION 41 ( 10-12 ) 1015 - 1020 2015年08月13日

ISSN: 0892-7022

DOI
Molecular dynamics simulation study on the high-pressure behaviour of an AK16 peptide

Mori, Y; Okumura, H

MOLECULAR SIMULATION 41 ( 10-12 ) 1035 - 1040 2015年08月13日

ISSN: 0892-7022

DOI
Replica-permutation method to enhance sampling efficiency

Itoh, SG; Okumura, H

MOLECULAR SIMULATION 41 ( 10-12 ) 1021 - 1026 2015年08月13日

ISSN: 0892-7022

DOI
The isotope effects on a hydrogen transfer using path integral instanton method

Kawatsu, T; Miura, S

MOLECULAR SIMULATION 41 ( 10-12 ) 861 - 867 2015年08月13日

ISSN: 0892-7022

DOI
Advantages of nonclassical pointer states in postselected weak measurements

Turek, Y; Maimaiti, W; Shikano, Y; Sun, CP; Al-Amri, M

PHYSICAL REVIEW A 92 ( 2 ) 2015年08月11日

ISSN: 1050-2947

DOI
Post-selected von Neumann measurement with Hermite-Gaussian and Laguerre-Gaussian pointer states

Turek, Y; Kobayashi, H; Akutsu, T; Sun, CP; Shikano, Y

NEW JOURNAL OF PHYSICS 17 2015年08月10日

ISSN: 1367-2630

DOI
Probing Interfacial Water on Nanodiamonds in Colloidal Dispersion

Petit, T; Yuzawa, H; Nagasaka, M; Yamanoi, R; Osawa, E; Kosugi, N; Aziz, EF

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 6 ( 15 ) 2909 - 2912 2015年08月06日

ISSN: 1948-7185

DOI
Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation

Ono, T; Sugimoto, M; Hisaeda, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 30 ) 9519 - 9522 2015年08月05日

ISSN: 0002-7863

DOI
Effect of microwave irradiation on the electronic structure of ZnO

Yoshida, K; Sonobe, T; Zen, H; Hachiya, K; Okumura, K; Mishima, K; Inukai, M; Negm, H; Torgasin, K; … 全著者表示

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 83 47 - 51 2015年08月

ISSN: 0022-3697

DOI
First-principles calculation of electronic properties of isoelectronic impurity complexes in Si

Iizuka, S; Nakayama, T

APPLIED PHYSICS EXPRESS 8 ( 8 ) 2015年08月

ISSN: 1882-0778

DOI
Microscopic evidence of a metallic state in the one-pot organic conductor ammonium tetrathiapentalene carboxylate

Nakamura, T; Furukawa, K; Terauchi, T; Kobayashi, Y

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS 9 ( 8 ) 480 - 484 2015年08月

ISSN: 1862-6254

DOI
Synthetic Method for 2,2′-Disubstituted Fluorinated Binaphthyl Derivatives and Application as Chiral Source in Design of Chiral Mono-Phosphoric Acid Catalyst

Momiyama, N; Okamoto, H; Shimizu, M; Terada, M

CHIRALITY 27 ( 8 ) 464 - 475 2015年08月

ISSN: 0899-0042

DOI
Local response to light excitation in the charge-ordered phase of (EDO-TTF)2SbF6

Servol, M; Moisan, N; Collet, E; Cailleau, H; Kaszub, W; Toupet, L; Boschetto, D; Ishikawa, T; Moré … 全著者表示

PHYSICAL REVIEW B 92 ( 2 ) 2015年07月24日

ISSN: 2469-9950

DOI
A Photoresponsive Smart Covalent Organic Framework

Huang, N; Ding, XS; Kim, J; Ihee, H; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 30 ) 8704 - 8707 2015年07月20日

ISSN: 1433-7851

DOI
Molecular g-tensors from analytical response theory and quasi-degenerate perturbation theory in the framework of complete active space self-consistent field method

Lan, TN; Chalupsky, J; Yanai, T

MOLECULAR PHYSICS 113 ( 13-14 ) 1750 - 1767 2015年07月18日

ISSN: 0026-8976

DOI
Atomic-scale origins of slowness in the cyanobacterial circadian clock

Abe, J; Hiyama, TB; Mukaiyama, A; Son, S; Mori, T; Saito, S; Osako, M; Wolanin, J; Yamashita, E; Ko … 全著者表示

SCIENCE 349 ( 6245 ) 312 - 316 2015年07月17日

ISSN: 0036-8075

DOI
Synthesis and Optical Properties of Imidazole- and Benzimidazole-Based Fused π-Conjugated Compounds: Influence of Substituent, Counteranion, and π-Conjugated System

Takagi, K; Kusafuka, K; Ito, Y; Yamauchi, K; Ito, K; Fukuda, R; Ehara, M

JOURNAL OF ORGANIC CHEMISTRY 80 ( 14 ) 7172 - 7183 2015年07月17日

ISSN: 0022-3263

DOI
Plasmon Dephasing in Single Gold Nanorods Observed By Ultrafast Time-Resolved Near-Field Optical Microscopy

Nishiyama, Y; Imaeda, K; Imura, K; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 28 ) 16215 - 16222 2015年07月16日

ISSN: 1932-7447

DOI
Comparison of Replica-Permutation Molecular Dynamics Simulations with and without Detailed Balance Condition

Nishizawa, H; Okumura, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 84 ( 7 ) 2015年07月15日

ISSN: 0031-9015

DOI
A Self-Assembled Spherical Complex Displaying a Gangliosidic Glycan Cluster Capable of Interacting with Amyloidogenic Proteins

Sato, S; Yoshimasa, Y; Fujita, D; Yagi-Utsumi, M; Yamaguchi, T; Kato, K; Fujita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 29 ) 8435 - 8439 2015年07月13日

ISSN: 1433-7851

DOI
Reaction Pathway and Free Energy Landscape of Catalytic Oxidation of Carbon Monoxide Operated by a Novel Supported Gold-Copper Alloy Cluster

Koizumi, K; Nobusada, K; Boero, M

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 27 ) 15421 - 15427 2015年07月09日

ISSN: 1932-7447

DOI
How Can We Understand Au8 Cores and Entangled Ligands of Selenolate- and Thiolate-Protected Gold Nanoclusters Au24(ER)20 and Au20(ER)16 (E = Se, S; R = Ph, Me)? A Theoretical Study

Takagi, N; Ishimura, K; Matsui, M; Fukuda, R; Matsui, T; Nakajima, T; Ehara, M; Sakaki, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 26 ) 8593 - 8602 2015年07月08日

ISSN: 0002-7863

DOI
A Convoluted Polymeric Imidazole Palladium Catalyst: Structural Elucidation and Investigation of the Driving Force for the Efficient Mizoroki-Heck Reaction

Sato, T; Ohno, A; Sarkar, SM; Uozumi, Y; Yamada, YMA

CHEMCATCHEM 7 ( 14 ) 2141 - 2148 2015年07月

ISSN: 1867-3880

DOI
Dinuclear palladium(I) sandwich complexes of furan and toluene

Yamamoto, K; Ishikawa, Y; Kimura, S; Takase, K; Murahashi, T

COMPTES RENDUS CHIMIE 18 ( 7 ) 785 - 789 2015年07月

ISSN: 1631-0748

DOI
Exfoliation of Graphene and Assembly Formation with Alkylated-C60: A Nanocarbon Hybrid towards Photo-Energy Conversion Electrode Devices

Shen, YF; Saeki, A; Seki, S; Lee, JO; Aimi, J; Nakanishi, T

ADVANCED OPTICAL MATERIALS 3 ( 7 ) 925 - 930 2015年07月

ISSN: 2195-1071

DOI
Legendre submanifolds in contact manifolds as attractors and geometric nonequilibrium thermodynamics

Goto, S

JOURNAL OF MATHEMATICAL PHYSICS 56 ( 7 ) 2015年07月

ISSN: 0022-2488

DOI
Mechanistic Insights into Copper-Catalyzed Azide-Alkyne Cycloaddition (CuAAC): Observation of Asymmetric Amplification

Osako, T; Uozumi, Y

SYNLETT 26 ( 11 ) 1475 - 1479 2015年07月

ISSN: 0936-5214

DOI
Rational design of crystalline supermicroporous covalent organic frameworks with triangular topologies

Dalapati, S; Addicoat, M; Jin, SB; Sakurai, T; Gao, J; Xu, H; Irle, S; Seki, S; Jiang, DL

NATURE COMMUNICATIONS 6 2015年07月

ISSN: 2041-1723

DOI
Site-specific formation of metastable OCS2+ studied by Auger-electron-ion coincidence method

Kaneyasu, T; Ito, M; Soejima, K; Hikosaka, Y; Shigemasa, E

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 48 ( 12 ) 2015年06月28日

ISSN: 0953-4075

DOI
Oxygen Evolution Catalyzed by a Mononuclear Ruthenium Complex Bearing Pendant SO3- Groups

Yoshida, M; Kondo, M; Torii, S; Sakai, K; Masaoka, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 27 ) 7981 - 7984 2015年06月26日

ISSN: 1433-7851

DOI
Creation of Superheterojunction Polymers via Direct Polycondensation: Segregated and Bicontinuous Donor-Acceptor π-Columnar Arrays in Covalent Organic Frameworks for Long-Lived Charge Separation

Jin, SB; Supur, M; Addicoat, M; Furukawa, K; Chen, L; Nakamura, T; Fukuzumi, S; Irle, S; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 24 ) 7817 - 7827 2015年06月24日

ISSN: 0002-7863

DOI
Aggregation-Induced Photon Upconversion through Control of the Triplet Energy Landscapes of the Solution and Solid States

Duan, PF; Yanai, N; Kurashige, Y; Kimizuka, N

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 26 ) 7544 - 7549 2015年06月22日

ISSN: 1433-7851

DOI
Selective Probing of the Penetration of Dexamethasone into Human Skin by Soft X-ray Spectromicroscopy

Yamamoto, K; Flesch, R; Ohigashi, T; Hedtrich, S; Klossek, A; Patoka, P; Ulrich, G; Ahlberg, S; Ran … 全著者表示

ANALYTICAL CHEMISTRY 87 ( 12 ) 6173 - 6179 2015年06月16日

ISSN: 0003-2700

DOI
Mass-Resolved Velocity Map Imaging of Doubly Charged Photofragments from C60

Katayanagi, H; Mitsuke, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 88 ( 6 ) 857 - 861 2015年06月15日

ISSN: 0009-2673

DOI
Ectopic clustering of Cajal-Retzius and subplate cells is an initial pathological feature in Pomgnt2-knockout mice, a model of dystroglycanopathy

Nakagawa, N; Yagi, H; Kato, K; Takematsu, H; Oka, S

SCIENTIFIC REPORTS 5 2015年06月10日

ISSN: 2045-2322

DOI
Tailor-Made Pore Surface Engineering in Covalent Organic Frameworks: Systematic Functionalization for Performance Screening

Huang, N; Krishna, R; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 22 ) 7079 - 7082 2015年06月10日

ISSN: 0002-7863

DOI
Control of optical response of a supported cluster on different dielectric substrates

Iida, K; Noda, M; Nobusada, K

JOURNAL OF CHEMICAL PHYSICS 142 ( 21 ) 2015年06月07日

ISSN: 0021-9606

DOI
Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

Ono, J; Takada, S; Saito, S

JOURNAL OF CHEMICAL PHYSICS 142 ( 21 ) 2015年06月07日

ISSN: 0021-9606

DOI
Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

Fujihashi, Y; Fleming, GR; Ishizaki, A

JOURNAL OF CHEMICAL PHYSICS 142 ( 21 ) 2015年06月07日

ISSN: 0021-9606

DOI
Theoretical Study of Decomposition of Methanediol in Aqueous Solution

Inaba, S

JOURNAL OF PHYSICAL CHEMISTRY A 119 ( 22 ) 5816 - 5825 2015年06月04日

ISSN: 1089-5639

DOI
(2+2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M3N@C80 (M = Sc, Y): A Rotating-Intermediate Mechanism

Yang, T; Nagase, S; Akasaka, T; Poblet, JM; Houk, KN; Ehara, M; Zhao, X

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 21 ) 6820 - 6828 2015年06月03日

ISSN: 0002-7863

DOI
Renewed focus on the small temperature change of smectic layer spacing in ferroelectric and antiferroelectric LCs

Yamada, Y; Fukuda, A; Vij, JK; Hayashi, N; Ando, T

LIQUID CRYSTALS 42 ( 5-6 ) 864 - 876 2015年06月03日

ISSN: 0267-8292

DOI
Synthesis and biological activities of the amide derivative of aplog-1, a simplified analog of aplysiatoxin with anti-proliferative and cytotoxic activities

Hanaki, Y; Yanagita, RC; Sugahara, T; Aida, M; Tokuda, H; Suzuki, N; Irie, K

BIOSCIENCE BIOTECHNOLOGY AND BIOCHEMISTRY 79 ( 6 ) 888 - 895 2015年06月03日

ISSN: 0916-8451

DOI
Radical Covalent Organic Frameworks: A General Strategy to Immobilize Open-Accessible Polyradicals for High-Performance Capacitive Energy Storage

Xu, F; Xu, H; Chen, X; Wu, DC; Wu, Y; Liu, H; Gu, C; Fu, RW; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 23 ) 6814 - 6818 2015年06月01日

ISSN: 1433-7851

DOI
NMR-based structural validation of therapeutic antibody produced in Nicotiana benthamiana

Yagi, H; Fukuzawa, N; Tasaka, Y; Matsuo, K; Zhang, Y; Yamaguchi, T; Kondo, S; Nakazawa, S; Hashii, … 全著者表示

PLANT CELL REPORTS 34 ( 6 ) 959 - 968 2015年06月

ISSN: 0721-7714

DOI
Stable isotope labeling of glycoprotein expressed in silkworms using immunoglobulin G as a test molecule

Yagi, H; Nakamura, M; Yokoyama, J; Zhang, Y; Yamaguchi, T; Kondo, S; Kobayashi, J; Kato, T; Park, E … 全著者表示

JOURNAL OF BIOMOLECULAR NMR 62 ( 2 ) 157 - 167 2015年06月

ISSN: 0925-2738

DOI
Water-Dimer Stability and Its Fullerene Encapsulations

Uhlík, F; Slanina, Z; Lee, SL; Wang, BC; Adamowicz, L; Nagase, S

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 12 ( 6 ) 959 - 964 2015年06月

ISSN: 1546-1955

DOI
Revisiting the Extrapolation of Correlation Energies to Complete Basis Set Limit

Okoshi, M; Atsumi, T; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 36 ( 14 ) 1075 - 1082 2015年05月30日

ISSN: 0192-8651

DOI
A streak camera study of superfluorescence at multiple wavelengths from helium atoms excited using free electron laser pulses

Harries, JR; Iwayama, H; Nagasono, M; Togashi, T; Yabashi, M; Kuma, S; Nakajima, K; Miyamoto, Y; Oh … 全著者表示

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 48 ( 10 ) 2015年05月28日

ISSN: 0953-4075

DOI
Equivalence between a generalized dendritic network and a set of one-dimensional networks as a ground of linear dynamics

Koda, S

JOURNAL OF CHEMICAL PHYSICS 142 ( 20 ) 2015年05月28日

ISSN: 0021-9606

DOI
Ultrabroadband Midinfrared Pump-Probe Spectroscopy Using Chirped-Pulse Up-conversion in Gases

Shirai, H; Yeh, TT; Nomura, Y; Luo, CW; Fuji, T

PHYSICAL REVIEW APPLIED 3 ( 5 ) 2015年05月28日

ISSN: 2331-7019

DOI
Controlled Loading of Small Aun Clusters (n=10-39) onto BaLa4Ti4O15 Photocatalysts: Toward an Understanding of Size Effect of Cocatalyst on Water-Splitting Photocatalytic Activity

Negishi, Y; Matsuura, Y; Tomizawa, R; Kurashige, W; Niihori, Y; Takayama, T; Iwase, A; Kudo, A

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 20 ) 11224 - 11232 2015年05月21日

ISSN: 1932-7447

DOI
Solving the Schrodinger equation of molecules by relaxing the antisymmetry rule: Inter-exchange theory

Nakatsuji, H; Nakashima, H

JOURNAL OF CHEMICAL PHYSICS 142 ( 19 ) 2015年05月21日

ISSN: 0021-9606

DOI
Anti dinuclear adducts of cycloheptatriene and cycloheptatrienyl ligands: Anti-[Pd2(μ-C7H8)(PPh3)4][BF4]2 and anti-[M2(μ-C7H7)(PPh3)4] [BF4] (M = Pd, Pt)

Yamamoto, K; Teramoto, M; Usui, K; Murahashi, T

JOURNAL OF ORGANOMETALLIC CHEMISTRY 784 97 - 102 2015年05月15日

ISSN: 0022-328X

DOI
Highly Selective Carboxylative Cyclization of Allenylmethylamines with Carbon Dioxide Using N-Heterocyclic Carbene-Silver(I) Catalysts

Yamashita, K; Hase, S; Kayaki, Y; Ikariya, T

ORGANIC LETTERS 17 ( 10 ) 2334 - 2337 2015年05月15日

ISSN: 1523-7060

DOI
Simultaneous Measurements of Super-Radiance at Multiple Wavelengths from Helium Excited States: I. Experiment

Nakajima, K; Harries, JR; Iwayama, H; Kuma, S; Miyamoto, Y; Nagasono, M; Ohae, C; Togashi, T; Yabas … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 84 ( 5 ) 2015年05月15日

ISSN: 0031-9015

DOI
Structural stability and energy-gap modulation through atomic protrusion in freestanding bilayer silicene

Sakai, Y; Oshiyama, A

PHYSICAL REVIEW B 91 ( 20 ) 2015年05月11日

ISSN: 2469-9950

DOI
Two-photon absorption induced by electric field gradient of optical near-field and its application to photolithography

Yamaguchi, M; Nobusada, K; Kawazoe, T; Yatsui, T

APPLIED PHYSICS LETTERS 106 ( 19 ) 2015年05月11日

ISSN: 0003-6951

DOI
Direct Synthesis of Vanadium Phthalocyanine and Its Electronic and Magnetic States in Mono layers and Multi layers on Ag(111)

Eguchi, K; Nakagawa, T; Takagi, Y; Yokoyama, T

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 18 ) 9805 - 9815 2015年05月07日

ISSN: 1932-7447

DOI
Spin wave isolator based on frequency displacement nonreciprocity in ferromagnetic bilayer

Shichi, S; Kanazawa, N; Matsuda, K; Okajima, S; Hasegawa, T; Okada, T; Goto, T; Takagi, H; Inoue, M

JOURNAL OF APPLIED PHYSICS 117 ( 17 ) 2015年05月07日

ISSN: 0021-8979

DOI
Two-band luminescence from an intrinsic defect in spherical and terraced MgO nanoparticles

Pikhitsa, PV; Kim, C; Chae, S; Shin, S; Jung, S; Kitaura, M; Kimura, S; Fukui, K; Choi, M

APPLIED PHYSICS LETTERS 106 ( 18 ) 2015年05月04日

ISSN: 0003-6951

DOI
Chimeras of Channelrhodopsin-1 and-2 from Chlamydomonas reinhardtii Exhibit Distinctive Light-induced Structural Changes from Channelrhodopsin-2

Inaguma, A; Tsukamoto, H; Kato, HE; Kimura, T; Ishizuka, T; Oishi, S; Yawo, H; Nureki, O; Furutani, … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 290 ( 18 ) 11623 - 11634 2015年05月01日

DOI
Synthesis and Photovoltaic Properties of Thieno[3,4-b]pyrazine or Dithieno[3′,2′:3,4;2",3":5,6]benzo[1,2-d]imidazole-Containing Conjugated Polymers

Keshtov, ML; Godovsky, DY; Khokhlov, AR; Mizobe, T; Fujita, H; Goto, E; Hiyoshi, J; Nakamura, S; Ka … 全著者表示

JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY 53 ( 9 ) 1067 - 1075 2015年05月01日

ISSN: 0887-624X

DOI
Uptake of aromatic compounds by DNA: Toward the environmental application of DNA for cleaning water

Fernández-Solis, C; Kuroda, Y; Zinchenko, A; Murata, S

COLLOIDS AND SURFACES B-BIOINTERFACES 129 146 - 153 2015年05月01日

ISSN: 0927-7765

DOI
Aromatic cluster mutations produce focal modulations of β-sheet structure

Biancalana, M; Makabe, K; Yan, SD; Koide, S

PROTEIN SCIENCE 24 ( 5 ) 841 - + 2015年05月

ISSN: 0961-8368

DOI
Fermi surface variation of Ce 4f-electrons in hybridization controlled heavy-fermion systems

Im, HJ; Ito, T; Miyazaki, H; Kimura, S; Kwon, YS; Saitoh, Y; Fujimori, SI; Yasui, A; Yamagami, H

SOLID STATE COMMUNICATIONS 209 45 - 48 2015年05月

ISSN: 0038-1098

DOI
Glycan structure and serum half-life of recombinant CTLA4Ig, an immunosuppressive agent, expressed in suspension-cultured rice cells with coexpression of human β1,4-galactosyltransferase and human CTLA4Ig

Kang, SH; Jung, HS; Lee, SJ; Park, CI; Lim, SM; Park, H; Kim, BS; Na, KH; Han, GJ; Bae, JW; Park, H … 全著者表示

GLYCOCONJUGATE JOURNAL 32 ( 3-4 ) 161 - 172 2015年05月

ISSN: 0282-0080

DOI
Modeling Molecular Systems at Extreme Pressure by an Extension of the Polarizable Continuum Model (PCM) Based on the Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method: Confined Electronic Excited States of Furan as a Test Case

Fukuda, R; Ehara, M; Cammi, R

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 11 ( 5 ) 2063 - 2076 2015年05月

ISSN: 1549-9618

DOI
Spin-current injection and detection in κ-(BEDT-TTF)2Cu[N(CN)2]Br

Qiu, Z; Uruichi, M; Hou, D; Uchida, K; Yamamoto, HM; Saitoh, E

AIP ADVANCES 5 ( 5 ) 2015年05月

ISSN: 2158-3226

DOI
Structural and dynamic views of GM1 ganglioside

Yagi-Utsumi, M; Kato, K

GLYCOCONJUGATE JOURNAL 32 ( 3-4 ) 105 - 112 2015年05月

ISSN: 0282-0080

DOI
Analysis of the Structure of Bombyx mori Silk Fibroin by NMR

Asakura, T; Okushita, K; Williamson, MP

MACROMOLECULES 48 ( 8 ) 2345 - 2357 2015年04月28日

ISSN: 0024-9297

DOI
Estimation of Relaxation Modulus of Polymer Melts by Molecular Dynamics Simulations: Application of Relaxation Mode Analysis

Iwaoka, N; Hagita, K; Takano, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 84 ( 4 ) 2015年04月15日

ISSN: 0031-9015

DOI
Formal Aryne/Carbon Monoxide Copolymerization To Form Aromatic Polyketones/Polyketals

Ito, S; Wang, WH; Nishimura, K; Nozaki, K

MACROMOLECULES 48 ( 7 ) 1959 - 1962 2015年04月14日

ISSN: 0024-9297

DOI
A divide-and-conquer method with approximate Fermi levels for parallel computations

Yoshikawa, T; Nakai, H

THEORETICAL CHEMISTRY ACCOUNTS 134 ( 5 ) 2015年04月11日

ISSN: 1432-881X

DOI
In Situ Soft X-ray Absorption Spectroscopy Applied to Solid-Liquid Heterogeneous Cyanopyrazine Hydration Reaction on Titanium Oxide Catalyst

Yuzawa, H; Nagasaka, M; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 14 ) 7738 - 7745 2015年04月09日

ISSN: 1932-7447

DOI
Mechanism of Intersystem Crossing of Thermally Activated Delayed Fluorescence Molecules

Ogiwara, T; Wakikawa, Y; Ikoma, T

JOURNAL OF PHYSICAL CHEMISTRY A 119 ( 14 ) 3415 - 3418 2015年04月09日

ISSN: 1089-5639

DOI
Dynamic heterogeneity in the folding/unfolding transitions of FiP35

Mori, T; Saito, S

JOURNAL OF CHEMICAL PHYSICS 142 ( 13 ) 2015年04月07日

ISSN: 0021-9606

DOI
Synthesis, Structures, and Electrochemical Properties of New Extensively Conjugated TTF

Ogi, D; Yoshimoto, S; Shirahata, T; Misaki, Y

CHEMISTRY LETTERS 44 ( 4 ) 554 - 556 2015年04月05日

ISSN: 0366-7022

DOI
Electronic Structural Basis for the Atomic Partial Charges of Planar Molecular Systems Derived from Out-of-Plane Dipole Derivatives

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY A 119 ( 13 ) 3277 - 3284 2015年04月02日

ISSN: 1089-5639

DOI
A two-step electron-driven proton transfer mechanism for the solution-phase nonradiative decay process of squaraine molecule

Ozawa, H; Yashiro, K; Yabushita, S

CHEMICAL PHYSICS LETTERS 625 78 - 83 2015年04月01日

ISSN: 0009-2614

DOI
Dissociation energy for O2 release from gas-phase iron oxide clusters measured by temperature-programmed desorption experiments

Koyama, K; Kudoh, S; Miyajima, K; Mafuné, F

CHEMICAL PHYSICS LETTERS 625 104 - 109 2015年04月01日

ISSN: 0009-2614

DOI
A Topography-Metrology Correlation in Nanoscale Probed by Near-Field Scanning Optical Microscopy

Hossain, MK; Kitajima, M; Imura, K; Okamoto, H

PLASMONICS 10 ( 2 ) 447 - 454 2015年04月

ISSN: 1557-1955

DOI
Development and application of in situ/operando soft X-ray transmission cells to aqueous solutions and catalytic and electrochemical reactions

Nagasaka, M; Yuzawa, H; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 200 293 - 310 2015年04月

ISSN: 0368-2048

DOI
Electrical resistivity response of amorphous carbon nitride thin films in various gas atmospheres

Tamura, N; Aono, M; Abe, H; Kitazawa, N; Watanabe, Y

JAPANESE JOURNAL OF APPLIED PHYSICS 54 ( 4 ) 2015年04月

ISSN: 0021-4922

DOI
Multinuclear metal-binding ability of a carotene

Horiuchi, S; Tachibana, Y; Yamashita, M; Yamamoto, K; Masai, K; Takase, K; Matsutani, T; Kawamata, … 全著者表示

NATURE COMMUNICATIONS 6 2015年04月

ISSN: 2041-1723

DOI
The roles of C-terminal residues on the thermal stability and local heme environment of cytochrome c' from the thermophilic purple sulfur bacterium Thermochromatium tepidum

Kimura, Y; Kasuga, S; Unno, M; Furusawa, T; Osoegawa, S; Sasaki, Y; Ohno, T; Wang-Otomo, ZY

PHOTOSYNTHESIS RESEARCH 124 ( 1 ) 19 - 29 2015年04月

ISSN: 0166-8595

DOI
Mapping of band-bending in organic pn-homojunctions

Yamashina, Y; Shinmura, Y; Ishiyama, N; Kaji, T; Hiramoto, M

JOURNAL OF APPLIED PHYSICS 117 ( 12 ) 2015年03月28日

ISSN: 0021-8979

DOI
Interface Dipole and Growth Mode of Partially and Fully Fluorinated Rubrene on Au(111) and Ag(111)

Anger, F; Glowatzki, H; Franco-Cañellas, A; Bürker, C; Gerlach, A; Schoz, R; Sakamoto, Y; Suzuki, T … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 12 ) 6769 - 6776 2015年03月26日

ISSN: 1932-7447

DOI
Large-scale real-space density-functional calculations: Moire-induced electron localization in graphene

Oshiyama, A; Iwata, JI; Uchida, K; Matsushita, YI

JOURNAL OF APPLIED PHYSICS 117 ( 11 ) 2015年03月21日

ISSN: 0021-8979

DOI
Effect of diffuseness of micelle boundary on the solute distribution upon solubilization

Mizuguchi, T; Ishizuka, R; Matubayasi, N

CHEMICAL PHYSICS LETTERS 624 19 - 23 2015年03月16日

ISSN: 0009-2614

DOI
Quantum chemical approach for condensed-phase thermochemistry (II): Applications to formation and combustion reactions of liquid organic molecules

Ishikawa, A; Nakai, H

CHEMICAL PHYSICS LETTERS 624 6 - 11 2015年03月16日

ISSN: 0009-2614

DOI
Fastener Effect on Uniaxial Chemical Pressure for One-Dimensional Spin-Crossover System, [FeII(NH2-trz)3](CnH2n+1SO3)2•xH2O: Magnetostructural Correlation and Ligand Field Analysis

Kamebuchi, H; Nakamoto, A; Yokoyama, T; Kojima, N

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 88 ( 3 ) 419 - 430 2015年03月15日

ISSN: 0009-2673

DOI
Locking Covalent Organic Frameworks with Hydrogen Bonds: General and Remarkable Effects on Crystalline Structure, Physical Properties, and Photochemical Activity

Chen, X; Addicoat, M; Jin, EQ; Zhai, LP; Xu, H; Huang, N; Guo, ZQ; Liu, LL; Irle, S; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 9 ) 3241 - 3247 2015年03月11日

ISSN: 0002-7863

DOI
Cascade exciton-pumping engines with manipulated speed and efficiency in light-harvesting porous π-network films

Gu, C; Huang, N; Xu, F; Gao, J; Jiang, DL

SCIENTIFIC REPORTS 5 2015年03月09日

ISSN: 2045-2322

DOI
Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60- Anions

Konarev, DV; Troyanov, SI; Kuzmin, AV; Nakano, Y; Khasanov, SS; Otsuka, A; Yamochi, H; Saito, G; Ly … 全著者表示

ORGANOMETALLICS 34 ( 5 ) 879 - 889 2015年03月09日

ISSN: 0276-7333

DOI
Density Matrix Renormalization Group for ab initio Calculations and Associated Dynamic Correlation Methods: A Review of Theory and Applications

Yanai, T; Kurashige, Y; Mizukami, W; Chalupsky, J; Lan, TN; Saitow, M

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115 ( 5 ) 283 - 299 2015年03月05日

ISSN: 0020-7608

DOI
Large-Scale Two-Component Relativistic Quantum-Chemical Theory: Combination of the Infinite-Order Douglas-Kroll-Hess Method with the Local Unitary Transformation Scheme and the Divide-and-Conquer Method

Seino, J; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115 ( 5 ) 253 - 257 2015年03月05日

ISSN: 0020-7608

DOI
Local Response Dispersion Method: A Density-Dependent Dispersion Correction for Density Functional Theory

Ikabata, Y; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115 ( 5 ) 309 - 324 2015年03月05日

ISSN: 0020-7608

DOI
Massively Parallel MP2-F12 Calculations on the K Computer

Ohnishi, Y; Ishimura, K; Ten-no, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115 ( 5 ) 333 - 341 2015年03月05日

ISSN: 0020-7608

DOI
Organic-Inorganic Hybrid Lead Iodide Perovskite Featuring Zero Dipole Moment Guanidinium Cations: A Theoretical Analysis

Giorgi, G; Fujisawa, JI; Segawa, H; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 9 ) 4694 - 4701 2015年03月05日

ISSN: 1932-7447

DOI
Excited-State Relaxation of Hydrated Thymine and Thymidine Measured by Liquid-Jet Photoelectron Spectroscopy: Experiment and Simulation

Buchner, F; Nakayama, A; Yamazaki, S; Ritze, HH; Lübcke, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 8 ) 2931 - 2938 2015年03月04日

ISSN: 0002-7863

DOI
Dynamics of proton transfer reactions of model base pairs in the ground and excited states: Revisited

Fuke, K; Ishikawa, H

CHEMICAL PHYSICS LETTERS 623 117 - 129 2015年03月02日

ISSN: 0009-2614

DOI
Mixed Valency in Quadruple Hydrogen-Bonded Dimers of Bis(biimidazolate)dirhodium Complexes

Jin-Long; Matsuda, Y; Uemura, K; Ebihara, M

INORGANIC CHEMISTRY 54 ( 5 ) 2331 - 2338 2015年03月02日

ISSN: 0020-1669

DOI
Structure Determination of [Au18(SR)14]

Das, A; Liu, C; Byun, HY; Nobusada, K; Zhao, S; Rosi, N; Jin, RC

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 10 ) 3140 - 3144 2015年03月02日

ISSN: 1433-7851

DOI
Theoretical prediction and experimental verification on enantioselectivity of haloacid dehalogenase L-DEX YL with chloropropionate

Kondo, H; Fujimoto, KJ; Tanaka, S; Deki, H; Nakamura, T

CHEMICAL PHYSICS LETTERS 623 101 - 107 2015年03月02日

ISSN: 0009-2614

DOI
Theoretical studies of the damage- free S1 structure of the CaMn4O5 cluster in oxygen-evolving complex of photosystem II

Shoji, M; Isobe, H; Yamanaka, S; Suga, M; Akita, F; Shen, JR; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 623 1 - 7 2015年03月02日

ISSN: 0009-2614

DOI
Two-Dimensional Covalent Organic Frameworks for Carbon Dioxide Capture through Channel-Wall Functionalization

Huang, N; Chen, X; Krishna, R; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 10 ) 2986 - 2990 2015年03月02日

ISSN: 1433-7851

DOI
Application of "Boomerang" Linear Polystyrene-Stabilized Pd Nanoparticles to a Series of C-C Coupling Reactions in Water

Ohtaka, A; Okagaki, T; Hamasaka, G; Uozumi, Y; Shinagawa, T; Shimomura, O; Nomura, R

CATALYSTS 5 ( 1 ) 106 - 118 2015年03月

DOI
Local Structure Analysis of Electrochemical Reaction by Soft X-ray Absorption Spectroscopy

Nagasaka, M; Ohigashi, T; Kosugi, N

BUNSEKI KAGAKU 64 ( 3 ) 163 - 172 2015年03月

ISSN: 0525-1931

DOI
Photoluminescence studies on energy transfer processes in cerium-doped Gd3Al2Ga3O12 crystals

Kitaura, M; Sato, A; Kamada, K; Kurosawa, S; Ohnishi, A; Sasaki, M; Hara, K

OPTICAL MATERIALS 41 45 - 48 2015年03月

ISSN: 0925-3467

DOI
Structural basis for amyloidogenic peptide recognition by sorLA

Kitago, Y; Nagae, M; Nakata, Z; Yagi-Utsumi, M; Takagi-Niidome, S; Mihara, E; Nogi, T; Kato, K; Tak … 全著者表示

NATURE STRUCTURAL & MOLECULAR BIOLOGY 22 ( 3 ) 199 - 206 2015年03月

ISSN: 1545-9993

DOI
UV cathodoluminescence of Gd3+ doped and Gd3+-Pr3+ co-doped YAlO3 epitaxial thin films

Shimizu, Y; Ueda, K; Takashima, H; Inaguma, Y

PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE 212 ( 3 ) 703 - 706 2015年03月

ISSN: 1862-6300

DOI
Free-complement local-Schrodinger-equation method for solving the Schrodinger equation of atoms and molecules: Basic theories and features

Nakatsuji, H; Nakashima, H

JOURNAL OF CHEMICAL PHYSICS 142 ( 8 ) 2015年02月28日

ISSN: 0021-9606

DOI
Transient charge dynamics in argon-cluster nanoplasmas created by intense extreme-ultraviolet free-electron-laser irradiation

Iwayama, H; Harries, JR; Shigemasa, E

PHYSICAL REVIEW A 91 ( 2 ) 2015年02月27日

ISSN: 1050-2947

DOI
S=1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain in a zinc-verdazyl complex

Yamaguchi, H; Shinpuku, Y; Shimokawa, T; Iwase, K; Ono, T; Kono, Y; Kittaka, S; Sakakibara, T; Hoso … 全著者表示

PHYSICAL REVIEW B 91 ( 8 ) 2015年02月20日

ISSN: 2469-9950

DOI
Amide I Vibrational Properties Affected by Hydrogen Bonding Out-of-Plane of the Peptide Group

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 6 ( 4 ) 727 - 733 2015年02月19日

ISSN: 1948-7185

DOI
Local Energy Gap Opening Induced by Hemin Dimerization in Aqueous Solution

Golnak, R; Xiao, J; Atak, K; Khan, M; Suljoti, E; Aziz, EF

JOURNAL OF PHYSICAL CHEMISTRY B 119 ( 7 ) 3058 - 3062 2015年02月19日

ISSN: 1520-6106

DOI
High-Speed Angle-Resolved Imaging of a Single Gold Nanorod with Microsecond Temporal Resolution and One-Degree Angle Precision

Enoki, S; Iino, R; Niitani, Y; Minagawa, Y; Tomishige, M; Noji, H

ANALYTICAL CHEMISTRY 87 ( 4 ) 2079 - 2086 2015年02月17日

ISSN: 0003-2700

DOI
Hydration effects on enzyme-substrate complex of nylon oligomer hydrolase: inter-fragment interaction energy study by the fragment molecular orbital method

Ando, H; Shigeta, Y; Baba, T; Watanabe, C; Okiyama, Y; Mochizuki, Y; Nakano, M

MOLECULAR PHYSICS 113 ( 3-4 ) 319 - 326 2015年02月16日

ISSN: 0026-8976

DOI
Modulation of Benzene or Naphthalene Binding to Palladium Cluster Sites by the Backside-Ligand Effect

Ishikawa, Y; Kimura, S; Takase, K; Yamamoto, K; Kurashige, Y; Yanai, T; Murahashi, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 8 ) 2482 - 2486 2015年02月16日

ISSN: 1433-7851

DOI
Substitution effects on optical properties of iminonitroxide- substituted iminonitroxide diradical

Nakamura, R; Shigeta, Y; Okuno, K; Hasegawa, M; Fukushima, M; Suzuki, S; Kozaki, M; Okada, K; Nakan … 全著者表示

MOLECULAR PHYSICS 113 ( 3-4 ) 267 - 273 2015年02月16日

ISSN: 0026-8976

DOI
Energetics, Electron States, and Magnetization in Nearly Zigzag-Edged Graphene Nano-Ribbons

Suda, S; Oshiyama, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 84 ( 2 ) 2015年02月15日

ISSN: 0031-9015

DOI
Local Response Dispersion Method in Periodic Systems: Implementation and Assessment

Ikabata, Y; Tsukamoto, Y; Imamura, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 36 ( 5 ) 303 - 311 2015年02月15日

ISSN: 0192-8651

DOI
Light-induced superconductivity using a photoactive electric double layer

Suda, M; Kato, R; Yamamoto, HM

SCIENCE 347 ( 6223 ) 743 - 746 2015年02月13日

ISSN: 0036-8075

DOI
Correlation between Excited-State Intramolecular Proton-Transfer and Singlet-Oxygen Quenching Activities in 1-(Acylamino)anthraquinones

Nagaoka, S; Endo, H; Ohara, K; Nagashima, U

JOURNAL OF PHYSICAL CHEMISTRY B 119 ( 6 ) 2525 - 2532 2015年02月12日

ISSN: 1520-6106

DOI
Theoretical Study on the Size Dependence of Excited State Proton Transfer in 1-Naphthol-Ammonia Clusters

Shimizu, T; Yoshikawa, S; Hashimoto, K; Miyazaki, M; Fujii, M

JOURNAL OF PHYSICAL CHEMISTRY B 119 ( 6 ) 2415 - 2424 2015年02月12日

ISSN: 1520-6106

DOI
Tetracyclopenta[def,jkl,pqr,vwx]tetraphenylene: A Potential Tetraradicaloid Hydrocarbon

Nobusue, S; Miyoshi, H; Shimizu, A; Hisaki, I; Fukuda, K; Nakano, M; Tobe, Y

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 7 ) 2090 - 2094 2015年02月09日

ISSN: 1433-7851

DOI
Diradical character dependence of third-harmonic generation spectra in open-shell singlet systems

Nakano, M; Champagne, B

THEORETICAL CHEMISTRY ACCOUNTS 134 ( 3 ) 2015年02月08日

ISSN: 1432-881X

DOI
Why does deuterium substitution lead to the contraction of X•••π distance? Origin of the reverse Ubbelohde effect in XH•••π interaction

Udagawa, T; Tachikawa, M

THEORETICAL CHEMISTRY ACCOUNTS 134 ( 3 ) 2015年02月08日

ISSN: 1432-881X

DOI
HXeI and HXeH in Ar, Kr, and Xe matrices: Experiment and simulation

Zhu, C; Niimi, K; Taketsugu, T; Tsuge, M; Nakayama, A; Khriachtchev, L

JOURNAL OF CHEMICAL PHYSICS 142 ( 5 ) 2015年02月07日

ISSN: 0021-9606

DOI
A rational strategy for the realization of chain-growth supramolecular polymerization

Kang, J; Miyajima, D; Mori, T; Inoue, Y; Itoh, Y; Aida, T

SCIENCE 347 ( 6222 ) 646 - 651 2015年02月06日

ISSN: 0036-8075

DOI
Electrochemically active, crystalline, mesoporous covalent organic frameworks on carbon nanotubes for synergistic lithium-ion battery energy storage

Xu, F; Jin, SB; Zhong, H; Wu, DC; Yang, XQ; Chen, X; Wei, H; Fu, RW; Jiang, DL

SCIENTIFIC REPORTS 5 2015年02月04日

ISSN: 2045-2322

DOI
Quantum Mechanical Molecular Interactions for Calculating the Excitation Energy in Molecular Environments: A First-Order Interacting Space Approach

Hasegawa, JY; Yanai, K; Ishimura, K

CHEMPHYSCHEM 16 ( 2 ) 305 - 311 2015年02月02日

ISSN: 1439-4235

DOI
Ultraviolet photoelectron spectra of Ce2@C80 and La2@C80

Miyazaki, T; Okita, S; Ohta, T; Yagi, H; Sumii, R; Okimoto, H; Ito, Y; Shinohara, H; Hino, S

CHEMICAL PHYSICS 447 71 - 75 2015年02月02日

ISSN: 0301-0104

DOI
Controlling the carrier-envelope phase of single-cycle mid-infrared pulses with two-color filamentation

Nomura, Y; Wang, YT; Yabushita, A; Luo, CW; Fuji, T

OPTICS LETTERS 40 ( 3 ) 423 - 426 2015年02月01日

ISSN: 0146-9592

DOI
2H NMR pure-quadrupole spectra for paramagnetic solids

Iijima, T; Shimizu, T; Nishimura, K

JOURNAL OF MAGNETIC RESONANCE 251 57 - 64 2015年02月

ISSN: 1090-7807

DOI
Alkyl-π engineering in state control toward versatile optoelectronic soft materials

Lu, FN; Nakanishi, T

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS 16 ( 1 ) 2015年02月

ISSN: 1468-6996

DOI
Design of Mononuclear Ruthenium Catalysts for Low-Overpotential Water Oxidation

Okamura, M; Masaoka, S

CHEMISTRY-AN ASIAN JOURNAL 10 ( 2 ) 306 - 315 2015年02月

ISSN: 1861-4728

DOI
Electron-spin resonance (ESR) characterization of quintet spin-state bis-nitroxide-bearing cyclopentane-1,3-diyl diradicals

Omokawa, Y; Hatano, S; Abe, M

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 28 ( 2 ) 116 - 120 2015年02月

ISSN: 0894-3230

DOI
Electronic Structure Reconstruction across the Antiferromagnetic Transition in TaFe1.23Te3 Spin Ladder

Xu, M; Wang, LM; Peng, R; Ge, QQ; Chen, F; Ye, ZR; Zhang, Y; Chen, SD; Xia, M; Liu, RH; Arita, M; S … 全著者表示

CHINESE PHYSICS LETTERS 32 ( 2 ) 2015年02月

ISSN: 0256-307X

DOI
Emerging Structural Insights into Glycoprotein Quality Control Coupled with N-Glycan Processing in the Endoplasmic Reticulum

Satoh, T; Yamaguchi, T; Kato, K

MOLECULES 20 ( 2 ) 2475 - 2491 2015年02月

ISSN: 1420-3049

DOI
Optical properties and electronic structure of Lu2SiO5 crystals doped with cerium ions: Thermally-activated energy transfer from host to activator

Kitaura, M; Tanaka, S; Itoh, M

JOURNAL OF LUMINESCENCE 158 226 - 230 2015年02月

ISSN: 0022-2313

DOI
Computational study to evaluate the birefringence of uniaxially oriented film of cellulose triacetate

Hayakawa, D; Ueda, K

CARBOHYDRATE RESEARCH 402 146 - 151 2015年01月30日

ISSN: 0008-6215

DOI
Linear-Scaling Self-Consistent Field Calculations Based on Divide-and-Conquer Method Using Resolution-of-Identity Approximation on Graphical Processing Units

Yoshikawa, T; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 36 ( 3 ) 164 - 170 2015年01月30日

ISSN: 0192-8651

DOI
Theoretical Study on Carbon Carbon Short Contact of ∼2.3 Å: Intermediate State between Nonbonding and σ-Covalent Bonding

Hatakeyama, M; Ogata, K; Ishida, T; Kitamura, K; Nakamura, S

JOURNAL OF PHYSICAL CHEMISTRY A 119 ( 4 ) 781 - 785 2015年01月29日

ISSN: 1089-5639

DOI
A Critical Size for Emergence of Nonbulk Electronic and Geometric Structures in Dodecanethiolate-Protected Au Clusters

Negishi, Y; Nakazaki, T; Maloa, S; Takano, S; Niihori, Y; Kurashige, W; Yamazoe, S; Tsukuda, T; Häk … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 3 ) 1206 - 1212 2015年01月28日

ISSN: 0002-7863

DOI
η6-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes

Kubota, N; Segawa, Y; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 137 ( 3 ) 1356 - 1361 2015年01月28日

ISSN: 0002-7863

DOI
Theoretical Study on the Relationship between Diradical Character and Second Hyperpolarizabilities of Four-Membered-Ring Diradicals Involving Heavy Main-Group Elements

Matsui, H; Fukuda, K; Takamuku, S; Sekiguchi, A; Nakano, M

CHEMISTRY-A EUROPEAN JOURNAL 21 ( 5 ) 2157 - 2164 2015年01月26日

ISSN: 0947-6539

DOI
Impaired O-Linked N-Acetylglucosaminylation in the Endoplasmic Reticulum by Mutated Epidermal Growth Factor (EGF) Domain-specific O-Linked N-Acetylglucosamine Transferase Found in Adams-Oliver Syndrome

Ogawa, M; Sawaguchi, S; Kawai, T; Nadano, D; Matsuda, T; Yagi, H; Kato, K; Furukawa, K; Okajima, T

JOURNAL OF BIOLOGICAL CHEMISTRY 290 ( 4 ) 2137 - 2149 2015年01月23日

DOI
Reactivity index for Diels-Alder cycloadditions to large polycyclic aromatic hydrocarbons using vibronic coupling density

Haruta, N; Sato, T; Tanaka, K

TETRAHEDRON LETTERS 56 ( 4 ) 590 - 594 2015年01月21日

ISSN: 0040-4039

DOI
Short-range stabilizing potential for computing energies and lifetimes of temporary anions with extrapolation methods

Sommerfeld, T; Ehara, M

JOURNAL OF CHEMICAL PHYSICS 142 ( 3 ) 2015年01月21日

ISSN: 0021-9606

DOI
Key Chemical Factors of Arginine Finger Catalysis of F1-ATPase Clarified by an Unnatural Amino Acid Mutation

Yukawa, A; Iino, R; Watanabe, R; Hayashi, S; Noji, H

BIOCHEMISTRY 54 ( 2 ) 472 - 480 2015年01月20日

ISSN: 0006-2960

DOI
Fluorescence Enhancement of Covalently Linked 1-Cyano-1,2-diphenylethene Chromophores with Naphthalene-1,8-diyl Linker Units: Analysis Based on Kinetic Constants

Hirose, T; Tsunoi, Y; Fujimori, Y; Matsuda, K

CHEMISTRY-A EUROPEAN JOURNAL 21 ( 4 ) 1637 - 1644 2015年01月19日

ISSN: 0947-6539

DOI
Effect of Benzimidazole Configuration in Polybenzimidazole Chain on Interaction with Phosphoric Acid: A DFT Study

Shirata, K; Kawauchi, S

JOURNAL OF PHYSICAL CHEMISTRY B 119 ( 2 ) 592 - 603 2015年01月15日

ISSN: 1520-6106

DOI
High-rate performance of a bacterial iron-oxide electrode material for lithium-ion battery

Sakuma, R; Hashimoto, H; Kobayashi, G; Fujii, T; Nakanishi, M; Kanno, R; Takano, M; Takada, J

MATERIALS LETTERS 139 414 - 417 2015年01月15日

ISSN: 0167-577X

DOI
Long-Distance Sequential Charge Separation at Micellar Interface Mediated by Dynamic Charge Transporter: A Magnetic Field Effect Study

Miura, T; Maeda, K; Murai, H; Ikoma, T

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 6 ( 2 ) 267 - 271 2015年01月15日

ISSN: 1948-7185

DOI
Theoretical Study on the Enhancement of the Second Hyperpolarizabilities of Si-, Ge-Disubstituted Quinodimethanes: Synergy Effects of Open-Shell Nature and Intramolecular Charge Transfer

Fukuda, K; Nozawa, T; Yotsuyanagi, H; Ichinohe, M; Sekiguchi, A; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 2 ) 1188 - 1193 2015年01月15日

ISSN: 1932-7447

DOI
Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals

Cho, D; Ko, KC; Ikabata, Y; Wakayama, K; Yoshikawa, T; Nakai, H; Lee, JY

JOURNAL OF CHEMICAL PHYSICS 142 ( 2 ) 2015年01月14日

ISSN: 0021-9606

DOI
Intermolecular Packing in B. mori Silk Fibroin: Multinuclear NMR Study of the Model Peptide (Ala-Gly)15 Defines a Heterogeneous Antiparallel Antipolar Mode of Assembly in the Silk II Form

Asakura, T; Ohata, T; Kametani, S; Okushita, K; Yazawa, K; Nishiyama, Y; Nishimura, K; Aoki, A; Suz … 全著者表示

MACROMOLECULES 48 ( 1 ) 28 - 36 2015年01月13日

ISSN: 0024-9297

DOI
Quantum Chemical Study of the Reaction of 3-(Trimethylsilyl)cyclohexa-1,4-dienes with B(C6F5)3

Sakata, K; Fujimoto, H

ORGANOMETALLICS 34 ( 1 ) 236 - 241 2015年01月12日

ISSN: 0276-7333

DOI
Synthesis, Structures, and Properties of Crystalline Salts with Radical Anions of Metal-Containing and Metal-Free Phthalocyanines

Konarev, DV; Kuzmin, AV; Faraonov, MA; Ishikawa, M; Khasanov, SS; Nakano, Y; Otsuka, A; Yamochi, H; … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 21 ( 3 ) 1014 - 1028 2015年01月12日

ISSN: 0947-6539

DOI
Theoretical Molecular Design of Heteroacenes for Singlet Fission: Tuning the Diradical Character by Modifying z-Conjugation Length and Aromaticity

Ito, S; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 119 ( 1 ) 148 - 157 2015年01月08日

ISSN: 1932-7447

DOI
Nanoscale Identification of Extracellular Organic Substances at the Microbe Mineral Interface by Scanning Transmission X-ray Microscopy

Mitsunobu, S; Zhu, M; Takeichi, Y; Ohigashi, T; Suga, H; Makita, H; Sakata, M; Ono, K; Mase, K; Tak … 全著者表示

CHEMISTRY LETTERS 44 ( 1 ) 91 - 93 2015年01月05日

ISSN: 0366-7022

DOI
A comprehensive search of topologically distinct local minimum structures of protonated water octamer and the classification of O-H topological types

Akase, D; Teramae, H; Aida, M

CHEMICAL PHYSICS LETTERS 618 51 - 56 2015年01月02日

ISSN: 0009-2614

DOI
Linearity condition for orbital energies in density functional theory (V): Extension to excited state calculations

Imamura, Y; Suzuki, K; Iizuka, T; Nakai, H

CHEMICAL PHYSICS LETTERS 618 30 - 36 2015年01月02日

ISSN: 0009-2614

DOI
Proton-Induced Generation of Remote N-Heterocyclic Carbene-Ru Complexes

Fukushima, T; Fukuda, R; Kobayashi, K; Caramori, GF; Frenking, G; Ehara, M; Tanaka, K

CHEMISTRY-A EUROPEAN JOURNAL 21 ( 1 ) 106 - 110 2015年01月02日

ISSN: 0947-6539

DOI
Redox-dependent conformational transition of catalytic domain of protein disulfide isomerase indicated by crystal structure-based molecular

Inagaki, K; Satoh, T; Itoh, SG; Okumura, H; Kato, K

CHEMICAL PHYSICS LETTERS 618 203 - 207 2015年01月02日

ISSN: 0009-2614

DOI
Thiophene-Based, Radial π-Conjugation: Synthesis, Structure, and Photophysical Properties of Cyclo-1,4-phenylene-2′,5′-thienylenes

Ito, H; Mitamura, Y; Segawa, Y; Itami, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 54 ( 1 ) 159 - 163 2015年01月02日

ISSN: 1433-7851

DOI
A practical synthesis of enantiopure 4,4,4-trifluoro-allo-threonine from an easily available fluorinated building block

Cho, J; Irie, S; Iwahashi, N; Itoh, Y; Saigo, K; Ishida, Y

TETRAHEDRON LETTERS 56 ( 1 ) 127 - 131 2015年01月01日

ISSN: 0040-4039

DOI
Synthesis, structures, and properties of lantern-type dinuclear ruthenium(II, III) complexes cis-[Ru2{3,5-(CF3)2- pf}2(O2CMe)2Cl] and [Ru2{3,5-(CF3)2-pf}3(O2CMe)Cl], 3,5-(CF3)2-pf- = N,N′-bis [3,5-bis(trifluoromethyl)phenyl]formamidinate anion

Harada, Y; Ikeue, T; Ide, Y; Kimura, Y; Hiromitsu, I; Yoshioka, D; Mikuriya, M; Kataoka, Y; Handa, M

INORGANICA CHIMICA ACTA 424 186 - 193 2015年01月01日

ISSN: 0020-1693

DOI
THEORETICAL STUDY ON RADICAL TRIFLUOROMETHYLATION OF SILYL ENOL ETHERS ACCELERATED VIA COMPLEXATION WITH DIALICYLZINC

Kawauchi, S; Hayashi, Y; Tomita, Y; Hashimoto, R; Honda, K; Itoh, Y; Mikami, K

HETEROCYCLES 90 ( 2 ) 907 - 917 2015年01月01日

ISSN: 0385-5414

DOI
A ferromagnetically coupled Fe42 cyanide-bridged nanocage

Kang, S; Zheng, H; Liu, T; Hamachi, K; Kanegawa, S; Sugimoto, K; Shiota, Y; Hayami, S; Mito, M; Nak … 全著者表示

NATURE COMMUNICATIONS 6 2015年01月

ISSN: 2041-1723

DOI
A new biological function of heme as a signaling molecule

Muraki, N; Kitatsuji, C; Aono, S

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES 19 ( 1-3 ) 9 - 20 2015年01月

ISSN: 1088-4246

DOI
Development of Ultrafast Laser Oscillators Based on Thulium-Doped ZBLAN Fibers

Nomura, Y; Nishio, M; Kawato, S; Fuji, T

IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS 21 ( 1 ) 2015年01月

ISSN: 1077-260X

DOI
Infrared spectroscopic studies on the V-ATPase

Kandori, H; Furutani, Y; Murata, T

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1847 ( 1 ) 134 - 141 2015年01月

ISSN: 0005-2728

DOI
Investigation of the Dynamic Behavior of Bisumanenyl

Shrestha, BB; Karanjit, S; Higashibayashi, S; Amaya, T; Hirao, T; Sakurai, H

ASIAN JOURNAL OF ORGANIC CHEMISTRY 4 ( 1 ) 62 - 68 2015年01月

ISSN: 2193-5807

DOI
Scalar Relativistic Calculations of Hyperfine Coupling Constants Using Ab lnitio Density Matrix Renormalization Group Method in Combination with Third-Order Douglas-Kroll-Hess Transformation: Case Studies on 4d Transition Metals

Lan, TN; Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 11 ( 1 ) 73 - 81 2015年01月

ISSN: 1549-9618

DOI
Scintillation properties of CdF2 crystal

Yanagida, T; Fujimoto, Y; Koshimizu, M; Fukuda, K

JOURNAL OF LUMINESCENCE 157 293 - 296 2015年01月

ISSN: 0022-2313

DOI
A light-emitting mechanism for organic light-emitting diodes: molecular design for inverted singlet-triplet structure and symmetry-controlled thermally activated delayed fluorescence

Sato, T; Uejima, M; Tanaka, K; Kaji, H; Adachi, C

JOURNAL OF MATERIALS CHEMISTRY C 3 ( 4 ) 870 - 878 2015年

ISSN: 2050-7526

DOI
A palladium NNC-pincer complex: an efficient catalyst for allylic arylation at parts per billion levels

Hamasaka, G; Sakurai, F; Uozumi, Y

CHEMICAL COMMUNICATIONS 51 ( 18 ) 3886 - 3888 2015年

ISSN: 1359-7345

DOI
A self-assembled, π-stacked complex as a finely-tunable magnetic aligner for biomolecular NMR applications

Sato, S; Takeuchi, R; Yagi-Utsumi, M; Yamaguchi, T; Yamaguchi, Y; Kato, K; Fujita, M

CHEMICAL COMMUNICATIONS 51 ( 13 ) 2540 - 2543 2015年

ISSN: 1359-7345

DOI
A π-electronic covalent organic framework catalyst: π-walls as catalytic beds for Diels-Alder reactions under ambient conditions

Wu, Y; Xu, H; Chen, X; Gao, J; Jiang, DL

CHEMICAL COMMUNICATIONS 51 ( 50 ) 10096 - 10098 2015年

ISSN: 1359-7345

DOI
Acid/base-regulated reversible electron transfer disproportionation of N-N linked bicarbazole and biacridine derivatives

Pandit, P; Yamamoto, K; Nakamura, T; Nishimura, K; Kurashige, Y; Yanai, T; Nakamura, G; Masaoka, S; … 全著者表示

CHEMICAL SCIENCE 6 ( 7 ) 4160 - 4173 2015年

ISSN: 2041-6520

DOI
Anionic coordination complexes of C60 and C70 with cyclopentadienyl and pentamethylcyclopentadienyl molybdenum dicarbonyl

Konarev, DV; Kuzmin, AV; Troyanov, SI; Nakano, Y; Khasanov, SS; Otsuka, A; Yamochi, H; Saito, G; Ly … 全著者表示

DALTON TRANSACTIONS 44 ( 20 ) 9672 - 9681 2015年

ISSN: 1477-9226

DOI
Biocompatible organic charge transfer complex nanoparticles based on a semi-crystalline cellulose template

Nagai, A; Miller, JB; Du, J; Kos, P; Stefan, MC; Siegwart, DJ

CHEMICAL COMMUNICATIONS 51 ( 59 ) 11868 - 11871 2015年

ISSN: 1359-7345

DOI
Bronsted acid-catalyzed selective C-C bond cleavage of 1,3-diketones: a facile synthesis of 4(3H)-quinazolinones in aqueous ethyl lactate

Shen, GS; Zhou, HF; Du, P; Liu, SS; Zou, K; Uozumi, Y

RSC ADVANCES 5 ( 104 ) 85646 - 85651 2015年

DOI
Charge transfer to solvent dynamics in iodide aqueous solution studied at ionization threshold

Kothe, A; Wilke, M; Moguilevski, A; Engel, N; Winter, B; Kiyan, IY; Aziz, EF

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 3 ) 1918 - 1924 2015年

ISSN: 1463-9076

DOI
Co(III) protoporphyrin IX chloride in solution: spin-state and metal coordination revealed from resonant inelastic X-ray scattering and electronic structure calculations

Atak, K; Golnak, R; Xiao, J; Pflüger, M; Brandenburg, T; Winter, B; Aziz, EF

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 5 ) 3409 - 3414 2015年

ISSN: 1463-9076

DOI
Continuous-flow hydrogenation of olefins and nitrobenzenes catalyzed by platinum nanoparticles dispersed in an amphiphilic polymer

Osako, T; Torii, K; Tazawa, A; Uozumi, Y

RSC ADVANCES 5 ( 57 ) 45760 - 45766 2015年

ISSN: 2046-2069

DOI
Design of a Bronsted acid with two different acidic sites: synthesis and application of aryl phosphinic acid-phosphoric acid as a Bronsted acid catalyst

Momiyama, N; Narumi, T; Terada, M

CHEMICAL COMMUNICATIONS 51 ( 95 ) 16976 - 16979 2015年

ISSN: 1359-7345

DOI
Development of an aquacatalytic system based on the formation of vesicles of an amphiphilic palladium NNC-pincer complex

Sakurai, F; Hamasaka, G; Uozumi, Y

DALTON TRANSACTIONS 44 ( 17 ) 7828 - 7834 2015年

ISSN: 1477-9226

DOI
Diradical character and nonlinear optical properties of buckyferrocenes: focusing on the use of suitably modified fullerene fragments

Muhammad, S; Ito, S; Nakano, M; Kishi, R; Yoneda, K; Kitagawa, Y; Shkir, M; Irfan, A; Chaudhry, AR; … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 8 ) 5805 - 5816 2015年

ISSN: 1463-9076

DOI
Effect of trimetallization in thiolate-protected Au24-nCunPd clusters

Sharma, S; Kurashige, W; Nobusada, K; Negishi, Y

NANOSCALE 7 ( 24 ) 10606 - 10612 2015年

ISSN: 2040-3364

DOI
Ferromagnetic ordering in the organic radical cation salt BBDTA•Au(CN)2 at 8.2 K

Fujita, W

DALTON TRANSACTIONS 44 ( 3 ) 903 - 907 2015年

ISSN: 1477-9226

DOI
Fluorination-dependent molecular orbital occupancy in ring-shaped perfluorocarbons

Brandenburg, T; Petit, T; Neubauer, A; Atak, K; Nagasaka, M; Golnak, R; Kosugi, N; Aziz, EF

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 28 ) 18337 - 18343 2015年

ISSN: 1463-9076

DOI
Formation and nitrile hydrogenation performance of Ru nanoparticles on a K-doped Al2O3 surface

Muratsugu, S; Kityakarn, S; Wang, F; Ishiguro, N; Kamachi, T; Yoshizawa, K; Sekizawa, O; Uruga, T; … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 38 ) 24791 - 24802 2015年

ISSN: 1463-9076

DOI
Fundamental frequency from classical molecular dynamics

Yamada, T; Aida, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 5 ) 3227 - 3240 2015年

ISSN: 1463-9076

DOI
Local optical responses of plasmon resonances visualised by near-field optical imaging

Okamoto, H; Narushima, T; Nishiyama, Y; Imura, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 9 ) 6192 - 6206 2015年

ISSN: 1463-9076

DOI
Low temperature hydrodeoxygenation of phenols under ambient hydrogen pressure to form cyclohexanes catalysed by Pt nanoparticles supported on H-ZSM-5

Ohta, H; Yamamoto, K; Hayashi, M; Hamasaka, G; Uozumi, Y; Watanabe, Y

CHEMICAL COMMUNICATIONS 51 ( 95 ) 17000 - 17003 2015年

ISSN: 1359-7345

DOI
Matrix site effects on vibrational frequencies of HXeCCH, HXeBr, and HXeI: a hybrid quantum-classical simulation

Niimi, K; Taketsugu, T; Nakayama, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 12 ) 7872 - 7880 2015年

ISSN: 1463-9076

DOI
Methane activation on Fe- and FeO-embedded graphene and boron nitride sheet: role of atomic defects in catalytic activities

Impeng, S; Khongpracha, P; Sirijaraensre, J; Jansang, B; Ehara, M; Limtrakul, J

RSC ADVANCES 5 ( 119 ) 97918 - 97927 2015年

ISSN: 2046-2069

DOI
Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree-Fock and density functional theory via linear response

Yanai, T; Fann, GI; Beylkin, G; Harrison, RJ

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 47 ) 31405 - 31416 2015年

ISSN: 1463-9076

DOI
New insights into metal ion-crown ether complexes revealed by SEIRA spectroscopy

Inokuchi, Y; Ebata, T; Ikeda, T; Haino, T; Kimura, T; Guo, H; Furutani, Y

NEW JOURNAL OF CHEMISTRY 39 ( 11 ) 8673 - 8680 2015年

ISSN: 1144-0546

DOI
Nitrosyl and carbene iron complexes bearing a κ3-SNS thioamide pincer type ligand

Suzuki, T; Matsumoto, J; Kajita, Y; Inomata, T; Ozawa, T; Masuda, H

DALTON TRANSACTIONS 44 ( 3 ) 1017 - 1022 2015年

ISSN: 1477-9226

DOI
Nucleobases tagged to gold nanoclusters cause a mechanistic crossover in the oxidation of CO

Rai, S; Ehara, M; Priyakumar, UD

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 37 ) 24275 - 24281 2015年

ISSN: 1463-9076

DOI
Porous frameworks constructed by non-covalent linking of substitution-inert metal complexes

Itoh, T; Kondo, M; Sakamoto, H; Wakabayashi, K; Kanaike, M; Itami, K; Masaoka, S

DALTON TRANSACTIONS 44 ( 34 ) 15334 - 15342 2015年

ISSN: 1477-9226

DOI
Quaternary ammonium hydroxide as a metal-free and halogen-free catalyst for the synthesis of cyclic carbonates from epoxides and carbon dioxide

Ema, T; Fukuhara, K; Sakai, T; Ohbo, M; Bai, FQ; Hasegawa, JY

CATALYSIS SCIENCE & TECHNOLOGY 5 ( 4 ) 2314 - 2321 2015年

ISSN: 2044-4753

DOI
Redox induced colour changes between red-violet and blue in hetero-metal complexes of the type [CoII(4′-ferrocenyl-2,2′;6′2"-terpyridine)2]X2 (X = counter anion)

Takami, K; Ohtani, R; Nakamura, M; Kurogi, T; Sugimoto, M; Lindoy, LF; Hayami, S

DALTON TRANSACTIONS 44 ( 42 ) 18354 - 18359 2015年

ISSN: 1477-9226

DOI
Regulation of a cerium(IV)-driven O2 evolution reaction using composites of liposome and lipophilic ruthenium complexes

Koshiyama, T; Kanda, N; Iwata, K; Honjo, M; Asada, S; Hatae, T; Tsuji, Y; Yoshida, M; Okamura, M; K … 全著者表示

DALTON TRANSACTIONS 44 ( 34 ) 15126 - 15129 2015年

ISSN: 1477-9226

DOI
Simple, yet powerful methodologies for conformational sampling of proteins

Harada, R; Takano, Y; Baba, T; Shigeta, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 9 ) 6155 - 6173 2015年

ISSN: 1463-9076

DOI
Syntheses and properties of phosphine-substituted ruthenium(II) polypyridine complexes with nitrogen oxides

Nakamura, G; Kondo, M; Crisalli, M; Lee, SK; Shibata, A; Ford, PC; Masaoka, S

DALTON TRANSACTIONS 44 ( 39 ) 17189 - 17200 2015年

ISSN: 1477-9226

DOI
Theoretical design of solvatochromism switching by photochromic reactions using donor-acceptor disubstituted diarylethene derivatives with oxidized thiophene rings

Okuno, K; Shigeta, Y; Kishi, R; Nakano, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 9 ) 6484 - 6494 2015年

ISSN: 1463-9076

DOI
Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics

Isobe, H; Nakamura, K; Hitosugi, S; Sato, S; Tokoyama, H; Yamakado, H; Ohno, K; Kono, H

CHEMICAL SCIENCE 6 ( 5 ) 2746 - 2753 2015年

ISSN: 2041-6520

DOI
Unraveling the degradation of artificial amide bonds in nylon oligomer hydrolase: from induced-fit to acylation processes

Baba, T; Boero, M; Kamiya, K; Ando, H; Negoro, S; Nakano, M; Shigeta, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17 ( 6 ) 4492 - 4504 2015年

ISSN: 1463-9076

DOI
Valence holes observed in nanodiamonds dispersed in water

Petit, T; Pflüger, M; Tolksdorf, D; Xiao, J; Aziz, EF

NANOSCALE 7 ( 7 ) 2987 - 2991 2015年

ISSN: 2040-3364

DOI
i-Motifs are more stable than G-quadruplexes in a hydrated ionic liquid

Tateishi-Karimata, H; Nakano, M; Pramanik, S; Tanaka, S; Sugimoto, N

CHEMICAL COMMUNICATIONS 51 ( 32 ) 6909 - 6912 2015年

ISSN: 1359-7345

DOI
Irreversible Denaturation of Maltodextrin Glucosidase Studied by Differential Scanning Calorimetry, Circular Dichroism, and Turbidity Measurements

Goyal, M; Chaudhuri, TK; Kuwajima, K

PLOS ONE 9 ( 12 ) 2014年12月30日

ISSN: 1932-6203

DOI
Time-resolved HAXPES at SACLA: probe and pump pulse-induced space-charge effects

Oloff, LP; Oura, M; Rossnagel, K; Chainani, A; Matsunami, M; Eguchi, R; Kiss, T; Nakatani, Y; Yamag … 全著者表示

NEW JOURNAL OF PHYSICS 16 2014年12月17日

ISSN: 1367-2630

DOI
Heterogeneous Chain Dynamics in a Supercooled Polymer Melt: Relaxation Mode Analysis Study

Iwaoka, N; Takano, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 12 ) 2014年12月15日

ISSN: 0031-9015

DOI
Site-specific intermolecular valence-band dispersion in α-phase crystalline films of cobalt phthalocyanine studied by angle-resolved photoemission spectroscopy

Yamane, H; Kosugi, N

JOURNAL OF CHEMICAL PHYSICS 141 ( 22 ) 2014年12月14日

ISSN: 0021-9606

DOI
Beam injection with pulsed multipole magnet at UVSOR-III

Yamamoto, N; Zen, H; Hosaka, M; Konomi, T; Adachi, M; Hayashi, K; Yamazaki, J; Takashima, Y; Katoh, … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 767 26 - 33 2014年12月11日

ISSN: 0168-9002

DOI
Carrier Dynamics in PentacenelC60 Bilayer Solar Cell Investigated through the Magnetoconductance

Omori, T; Wakikawa, Y; Miura, T; Yamaguchi, Y; Nakayama, K; Ikoma, T

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 49 ) 28418 - 28424 2014年12月11日

ISSN: 1932-7447

DOI
π-Extended Narrow-Bandgap Diketopyrrolopyrrole-Based Oligomers for Solution-Processed Inverted Organic Solar Cells

Shin, W; Yasuda, T; Hidaka, Y; Watanabe, G; Arai, R; Nasu, K; Yamaguchi, T; Murakami, W; Makita, K; … 全著者表示

ADVANCED ENERGY MATERIALS 4 ( 17 ) 2014年12月09日

ISSN: 1614-6832

DOI
Control of the Transition between Ni-C and Ni-SIa States by the Redox State of the Proximal Fe-S Cluster in the Catalytic Cycle of [NiFe] Hydrogenase

Tai, HL; Nishikawa, K; Suzuki, M; Higuchi, Y; Hirota, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53 ( 50 ) 13817 - 13820 2014年12月08日

ISSN: 1433-7851

DOI
Experimental and theoretical studies of the structural and electronic properties of vanadium benzene sandwich clusters and their anions: VnBzn0/- (n=1-5) and VnBzn-10/- (n=2-5)

Masubuchi, T; Iwasa, T; Nakajima, A

JOURNAL OF CHEMICAL PHYSICS 141 ( 21 ) 2014年12月07日

ISSN: 0021-9606

DOI
Temperature effects on prevalent structures of hydrated Fe+ complexes: Infrared spectroscopy and DFT calculations of Fe+(H2O)n (n=3-8)

Ohashi, K; Sasaki, J; Yamamoto, G; Judai, K; Nishi, N; Sekiya, H

JOURNAL OF CHEMICAL PHYSICS 141 ( 21 ) 2014年12月07日

ISSN: 0021-9606

DOI
Comparative Study of Sodium and Lithium Intercalation and Diffusion Mechanism in Black Phosphorus from First-principles Simulation

Yu, XF; Ushiyama, H; Yamashita, K

CHEMISTRY LETTERS 43 ( 12 ) 1940 - 1942 2014年12月05日

ISSN: 0366-7022

DOI
Structures of Naphthol-AOT Self-assembly Organogels and Their Applications to Dispersing Media of Rare-earth Complexes

Katsube, S; Harada, T; Umecky, T; Takamuku, T; Kaji, T; Hiramoto, M; Katsumoto, Y; Nishiyama, K

CHEMISTRY LETTERS 43 ( 12 ) 1861 - 1863 2014年12月05日

ISSN: 0366-7022

DOI
Recent Progress in the Functionalization Methods of Thiolate-Protected Gold Clusters

Kurashige, W; Niihori, Y; Sharma, S; Negishi, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 5 ( 23 ) 4134 - 4142 2014年12月04日

ISSN: 1948-7185

DOI
Structural insight into substrate recognition by the endoplasmic reticulum folding-sensor enzyme: crystal structure of third thioredoxin-like domain of UDP-glucose: glycoprotein glucosyltransferase

Zhu, T; Satoh, T; Kato, K

SCIENTIFIC REPORTS 4 2014年12月04日

ISSN: 2045-2322

DOI
240 kW peak power at 266 nm in nonlinear YAl3(BO3)4 single crystal

Ilas, S; Loiseau, P; Aka, G; Taira, T

OPTICS EXPRESS 22 ( 24 ) 30325 - 30332 2014年12月01日

ISSN: 1094-4087

DOI
Attenuated total reflectance spectroscopy with chirped-pulse upconversion

Shirai, H; Duchesne, C; Furutani, Y; Fuji, T

OPTICS EXPRESS 22 ( 24 ) 29611 - 29616 2014年12月01日

ISSN: 1094-4087

DOI
A significant role of Arg41 residue in the enzymatic reaction of haloacid dehalogenase L-DEX YL studied by QM/MM method

Kondo, H; Nakamura, T; Tanaka, S

JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC 110 23 - 31 2014年12月

ISSN: 1381-1177

DOI
Degradation in organic solar cells under illumination and electrical stresses in air

Harafuji, K; Sato, H; Matsuura, T; Omoto, Y; Kaji, T; Hiramoto, M

JAPANESE JOURNAL OF APPLIED PHYSICS 53 ( 12 ) 2014年12月

ISSN: 0021-4922

DOI
Generation of vacuum ultraviolet radiation by intracavity high-harmonic generation toward state detection of single trapped ions

Wakui, K; Hayasaka, K; Ido, T

APPLIED PHYSICS B-LASERS AND OPTICS 117 ( 3 ) 957 - 967 2014年12月

ISSN: 0946-2171

DOI
Maximum probing depth of low-energy photoelectrons in an amorphous organic semiconductor film

Ozawa, Y; Nakayama, Y; Machida, S; Kinjo, H; Ishii, H

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 197 17 - 21 2014年12月

ISSN: 0368-2048

DOI
Mode of substrate recognition by the Josephin domain of ataxin-3, which has an endo-type deubiquitinase activity

Satoh, T; Sumiyoshi, A; Yagi-Utsumi, M; Sakata, E; Sasakawa, H; Kurimoto, E; Yamaguchi, Y; Li, W; J … 全著者表示

FEBS LETTERS 588 ( 23 ) 4422 - 4430 2014年11月28日

ISSN: 0014-5793

DOI
First-Principles Computational Visualization of Localized Surface Plasmon Resonance in Gold Nanoclusters

Iida, K; Noda, M; Ishimura, K; Nobusada, K

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 47 ) 11317 - 11322 2014年11月27日

ISSN: 1089-5639

DOI
High-performance heterogeneous catalysis with surface-exposed stable metal nanoparticles

Huang, N; Xu, YH; Jiang, DL

SCIENTIFIC REPORTS 4 2014年11月27日

ISSN: 2045-2322

DOI
Studies on the Detailed Structure of Poly(dimethylsilylene)

Kyushin, S; Ichikawa, K; Koyama, Y; Shiraiwa, H; Ichikawa, H; Okamura, K; Suzuki, K

ORGANOMETALLICS 33 ( 22 ) 6298 - 6304 2014年11月24日

ISSN: 0276-7333

DOI
Enantioposition-Selective Copper-Catalyzed Azide-Alkyne Cycloaddition for Construction of Chiral Biaryl Derivatives

Osako, T; Uozumi, Y

ORGANIC LETTERS 16 ( 22 ) 5866 - 5869 2014年11月21日

ISSN: 1523-7060

DOI
Quantitative correction of the rate constant in the improved variational master equation for excitation energy transfer

Kimura, A; Fujihashi, Y

JOURNAL OF CHEMICAL PHYSICS 141 ( 19 ) 2014年11月21日

ISSN: 0021-9606

DOI
Synthesis of a Series of Zinc(II)/Freebase Porphyrin Dimers and Trimers with Programmable Sequences from a Common Key Molecule

Tamaki, T; Nosaka, T; Ogawa, T

JOURNAL OF ORGANIC CHEMISTRY 79 ( 22 ) 11029 - 11038 2014年11月21日

ISSN: 0022-3263

DOI
All-Benzene Carbon Nanocages: Size-Selective Synthesis, Photophysical Properties, and Crystal Structure

Matsui, K; Segawa, Y; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 46 ) 16452 - 16458 2014年11月19日

ISSN: 0002-7863

DOI
Linear Coordination Fullerene C60 Polymer [{Ni(Me3P)2}(μ-η2,η2-C60)}∞ Bridged by Zerovalent Nickel Atoms

Konarev, DV; Khasanov, SS; Nakano, Y; Otsuka, A; Yamochi, H; Saito, G; Lyubovskaya, RN

INORGANIC CHEMISTRY 53 ( 22 ) 11960 - 11965 2014年11月17日

ISSN: 0020-1669

DOI
Efficiency of Perturbation-Selection and its Orbital Dependence in the SAC-CI Calculations for Valence Excitations of Medium-Size Molecules

Fukuda, R; Ehara, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 35 ( 30 ) 2163 - 2176 2014年11月15日

ISSN: 0192-8651

DOI
The electronic structure of perfluorodecalin studied by soft X-ray spectroscopy and electronic structure calculations

Brandenburg, T; Agåker, M; Atak, K; Pflüger, M; Schwanke, C; Petit, T; Lange, KM; Rubensson, JE; Az … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 42 ) 23379 - 23385 2014年11月14日

ISSN: 1463-9076

DOI
Why does the IR spectrum of hydroxide stretching vibration weaken with increase in hydration?

Morita, M; Takahashi, H; Yabushita, S; Takahashi, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 42 ) 23143 - 23149 2014年11月14日

ISSN: 1463-9076

DOI
Theoretical Study on Diradical Characters and Nonlinear Optical Properties of 1,3-Diradical Compounds

Kishi, R; Murata, Y; Saito, M; Morita, K; Abe, M; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 45 ) 10837 - 10848 2014年11月13日

ISSN: 1089-5639

DOI
Oscillation of the electron-density distribution in momentum space: An (e, 2e) study of H2 at large momentum transfer

Yamazaki, M; Satoh, H; Watanabe, N; Jones, DB; Takahashi, M

PHYSICAL REVIEW A 90 ( 5 ) 2014年11月12日

ISSN: 1050-2947

DOI
Reactivity of the Binuclear Non-Heme Iron Active Site of Δ9 Desaturase Studied by Large-Scale Multireference Ab Initio Calculations

Chalupsky, J; Rokob, TA; Kurashige, Y; Yanai, T; Soomon, EI; Rulísek, L; Srnec, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 45 ) 15977 - 15991 2014年11月12日

ISSN: 0002-7863

DOI
A biferrocenium salt containing paramagnetic tetracyanoquinodimethane hexamers: charge disproportionation via donor-acceptor interactions

Mochida, T; Funasako, Y; Takahashi, K; Inokuchi, M; Sakurai, T; Ikeda, S; Ohta, H; Mori, H; Uruichi … 全著者表示

CHEMICAL COMMUNICATIONS 50 ( 87 ) 13370 - 13372 2014年11月11日

ISSN: 1359-7345

DOI
Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group

Kurashige, Y; Chalupsky, J; Lan, TN; Yanai, T

JOURNAL OF CHEMICAL PHYSICS 141 ( 17 ) 2014年11月07日

ISSN: 0021-9606

DOI
Quantum chemical approach for condensed-phase thermochemistry: Proposal of a harmonic solvation model

Nakai, H; Ishikawa, A

JOURNAL OF CHEMICAL PHYSICS 141 ( 17 ) 2014年11月07日

ISSN: 0021-9606

DOI
Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework

Endo, Y; Hasegawa, M; Matsui, T; Yagi, H; Hino, S; Mazaki, Y

ORGANIC LETTERS 16 ( 21 ) 5608 - 5611 2014年11月07日

ISSN: 1523-7060

DOI
Fluorescent triphenylamine derivative: Theoretical design based on reduced vibronic coupling

Kameoka, Y; Uebe, M; Ito, A; Sato, T; Tanaka, K

CHEMICAL PHYSICS LETTERS 615 44 - 49 2014年11月05日

ISSN: 0009-2614

DOI
Five-photon sequential double ionization of He in intense extreme-ultraviolet free-electron laser fields

Hikosaka, Y; Fushitani, M; Matsuda, A; Endo, T; Toida, Y; Shigemasa, E; Nagasono, M; Tono, K; Togas … 全著者表示

PHYSICAL REVIEW A 90 ( 5 ) 2014年11月03日

ISSN: 1050-2947

DOI
Ionization sensitization of doping in co-deposited organic semiconductor films

Shinmura, Y; Yamashina, Y; Kaji, T; Hiramoto, M

APPLIED PHYSICS LETTERS 105 ( 18 ) 2014年11月03日

ISSN: 0003-6951

DOI
Multifunctional One-Dimensional Rhodium(I)-Semiquinonato Complex: Substituent Effects on Crystal Structures and Solid-State Properties

Mitsumi, M; Ohtake, S; Kakuno, Y; Komatsu, Y; Ozawa, Y; Toriumi, K; Yasuda, N; Azuma, N; Miyazaki, Y

INORGANIC CHEMISTRY 53 ( 21 ) 11710 - 11720 2014年11月03日

ISSN: 0020-1669

DOI
Two-Dimensional Tetrathiafulvalene Covalent Organic Frameworks: Towards Latticed Conductive Organic Salts

Jin, SB; Sakurai, T; Kowalczyk, T; Dalapati, S; Xu, F; Wei, H; Chen, X; Gao, J; Seki, S; Irle, S; J … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 45 ) 14608 - 14613 2014年11月03日

ISSN: 0947-6539

DOI
Cerium(IV)-driven oxidation of water catalyzed by mononuclear ruthenium complexes

Yoshida, M; Masaoka, S

RESEARCH ON CHEMICAL INTERMEDIATES 40 ( 9 ) 3169 - 3182 2014年11月

ISSN: 0922-6168

DOI
Colorization of Magnetic Hologram Images With Optical Space Division Method

Nakamura, K; Kudo, K; Goto, T; Takagi, H; Lim, PB; Inoue, M

IEEE TRANSACTIONS ON MAGNETICS 50 ( 11 ) 2014年11月

ISSN: 0018-9464

DOI
Combinatorial Pulsed Laser Deposition of Magnetic and Magneto-optical Sr(GaxTiyFe0.34-0.40)O3-δ Perovskite Films

Sun, XY; Zhang, C; Aimon, NM; Goto, T; Onbasli, M; Kim, DH; Choi, HK; Ross, CA

ACS COMBINATORIAL SCIENCE 16 ( 11 ) 640 - 646 2014年11月

ISSN: 2156-8952

DOI
Density-Functional Tight-Binding Combined with the Fragment Molecular Orbital Method

Nishimoto, Y; Fedorov, DG; Irle, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10 ( 11 ) 4801 - 4812 2014年11月

ISSN: 1549-9618

DOI
Development of horn antenna mixer array with internal local oscillator module for microwave imaging diagnostics

Kuwahara, D; Ito, N; Nagayama, Y; Yoshinaga, T; Yamaguchi, S; Yoshikawa, M; Kohagura, J; Sugito, S; … 全著者表示

REVIEW OF SCIENTIFIC INSTRUMENTS 85 ( 11 ) 2014年11月

ISSN: 0034-6748

DOI
Half-cycle pulses in the mid-infrared from a two-color laser-induced filament

Voronin, AA; Nomura, Y; Shirai, H; Fuji, T; Zheltikov, A

APPLIED PHYSICS B-LASERS AND OPTICS 117 ( 2 ) 611 - 619 2014年11月

ISSN: 0946-2171

DOI
Interaction Energy of Large Molecules from Restrained Denominator MP2-F12

Ohnishi, YY; Ishimura, K; Ten-no, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10 ( 11 ) 4857 - 4861 2014年11月

ISSN: 1549-9618

DOI
Magnetic and fluorescence properties of cerium-doped yttrium gadolinium aluminum iron garnet crystals

Aoki, D; Shima, M

JAPANESE JOURNAL OF APPLIED PHYSICS 53 ( 11 ) 2014年11月

ISSN: 0021-4922

DOI
Molecular dynamics of the structural changes of helical peptides induced by pressure

Mori, Y; Okumura, H

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 82 ( 11 ) 2970 - 2981 2014年11月

ISSN: 0887-3585

DOI
Structure-sensitive bend elastic constants between piconewton and subnanonewton in diphenylacetylene-core-based liquid crystals

Aya, S; Ogino, S; Hayashi, Y; Okano, K; Pociecha, D; Le, KV; Araoka, F; Kawauchi, S; Gorecka, E; Va … 全著者表示

PHYSICAL REVIEW E 90 ( 4 ) 2014年10月31日

ISSN: 1539-3755

DOI
Compact Non-Rock-Salt Structures in Sodium Fluoride Cluster Ions at Specific Sizes Revealed by Ion Mobility Mass Spectrometry

Ohshimo, K; Takahashi, T; Moriyama, R; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 43 ) 9970 - 9975 2014年10月30日

ISSN: 1089-5639

DOI
Preferential Location of Coinage Metal Dopants (M = Ag or Cu) in [Au25-XMX(SC2H4Ph)18]- (x ∼ 1) As Determined by Extended X-ray Absorption Fine Structure and Density Functional Theory Calculations

Yamazoe, S; Kurashige, W; Nobusada, K; Negishi, Y; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 43 ) 25284 - 25290 2014年10月30日

ISSN: 1932-7447

DOI
Bifunctional Porphyrin Catalysts for the Synthesis of Cyclic Carbonates from Epoxides and CO2: Structural Optimization and Mechanistic Study

Ema, T; Miyazaki, Y; Shimonishi, J; Maeda, C; Hasegawa, J

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 43 ) 15270 - 15279 2014年10月29日

ISSN: 0002-7863

DOI
Atomic corrugation and electron localization due to Moire patterns in twisted bilayer graphenes

Uchida, K; Furuya, S; Iwata, JI; Oshiyama, A

PHYSICAL REVIEW B 90 ( 15 ) 2014年10月28日

ISSN: 1098-0121

DOI
Crystal structure of archaeal homolog of proteasome-assembly chaperone PbaA

Sikdar, A; Satoh, T; Kawasaki, M; Kato, K

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 453 ( 3 ) 493 - 497 2014年10月24日

ISSN: 0006-291X

DOI
An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster-configuration interaction method: The accuracy of excitation energies and intuitive charge-transfer indices

Fukuda, R; Ehara, M

JOURNAL OF CHEMICAL PHYSICS 141 ( 15 ) 2014年10月21日

ISSN: 0021-9606

DOI
Integration of bulk-quality thin film magneto-optical cerium-doped yttrium iron garnet on silicon nitride photonic substrates

Onbasli, MC; Goto, T; Sun, XY; Huynh, N; Ross, CA

OPTICS EXPRESS 22 ( 21 ) 25183 - 25192 2014年10月20日

ISSN: 1094-4087

DOI
Spontaneous Redox Synthesis and Characterization of the Tetrathiafulvalene-Vanadium-Substituted Polyoxometalate Charge-Transfer Material TTF4[SVW11O40]: Comparison with the Mo Analogue

Li, Q; Lu, J; Boas, JF; Traore, DAK; Wilce, MCJ; Martin, LL; Ueda, T; Bond, AM

INORGANIC CHEMISTRY 53 ( 20 ) 10996 - 11006 2014年10月20日

ISSN: 0020-1669

DOI
Three Distinct Redox States of an Oxo-Bridged Dinuclear Ruthenium Complex

Yoshida, M; Kondo, M; Nakamura, T; Sakai, K; Masaoka, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53 ( 43 ) 11519 - 11523 2014年10月20日

ISSN: 1433-7851

DOI
Halogen exchange by reaction of CpRu(Cl)(PPh3)2 with MeC(O)X (X = Br, I) and its mechanistic study

Kuniyasu, H; Sanagawa, A; Nakajima, T; Iwasaki, T; Kambe, N; Bobuatong, K; Ehara, M

JOURNAL OF ORGANOMETALLIC CHEMISTRY 769 34 - 37 2014年10月15日

ISSN: 0022-328X

DOI
Heme-Binding Properties of HupD Functioning as a Substrate-Binding Protein in a Heme-Uptake ABC-Transporter System in Listeria monocytogenes

Okamoto, Y; Sawai, H; Ogura, M; Uchida, T; Ishimori, K; Hayashi, T; Aono, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 10 ) 1140 - 1146 2014年10月15日

ISSN: 0009-2673

DOI
Iron-Catalyzed C(sp2)-H Bond Functionalization with Organoboron Compounds

Shang, R; Ilies, L; Asako, S; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 41 ) 14349 - 14352 2014年10月15日

ISSN: 0002-7863

DOI
Theoretical Study of the π → π* Excited States of Oligoacenes: A Full π-Valence DMRG-CASPT2 Study

Kurashige, Y; Yanai, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 10 ) 1071 - 1073 2014年10月15日

ISSN: 0009-2673

DOI
Kinetics and Dynamics on the Formation of S2(X3Σg-,a1Δg) in the S(1D) + OCS Reaction

Yamashita, J; Fujihara, K; Takahashi, O; Kohguchi, H; Yamasaki, K

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 40 ) 9330 - 9337 2014年10月09日

ISSN: 1089-5639

DOI
Quantum Chemical Investigations on the Nonradiative Deactivation Pathways of Cytosine Derivatives

Nakayama, A; Yamazaki, S; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 40 ) 9429 - 9437 2014年10月09日

ISSN: 1089-5639

DOI
Rydberg and π-π* Transitions in Film Surfaces of Various Kinds of Nylons Studied by Attenuated Total Reflection Far-Ultraviolet Spectroscopy and Quantum Chemical Calculations: Peak Shifts in the Spectra and Their Relation to Nylon Structure and Hydrogen Bondings

Morisawa, Y; Yasunaga, M; Sato, H; Fukuda, R; Ehara, M; Ozaki, Y

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 40 ) 11855 - 11861 2014年10月09日

ISSN: 1520-6106

DOI
(Dibenzoylmethanato)boron Difluoride Derivatives Containing Triphenylamine Moieties: A New Type of Electron-Donor/π-Acceptor System for Dye-Sensitized Solar Cells

Mizuno, Y; Yisilamu, Y; Yamaguchi, T; Tomura, M; Funaki, T; Sugihara, H; Ono, K

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 41 ) 13286 - 13295 2014年10月06日

ISSN: 0947-6539

DOI
Exploration of Conformational Spaces of High-Mannose-Type Oligosaccharides by an NMR-Validated Simulation

Yamaguchi, T; Sakae, Y; Zhang, Y; Yamamoto, S; Okamoto, Y; Kato, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53 ( 41 ) 10941 - 10944 2014年10月06日

ISSN: 1433-7851

DOI
Factors Affecting Hydrogen-Tunneling Contribution in Hydroxylation Reactions Promoted by Oxoiron(IV) Porphyrin π-Cation Radical Complexes

Cong, ZQ; Kinemuchi, H; Kurahashi, T; Fujii, H

INORGANIC CHEMISTRY 53 ( 19 ) 10632 - 10641 2014年10月06日

ISSN: 0020-1669

DOI
Influence of Ligand Flexibility on the Electronic Structure of Oxidized NiIII-Phenoxide Complexes

Kawai, M; Yamaguchi, T; Masaoka, S; Tani, F; Kohzuma, T; Chiang, L; Storr, T; Mieda, K; Ogura, T; S … 全著者表示

INORGANIC CHEMISTRY 53 ( 19 ) 10195 - 10202 2014年10月06日

ISSN: 0020-1669

DOI
An Isolable Diborane(4) Compound with Terminal B-H Bonds: Structural Characteristics and Electronic Properties

Shoji, Y; Kaneda, S; Fueno, H; Tanaka, K; Tamao, K; Hashizume, D; Matsuo, T

CHEMISTRY LETTERS 43 ( 10 ) 1587 - 1589 2014年10月05日

ISSN: 0366-7022

DOI
Skeletal Rearrangement of Cyano-Substituted Iminoisobenzofurans into Alkyl 2-Cyanobenzoates Catalyzed by B(C6F5)3

Li, J; Okuda, Y; Zhao, JJ; Mori, S; Nishihara, Y

ORGANIC LETTERS 16 ( 19 ) 5220 - 5223 2014年10月03日

ISSN: 1523-7060

DOI
Dimerization Process of Amyloid-β(29-42) Studied by the Hamiltonian Replica-Permutation Molecular Dynamics Simulations

Itoh, SG; Okumura, H

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 39 ) 11428 - 11436 2014年10月02日

ISSN: 1520-6106

DOI
Reparametrization Approach of DFT Functionals Based on the Equilibrium Temperature of Spin-Crossover Compounds

Slimani, A; Yu, XF; Muraoka, A; Boulcheddaden, K; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 39 ) 9005 - 9012 2014年10月02日

ISSN: 1089-5639

DOI
Anisotropic Yb:FAP laser ceramics by microdomain control

Sato, Y; Arzakantsyan, M; Akiyama, J; Taira, T

OPTICAL MATERIALS EXPRESS 4 ( 10 ) 2006 - 2015 2014年10月01日

ISSN: 2159-3930

DOI
Backbone 1H, 13C, and 15N assignments of yeast Ump1, an intrinsically disordered protein that functions as a proteasome assembly chaperone

Uekusa, Y; Okawa, K; Yagi-Utsumi, M; Serve, O; Nakagawa, Y; Mizushima, T; Yagi, H; Saeki, Y; Tanaka … 全著者表示

BIOMOLECULAR NMR ASSIGNMENTS 8 ( 2 ) 383 - 386 2014年10月

ISSN: 1874-2718

DOI
Contact electrification of polymers due to electron transfer among mechano anions, mechano cations and mechano radicals

Sakaguchi, M; Makino, M; Ohura, T; Iwata, T

JOURNAL OF ELECTROSTATICS 72 ( 5 ) 412 - 416 2014年10月

ISSN: 0304-3886

DOI
Dimeric Tetrathiafulvalene Linked to pseudo-ortho-[2.2]Paracyclophane: Chiral Electrochromic Properties and Use as a Chiral Dopant

Kobayakawa, K; Hasegawa, M; Sasaki, H; Endo, J; Matsuzawa, H; Sako, K; Yoshida, J; Mazaki, Y

CHEMISTRY-AN ASIAN JOURNAL 9 ( 10 ) 2751 - 2754 2014年10月

ISSN: 1861-4728

DOI
Effect of Rotational Couplings on Vibrational Spectrum Line Shape of the Bending Mode in Low-Density Supercritical Water: Density and Hydrogen Isotopes Dependencies

Yoshida, K; Matubayasi, N; Uosaki, Y; Nakahara, M

JOURNAL OF SOLUTION CHEMISTRY 43 ( 9-10 ) 1499 - 1508 2014年10月

ISSN: 0095-9782

DOI
In operando observation system for electrochemical reaction by soft X-ray absorption spectroscopy with potential modulation method

Nagasaka, M; Yuzawa, H; Horigome, T; Kosugi, N

REVIEW OF SCIENTIFIC INSTRUMENTS 85 ( 10 ) 2014年10月

ISSN: 0034-6748

DOI
Molecular dynamics simulation of dissociation behavior of various crystalline celluloses treated with hot-compressed water

Miyamoto, H; Abdullah, R; Tokimura, H; Hayakawa, D; Ueda, K; Saka, S

CELLULOSE 21 ( 5 ) 3203 - 3215 2014年10月

ISSN: 0969-0239

DOI
Molecular single photon double K-shell ionization

Penent, F; Nakano, M; Tashiro, M; Grozdanov, TP; Zitnik, M; Carniato, S; Selles, P; Andric, L; Labl … 全著者表示

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 196 38 - 42 2014年10月

ISSN: 0368-2048

DOI
Positive hysteresis of Ce-doped GAGG scintillator

Yanagida, T; Fujimoto, Y; Koshimizu, M; Watanabe, K; Sato, H; Yagi, H; Yanagitani, T

OPTICAL MATERIALS 36 ( 12 ) 2016 - 2019 2014年10月

ISSN: 0925-3467

DOI
Scintillation and luminescence properties of a single CsCaCl3 crystal

Koshimizu, M; Yahaba, N; Haruki, R; Nishikido, F; Kishimoto, S; Asai, K

OPTICAL MATERIALS 36 ( 12 ) 1930 - 1933 2014年10月

ISSN: 0925-3467

DOI
Coarse-Grained Molecular Dynamics Simulations of Protein-Ligand Binding

Negami, T; Shimizu, K; Terada, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 35 ( 25 ) 1835 - 1845 2014年09月30日

ISSN: 0192-8651

DOI
In situ study of an oxidation reaction on a Pt/C electrode by ambient pressure hard X-ray photoelectron spectroscopy

Takagi, Y; Wang, H; Uemura, Y; Ikenaga, E; Sekizawa, O; Uruga, T; Ohashi, H; Senba, Y; Yumoto, H; Y … 全著者表示

APPLIED PHYSICS LETTERS 105 ( 13 ) 2014年09月29日

ISSN: 0003-6951

DOI
Communication: Two-step explosion processes of highly charged fullerene cations C60q+ (q=20-60)

Yamazaki, K; Nakamura, T; Niitsu, N; Kanno, M; Ueda, K; Kono, H

JOURNAL OF CHEMICAL PHYSICS 141 ( 12 ) 2014年09月28日

ISSN: 0021-9606

DOI
Theoretical approach for optical response in electrochemical systems: Application to electrode potential dependence of surface-enhanced Raman scattering

Iida, K; Noda, M; Nobusada, K

JOURNAL OF CHEMICAL PHYSICS 141 ( 12 ) 2014年09月28日

ISSN: 0021-9606

DOI
Inhibition of the Functional Interplay between Endoplasmic Reticulum (ER) Oxidoreduclin-1α (Ero1α) and Protein-disulfide Isomerase (PDI) by the Endocrine Disruptor Bisphenol A

Okumura, M; Kadokura, H; Hashimoto, S; Yutani, K; Kanemura, S; Hikima, T; Hidaka, Y; Ito, L; Shiba, … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 289 ( 39 ) 27004 - 27018 2014年09月26日

DOI
C-Cl Bond Activation on Au/Pd Bimetallic Nanocatalysts Studied by Density Functional Theory and Genetic Algorithm Calculations

Boekfa, B; Pahl, E; Gaston, N; Sakurai, H; Limtrakul, J; Ehara, M

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 38 ) 22188 - 22196 2014年09月25日

ISSN: 1932-7447

DOI
Computational Study of the Effects of Steric Hindrance on Amide Bond Cleavage

Matsubara, T; Ueta, C

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 38 ) 8664 - 8675 2014年09月25日

ISSN: 1089-5639

DOI
Local Optical Activity in Achiral Two-Dimensional Gold Nanostructures

Hashiyada, S; Narushima, T; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 38 ) 22229 - 22233 2014年09月25日

ISSN: 1932-7447

DOI
Distribution of Mammalian-Like Melanopsin in Cyclostome Retinas Exhibiting a Different Extent of Visual Functions

Sun, L; Kawano-Yamashita, E; Nagata, T; Tsukamoto, H; Furutani, Y; Koyanagi, M; Terakita, A

PLOS ONE 9 ( 9 ) 2014年09月24日

ISSN: 1932-6203

DOI
Iron-Catalyzed Directed Alkylation of Aromatic and Olefinic Carboxamides with Primary and Secondary Alkyl Tosylates, Mesylates, and Halides

Ilies, L; Matsubara, T; Ichikawa, S; Asako, S; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 38 ) 13126 - 13129 2014年09月24日

ISSN: 0002-7863

DOI
Perpendicular magnetic anisotropy at the interface between ultrathin Fe film and MgO studied by angular-dependent x-ray magnetic circular dichroism

Okabayashi, J; Koo, JW; Sukegawa, H; Mitani, S; Takagi, Y; Yokoyama, T

APPLIED PHYSICS LETTERS 105 ( 12 ) 2014年09月22日

ISSN: 0003-6951

DOI
Tuning of Metal-Metal Interactions in Mixed-Valence States of Cyclometalated Dinuclear Ruthenium and Osmium Complexes Bearing Tetrapyridylpyrazine or -benzene

Nagashima, T; Nakabayashi, T; Suzuki, T; Kanaizuka, K; Ozawa, H; Zhong, YW; Masaoka, S; Sakai, K; H … 全著者表示

ORGANOMETALLICS 33 ( 18 ) 4893 - 4904 2014年09月22日

ISSN: 0276-7333

DOI
Formation and Electronic Structures of Organoeuropium Sandwich Nanowires

Hosoya, N; Takegami, R; Suzumura, J; Yada, K; Miyajima, K; Mitsui, M; Knickelbein, MB; Yabushita, S … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 37 ) 8298 - 8308 2014年09月18日

ISSN: 1089-5639

DOI
Theoretical Study on Excited States of Bacteriochlorophyll a in Solutions with Density Functional Assessment

Higashi, M; Kosugi, T; Hayashi, S; Saito, S

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 37 ) 10906 - 10918 2014年09月18日

ISSN: 1520-6106

DOI
Tetrasilane-Bridged Bicyclo[4.1.0]heptasil-1(6)-ene

Tsurusaki, A; Kamiyama, J; Kyushin, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 37 ) 12896 - 12898 2014年09月17日

ISSN: 0002-7863

DOI
Molecular Mechanism for Heme-Mediated Inhibition of 5-Aminolevulinic Acid Synthase 1

Kitatsuji, C; Ogura, M; Uchida, T; Ishimori, K; Aono, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 9 ) 997 - 1004 2014年09月15日

ISSN: 0009-2673

DOI
Motion Capture and Manipulation of a Single Synthetic Molecular Rotor by Optical Microscopy

Ikeda, T; Tsukahara, T; Iino, R; Takeuchi, M; Noji, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53 ( 38 ) 10082 - 10085 2014年09月15日

ISSN: 1433-7851

DOI
Solvation Structure of a Copper(II) Ion in Protic Ionic Liquids Comprising N-Hexylethylenediamine

Takemura, S; Kawakami, S; Harada, M; Iida, M

INORGANIC CHEMISTRY 53 ( 18 ) 9667 - 9678 2014年09月15日

ISSN: 0020-1669

DOI
Local-heterogeneous responses and transient dynamics of cage breaking and formation in colloidal fluids

Nag, P; Teramoto, H; Li, CB; Terdik, JZ; Scherer, NF; Komatsuzaki, T

JOURNAL OF CHEMICAL PHYSICS 141 ( 10 ) 2014年09月14日

ISSN: 0021-9606

DOI
Distribution of Topologically Distinct Isomers of Water Clusters and Dipole Moments of Constituent Water Molecules at Finite Atmospheric Temperatures

Akase, D; Aida, M

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 36 ) 7911 - 7924 2014年09月11日

ISSN: 1089-5639

DOI
Bimetallic Co-Pd alloy nanoparticles as magnetically recoverable catalysts for the aerobic oxidation of alcohols in water

Ito, Y; Ohta, H; Yamada, YMA; Enoki, T; Uozumi, Y

TETRAHEDRON 70 ( 36 ) 6146 - 6149 2014年09月09日

ISSN: 0040-4020

DOI
A Density Functional Study on the pKa of Small Polyprotic Molecules

Baba, T; Matsui, T; Kamiya, K; Nakano, M; Shigeta, Y

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 114 ( 17 ) 1128 - 1134 2014年09月05日

ISSN: 0020-7608

DOI
New extraction procedure for protonated polyoxometalates prepared in aqueous-organic solution and characterisation of their catalytic ability

Ueda, T; Yamashita, K; Onda, A

APPLIED CATALYSIS A-GENERAL 485 181 - 187 2014年09月05日

ISSN: 0926-860X

DOI
Switching of Single-Molecule Magnetic Properties of TbIII-Porphyrin Double-Decker Complexes and Observation of Their Supramolecular Structures on a Carbon Surface

Inose, T; Tanaka, D; Tanaka, H; Ivasenko, O; Nagata, T; Ohta, Y; De Feyter, S; Ishikawa, N; Ogawa, T

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 36 ) 11362 - 11369 2014年09月01日

ISSN: 0947-6539

DOI
Anomalous Superconducting-Gap Structure of Slightly Overdoped Ba(Fe1-xCox)2As2

Hajiri, T; Ito, T; Matsunami, M; Min, BH; Kwon, YS; Kimura, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 9 ) 2014年09月

ISSN: 0031-9015

DOI
Benchmark Study on the Triplet Excited-State Geometries and Phosphorescence Energies of Heterocyclic Compounds: Comparison Between TD-PBEO and SAC-CI

Bousquet, D; Fukuda, R; Jacquemin, D; Ciofini, I; Adamo, C; Ehara, M

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10 ( 9 ) 3969 - 3979 2014年09月

ISSN: 1549-9618

DOI
Computational and statistical study on the molecular interaction between antigen and antibody

Osajima, T; Suzuki, M; Neya, S; Hoshino, T

JOURNAL OF MOLECULAR GRAPHICS & MODELLING 53 128 - 139 2014年09月

ISSN: 1093-3263

DOI
Electron Confinement Due to Stacking Control of Atomic Layers in SiC Polytypes: Roles of Floating States and Spontaneous Polarization

Matsushita, Y; Furuya, S; Oshiyama, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 9 ) 2014年09月

ISSN: 0031-9015

DOI
Molecular Structure and Rotary Dynamics of Enterococcus hirae V1-ATPase

Iino, R; Minagawa, Y; Ueno, H; Hara, M; Murata, T

IUBMB LIFE 66 ( 9 ) 624 - 630 2014年09月

ISSN: 1521-6543

DOI
Theoretical Investigation on Nearsightedness of Finite Model and Molecular Systems Based on Linear Response Function Analysis

Mitsuta, Y; Yamanaka, S; Yamaguchi, K; Okumura, M; Nakamura, H

MOLECULES 19 ( 9 ) 13358 - 13373 2014年09月

ISSN: 1420-3049

DOI
Molecular double core-hole electron spectroscopy for probing chemical bonds: C60 and chain molecules revisited

Takahashi, O; Ueda, K

CHEMICAL PHYSICS 440 64 - 68 2014年08月31日

ISSN: 0301-0104

DOI
DFT study of CO oxidation over Au/TiO2(110): The extent of the reactive perimeter zone

Koga, H; Tada, K; Okumura, M

CHEMICAL PHYSICS LETTERS 610 76 - 81 2014年08月28日

ISSN: 0009-2614

DOI
Spin wave localization in one-dimensional magnonic microcavity comprising yttrium iron garnet

Kanazawa, N; Goto, T; Inoue, M

JOURNAL OF APPLIED PHYSICS 116 ( 8 ) 2014年08月28日

ISSN: 0021-8979

DOI
Sequential analysis of carbonaceous materials in Hayabusa-returned samples for the determination of their origin

Uesugi, M; Naraoka, H; Ito, M; Yabuta, H; Kitajima, F; Takano, Y; Mita, H; Ohnishi, I; Kebukawa, Y; … 全著者表示

EARTH PLANETS AND SPACE 66 2014年08月26日

ISSN: 1880-5981

DOI
Microbunching Instability in Relativistic Electron Bunches: Direct Observations of the Microstructures Using Ultrafast YBCO Detectors

Roussel, E; Evain, C; Szwaj, C; Bielawski, S; Raasch, J; Thoma, P; Scheuring, A; Hofherr, M; Ilin, … 全著者表示

PHYSICAL REVIEW LETTERS 113 ( 9 ) 2014年08月25日

ISSN: 0031-9007

DOI
Third-Order Nonlinear Optical Properties of One-Dimensional Open-Shell Molecular Aggregates Composed of Phenalenyl Radicals

Yoneda, K; Nakano, M; Fukuda, K; Matsui, H; Takamuku, S; Hirosaki, Y; Kubo, T; Kamada, K; Champagne … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 35 ) 11129 - 11136 2014年08月25日

ISSN: 0947-6539

DOI
Identification of Essential Histidine Residues Involved in Heme Binding and Hemozoin Formation in Heme Detoxification Protein from Plasmodium falciparum

Nakatani, K; Ishikawa, H; Aono, S; Mizutani, Y

SCIENTIFIC REPORTS 4 2014年08月20日

ISSN: 2045-2322

DOI
Open-Shell Character and Second Hyperpolarizabilities of One-Dimensional Chromium(II) Chains: Size Dependence and Bond-Length Alternation Effect

Fukui, H; Takamuku, S; Yamada, T; Fukuda, K; Takebayashi, T; Shigeta, Y; Kishi, R; Champagne, B; Na … 全著者表示

INORGANIC CHEMISTRY 53 ( 16 ) 8700 - 8707 2014年08月18日

ISSN: 0020-1669

DOI
Single site double core level ionisation of OCS

Hedin, L; Tashiro, M; Linusson, P; Eland, JHD; Ehara, M; Ueda, K; Zhaunerchyk, V; Karlsson, L; Feif … 全著者表示

CHEMICAL PHYSICS 439 111 - 116 2014年08月17日

ISSN: 0301-0104

DOI
Precision Synthesis of Regioregular Poly(3-hexylthiophene) with Low Dispersity Using a Zincate Complex Catalyzed by Nickel with the Ligand of 1,2-Bis(dicyclohexylphosphino)ethane

Goto, E; Nakamura, S; Kawauchi, S; Mori, H; Ueda, M; Higashihara, T

JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY 52 ( 16 ) 2287 - 2296 2014年08月15日

ISSN: 0887-624X

DOI
Affinity of Molecular Ions for DNA Structures Is Determined by Solvent-Accessible Surface Area

Nakano, M; Tateishi-Karimata, H; Tanaka, S; Sugimoto, N

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 32 ) 9583 - 9594 2014年08月14日

ISSN: 1520-6106

DOI
Interaction of Extracellular Loop II of κ-Opioid Receptor (196-228) with Opioid Peptide Dynorphin in Membrane Environments as Revealed by Solid State Nuclear Magnetic Resonance, Quartz Crystal Microbalance and Molecular Dynamics Simulation

Kira, A; Javkhantugs, N; Miyamori, T; Sasaki, Y; Eguchi, M; Kawamura, I; Ueda, K; Naito, A

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 32 ) 9604 - 9612 2014年08月14日

ISSN: 1520-6106

DOI
Vibronic effects on the low-lying electronic excitations in N2O induced by electron impact

Watanabe, N; Takahashi, M

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 47 ( 15 ) 2014年08月14日

ISSN: 0953-4075

DOI
Improvement of laser-beam distortion in large-aperture PPMgLN device by using X-axis Czochralski-grown crystal

Ishizuki, H; Taira, T

OPTICS EXPRESS 22 ( 16 ) 19668 - 19673 2014年08月11日

ISSN: 1094-4087

DOI
Nonreciprocal racetrack resonator based on vacuum-annealed magnetooptical cerium-substituted yttrium iron garnet

Goto, T; Onbasli, MC; Kim, DH; Singh, V; Inoue, M; Kimerling, LC; Ross, CA

OPTICS EXPRESS 22 ( 16 ) 19047 - 19054 2014年08月11日

ISSN: 1094-4087

DOI
Magnetic Interactions of Vanadyl Phthalocyanine with Ferromagnetic Iron, Cobalt, and Nickel Surfaces

Eguchi, K; Takagi, Y; Nakagawa, T; Yokoyama, T

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 31 ) 17633 - 17637 2014年08月07日

ISSN: 1932-7447

DOI
Observation of the origin of d0 magnetism in ZnO nanostructures using X-ray-based microscopic and spectroscopic techniques

Singh, SB; Wang, YF; Shao, YC; Lai, HY; Hsieh, SH; Limaye, MV; Chuang, CH; Hsueh, HC; Wang, H; Chio … 全著者表示

NANOSCALE 6 ( 15 ) 9166 - 9176 2014年08月07日

ISSN: 2040-3364

DOI
Theoretical Study of the Structural Stability of Molecular Chain Sheet Models of Cellulose Crystal Allomorphs

Uto, T; Mawatari, S; Yui, T

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 31 ) 9313 - 9321 2014年08月07日

ISSN: 1520-6106

DOI
Oscillations of the Orbital Magnetic Moment due to d-Band Quantum Well States

Dabrowski, M; Peixoto, TRF; Pazgan, M; Winkelmann, A; Cinal, M; Nakagawa, T; Takagi, Y; Yokoyama, T … 全著者表示

PHYSICAL REVIEW LETTERS 113 ( 6 ) 2014年08月06日

ISSN: 0031-9007

DOI
ERmod: Fast and Versatile Computation Software for Solvation Free Energy with Approximate Theory of Solutions

Sakuraba, S; Matubayasi, N

JOURNAL OF COMPUTATIONAL CHEMISTRY 35 ( 21 ) 1592 - 1608 2014年08月05日

ISSN: 0192-8651

DOI
Formation of Gold Clusters on La-Ni Mixed Oxides and Its Catalytic Performance for Isomerization of Allylic Alcohols to Saturated Aldehydes

Ishida, T; Aimoto, J; Hamasaki, A; Ohashi, H; Honma, T; Yokoyama, T; Sakata, K; Okumura, M; Tokunag … 全著者表示

CHEMISTRY LETTERS 43 ( 8 ) 1368 - 1370 2014年08月05日

ISSN: 0366-7022

DOI
EDEM2 initiates mammalian glycoprotein ERAD by catalyzing the first mannose trimming step

Ninagawa, S; Okada, T; Sumitomo, Y; Kamiya, Y; Kato, K; Horimoto, S; Ishikawa, T; Takeda, S; Sakuma … 全著者表示

JOURNAL OF CELL BIOLOGY 206 ( 3 ) 347 - 356 2014年08月04日

ISSN: 0021-9525

DOI
Asymmetric Phase Transitions Observed at the Interface of a Field-Effect Transistor Based on an Organic Mott Insulator

Yamamoto, HM; Kawasugi, Y; Cui, HB; Nakano, M; Iwasa, Y; Kato, R

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 24 ) 3841 - 3844 2014年08月

ISSN: 1434-1948

DOI
Boron-Ketoiminate-Based Polymers: Fine-Tuning of the Emission Color and Expression of Strong Emission Both in the Solution and Film States

Yoshii, R; Nagai, A; Tanaka, K; Chujo, Y

MACROMOLECULAR RAPID COMMUNICATIONS 35 ( 15 ) 1315 - 1319 2014年08月

ISSN: 1022-1336

DOI
Electronic and Local Crystal Structures of the ZrNiSn Half-Heusler Thermoelectric Material

Miyazaki, H; Nakano, T; Inukai, M; Soda, K; Izumi, Y; Muro, T; Kim, J; Takata, M; Matsunami, M; Kim … 全著者表示

MATERIALS TRANSACTIONS 55 ( 8 ) 1209 - 1214 2014年08月

ISSN: 1345-9678

DOI
Electronic structure of low-spin six-coordinate iron(III) meso-tetrapropylchlorin complexes

Ikezaki, A; Ono, J; Ohgo, Y; Fukagawa, M; Ikeue, T; Nakamura, M

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES 18 ( 8-9 ) 778 - 791 2014年08月

ISSN: 1088-4246

DOI
Fluctuating Local Recrystallization of Quasi-Liquid Layer of Sub-Micrometer-Scale Ice: A Molecular Dynamics Study

Kajima, Y; Ogata, S; Kobayashi, R; Hiyama, M; Tamura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 8 ) 2014年08月

ISSN: 0031-9015

DOI
Hydrothermal decomposition of various crystalline celluloses as treated by semi-flow hot-compressed water

Abdullah, R; Ueda, K; Saka, S

JOURNAL OF WOOD SCIENCE 60 ( 4 ) 278 - 286 2014年08月

ISSN: 1435-0211

DOI
Impact of molecular orbital distribution on photoelectron intensity for picene film

Liu, Y; Ikeda, D; Nagamatsu, S; Nishi, T; Ueno, N; Kera, S

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 195 287 - 292 2014年08月

ISSN: 0368-2048

DOI
Layered Salts with Iron Hexadecachlorophthalocyanine Anions - The Formation of [{FeCl16Pc}2]3- Dimers Containing [FeICl16Pc(2-)]- and Diamagnetic [Fe0Cl16Pc(2-)]2-

Konarev, DV; Kuzmin, AV; Ishikawa, M; Nakano, Y; Faraonov, MA; Khasanov, SS; Otsuka, A; Yamochi, H; … 全著者表示

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 24 ) 3863 - 3870 2014年08月

ISSN: 1434-1948

DOI
Lifetime broadening of atomic lines produced upon ultrafast dissociation of HCl and HBr

Lablanquie, P; Iwayama, H; Penent, F; Soejima, K; Shigemasa, E

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 195 96 - 100 2014年08月

ISSN: 0368-2048

DOI
Molecular Conductors with Effectively Half-Filled Electronic States Based on Tetrathiafulvalene Derivatives Condensed with a 2-Isopropylidene-1,3-dithiole Ring

Furuta, K; Kohno, S; Shirahata, T; Misaki, Y

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 24 ) 3982 - 3988 2014年08月

ISSN: 1434-1948

DOI
Nanoscopic Study on Developing Optical Activity with Increasing Chirality for Two-Dimensional Metal Nanostructures

Narushima, T; Hashiyada, S; Okamoto, H

ACS PHOTONICS 1 ( 8 ) 732 - 738 2014年08月

ISSN: 2330-4022

DOI
Optically Engineered Quantum States in Ultrafast and Ultracold Systems

Ohmori, K

FOUNDATIONS OF PHYSICS 44 ( 8 ) 813 - 818 2014年08月

ISSN: 0015-9018

DOI
Performance evaluation of ultra-large-scale first-principles electronic structure calculation code on the K computer

Hasegawa, Y; Iwata, JI; Tsuji, M; Takahashi, D; Oshiyama, A; Minami, K; Boku, T; Inoue, H; Kitazawa … 全著者表示

INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS 28 ( 3 ) 335 - 355 2014年08月

ISSN: 1094-3420

DOI
Photoelectron and Auger-electron spectra of Cl3SiSi(CH3)3 obtained by using monochromatized synchrotron radiation

Nagaoka, S; Endo, H; Nagai, K; Takahashi, O; Tamenori, Y; Suzuki, IH

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 195 18 - 25 2014年08月

ISSN: 0368-2048

DOI
Pressure-Induced Metallic Conductivity in the Single-Component Molecular Crystal [Ni(dmit)2]

Cui, HB; Tsumuraya, T; Miyazaki, T; Okano, Y; Kato, R

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 24 ) 3837 - 3840 2014年08月

ISSN: 1434-1948

DOI
Single-molecule electroluminescence and photoluminescence of polyfluorene unveils the photophysics behind the green emission band

Honmou, Y; Hirata, S; Komiyama, H; Hiyoshi, J; Kawauchi, S; Iyoda, T; Vacha, M

NATURE COMMUNICATIONS 5 2014年08月

ISSN: 2041-1723

DOI
Structural and Physical Properties of (EDO-TTF-Cl)2XF6 (X = As, Sb): Geometrical Aspects for Monosubstituted EDO-TTF (EDO-TTF=4,5-ethylenedioxytetrathiafulvalene)

Ishikawa, M; Nakano, Y; Uruichi, M; Otsuka, A; Yakushi, K; Yamochi, H

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 24 ) 3941 - 3948 2014年08月

ISSN: 1434-1948

DOI
Synthesis and magnetic properties of an annulated dinuclear copper(II) phthalocyanine peripherally having 2,6-dimethylphenoxy substituents

Ikeue, T; Sawada, N; Matsumoto, N; Miyazaki, A; Sugimori, T; Koikawa, M; Hiromitsu, I; Yoshino, K; … 全著者表示

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES 18 ( 8-9 ) 708 - 714 2014年08月

ISSN: 1088-4246

DOI
C5-Symmetric Chiral Corannulenes: Desymmetrization of Bowl Inversion Equilibrium via "Intramolecular" Hydrogen-Bonding Network

Kang, J; Miyajima, D; Itoh, Y; Mori, T; Tanaka, H; Yamauchi, M; Inoue, Y; Harada, S; Aida, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 30 ) 10640 - 10644 2014年07月30日

ISSN: 0002-7863

DOI
Acceleration of Self-Consistent Field Convergence in Ab Initio Molecular Dynamics Simulation with Multiconfigurational Wave Function

Okoshi, M; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 35 ( 20 ) 1473 - 1480 2014年07月30日

ISSN: 0192-8651

DOI
Amyloid Fibril Disruption by Ultrasonic Cavitation: Nonequilibrium Molecular Dynamics Simulations

Okumura, H; Itoh, SG

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 30 ) 10549 - 10552 2014年07月30日

ISSN: 0002-7863

DOI
Extension of Accompanying Coordinate Expansion and Recurrence Relation Method for General-Contraction Basis Sets

Hayami, M; Seino, J; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 35 ( 20 ) 1517 - 1527 2014年07月30日

ISSN: 0192-8651

DOI
Pba3-Pba4 heterodimer acts as a molecular matchmaker in proteasome α-ring formation

Takagi, K; Saeki, Y; Yashiroda, H; Yagi, H; Kaiho, A; Murata, S; Yamane, T; Tanaka, K; Mizushima, T … 全著者表示

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 450 ( 2 ) 1110 - 1114 2014年07月25日

ISSN: 0006-291X

DOI
Rate Enhancements in Structural Transformations of Pt-Co and Pt-Ni Bimetallic Cathode Catalysts in Polymer Electrolyte Fuel Cells Studied by in Situ Time-Resolved X-ray Absorption Fine Structure

Ishiguro, N; Kityakarn, S; Sekizawa, O; Uruga, T; Sasabe, T; Nagasawa, K; Yokoyama, T; Tada, M

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 29 ) 15874 - 15883 2014年07月24日

ISSN: 1932-7447

DOI
Axial ligand effects on the diradical characters and second hyperpolarizabilities of open-shell singlet transition-metal dinuclear complexes

Yamada, T; Takamuku, S; Matsui, H; Champagne, B; Nakano, M

CHEMICAL PHYSICS LETTERS 608 68 - 73 2014年07月21日

ISSN: 0009-2614

DOI
Electrochemical Behavior of Phosphine-Substituted Ruthenium(II) Polypyridine Complexes with a Single Labile Ligand

Nakamura, G; Okamura, M; Yoshida, M; Suzuki, T; Takagi, HD; Kondo, M; Masaoka, S

INORGANIC CHEMISTRY 53 ( 14 ) 7214 - 7226 2014年07月21日

ISSN: 0020-1669

DOI
Electronic Transitions in Conformationally Controlled Tetrasilanes with a Wide Range of SiSiSiSi Dihedral Angles

Tsuji, H; Fogarty, HA; Ehara, M; Fukuda, R; Casher, DL; Tamao, K; Nakatsuji, H; Michl, J

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 30 ) 9431 - 9441 2014年07月21日

ISSN: 0947-6539

DOI
Two Pentasilahousanes Fused Together

Tsurusaki, A; Koganezono, M; Otsuka, K; Ishida, S; Kyushin, S

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 30 ) 9263 - 9266 2014年07月21日

ISSN: 0947-6539

DOI
Variation of local magnetic environments in olivine-type compounds: Na0.7FePO4 and FePO4

Sugiyama, J; Nozaki, H; Harada, M; Higuchi, Y; Brewer, JH; Ansaldo, EJ; Kobayashi, G; Kanno, R

PHYSICAL REVIEW B 90 ( 1 ) 2014年07月21日

ISSN: 2469-9950

DOI
Photoelectric Covalent Organic Frameworks: Converting Open Lattices into Ordered Donor-Acceptor Heterojunctions

Chen, L; Furukawa, K; Gao, J; Nagai, A; Nakamura, T; Dong, YP; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 28 ) 9806 - 9809 2014年07月16日

ISSN: 0002-7863

DOI
Transformation Between α-Helix and β-Sheet Structures of One and Two Polyglutamine Peptides in Explicit Water Molecules by Replica-Exchange Molecular Dynamics Simulations

Chiang, HL; Chen, CJ; Okumura, H; Hu, CK

JOURNAL OF COMPUTATIONAL CHEMISTRY 35 ( 19 ) 1430 - 1437 2014年07月15日

ISSN: 0192-8651

DOI
Identification of Functional Amino Acid Residues Involved in Polyamine and Agmatine Transport by Human Organic Cation Transporter 2

Higashi, K; Imamura, M; Fudo, S; Uemura, T; Saiki, R; Hoshino, T; Toida, T; Kashiwagi, K; Igarashi, … 全著者表示

PLOS ONE 9 ( 7 ) 2014年07月14日

ISSN: 1932-6203

DOI
Esterification of Indoline-Based Small-Molecule Donors for Efficient Co-evaporated Organic Photovoltaics

Wang, ZQ; Wang, XF; Yokoyama, D; Sasabe, H; Kido, J; Liu, ZY; Tian, WJ; Kitao, O; Ikeuchi, T; Sasak … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 27 ) 14785 - 14794 2014年07月10日

ISSN: 1932-7447

DOI
Local Structure and Dynamics of Serine in the Heterogeneous Structure of the Crystalline Domain of Bombyx mori Silk Fibroin in Silk II Form Studied by 2D 13C-13C Homonuclear Correlation NMR and Relaxation Time Observation

Okushita, K; Asano, A; Williamson, MP; Asakura, T

MACROMOLECULES 47 ( 13 ) 4308 - 4316 2014年07月08日

ISSN: 0024-9297

DOI
Self-assembly of the chaperonin GroEL nanocage induced at submicellar detergent

Chen, J; Yagi, H; Furutani, Y; Nakamura, T; Inaguma, A; Guo, H; Kong, Y; Goto, Y

SCIENTIFIC REPORTS 4 2014年07月08日

ISSN: 2045-2322

DOI
Cathode Composition Dependence of Battery Performance of Polyoxometalate (POM) Molecular Cluster Batteries

Wang, H; Yamada, T; Hamanaka, S; Yoshikawa, H; Awaga, K

CHEMISTRY LETTERS 43 ( 7 ) 1067 - 1069 2014年07月05日

ISSN: 0366-7022

DOI
In Situ Picosecond XAFS Study of an Excited State of Tungsten Oxide

Uemura, Y; Uehara, H; Niwa, Y; Nozawa, S; Sato, T; Adachi, S; Ohtani, B; Takakusagi, S; Asakura, K

CHEMISTRY LETTERS 43 ( 7 ) 977 - 979 2014年07月05日

ISSN: 0366-7022

DOI
Efficient algorithms for semiclassical instanton calculations based on discretized path integrals

Kawatsu, T; Miura, S

JOURNAL OF CHEMICAL PHYSICS 141 ( 2 ) 2014年07月

ISSN: 0021-9606

DOI
Iron-Catalyzed Green Synthesis of 2-Alkenylazaarenes

Liu, SS; Jiang, K; Pi, DW; Zhou, HF; Uozumi, Y; Zou, K

CHINESE JOURNAL OF ORGANIC CHEMISTRY 34 ( 7 ) 1369 - 1375 2014年07月

ISSN: 0253-2786

DOI
Mapping of band-bending for doped C60 films

Shinmura, Y; Yoshioka, T; Kaji, T; Hiramoto, M

APPLIED PHYSICS EXPRESS 7 ( 7 ) 2014年07月

ISSN: 1882-0778

DOI
Mechanistic insights into the catalytic reaction of plant allene oxide synthase (pAOS) via QM and QM/MM calculations

Somboon, T; Ochiai, J; Treesuwan, W; Gleeson, MP; Hannongbua, S; Mori, S

JOURNAL OF MOLECULAR GRAPHICS & MODELLING 52 20 - 29 2014年07月

ISSN: 1093-3263

DOI
Conformational and nuclear dynamics effects in molecular Auger spectra: fluorine core-hole decay in CF4

Arion, T; Takahashi, O; Püttner, R; Ulrich, V; Barth, S; Lischke, T; Bradshaw, AM; Förstel, M; Herg … 全著者表示

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 47 ( 12 ) 2014年06月28日

ISSN: 0953-4075

DOI
DFT Studies of Mechanism and Origin of Stereoselectivity of Palladium-Catalyzed Cyclotrimerization Reactions Affording syn-Tris(norborneno)benzenes

Yamanaka, M; Morishima, M; Shibata, Y; Higashibayashi, S; Sakurai, H

ORGANOMETALLICS 33 ( 12 ) 3060 - 3068 2014年06月23日

ISSN: 0276-7333

DOI
Mechanisms of f-f hypersensitive transition intensities of lanthanide trihalide molecules: a spin-orbit configuration interaction study

Hatanaka, M; Yabushita, S

THEORETICAL CHEMISTRY ACCOUNTS 133 ( 8 ) 2014年06月21日

ISSN: 1432-881X

DOI
Multi-wall effects on the thermal transport properties of nanotube structures

Hata, T; Kawai, H; Jono, R; Yamashita, K

NANOTECHNOLOGY 25 ( 24 ) 2014年06月20日

ISSN: 0957-4484

DOI
Au25 Clusters Containing Unoxidized Tellurolates in the Ligand Shell

Kurashige, W; Yamazoe, S; Yamaguchi, M; Nishido, K; Nobusada, K; Tsukuda, T; Negishi, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 5 ( 12 ) 2072 - 2076 2014年06月19日

ISSN: 1948-7185

DOI
Raman Optical Activity of a Cyclic Dipeptide Analyzed by Quantum Chemical Calculations Combined with Molecular Dynamics Simulations

Urago, H; Suga, T; Hirata, T; Kodama, H; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 24 ) 6767 - 6774 2014年06月19日

ISSN: 1520-6106

DOI
Electrochemical response of metal complexes in homogeneous solution under photoirradiation

Fukatsu, A; Kondo, M; Okamura, M; Yoshida, M; Masaoka, S

SCIENTIFIC REPORTS 4 2014年06月17日

ISSN: 2045-2322

DOI
Metal-Porphyrin: A Potential Catalyst for Direct Decomposition of N2O by Theoretical Reaction Mechanism Investigation

Maitarad, P; Namuangruk, S; Zhang, DS; Shi, LY; Li, HR; Huang, L; Boekfa, B; Ehara, M

ENVIRONMENTAL SCIENCE & TECHNOLOGY 48 ( 12 ) 7101 - 7110 2014年06月17日

ISSN: 0013-936X

DOI
Design and Synthesis of Perpendicularly Connected Metal Porphyrin-Imide Dyads for Two-Terminal Wired Single Molecular Diodes

Handayani, M; Gohda, S; Tanaka, D; Ogawa, T

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 25 ) 7655 - 7664 2014年06月16日

ISSN: 0947-6539

DOI
Facile Synthesis of Dibenzopentalene Dianions and Their Application as New π-Extended Ligands

Kuwabara, T; Ishimura, K; Sasamori, T; Tokitoh, N; Saito, M

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 25 ) 7571 - 7575 2014年06月16日

ISSN: 0947-6539

DOI
Redox Chemistry of Nickel(II) Complexes Supported by a Series of Noninnocent β-Diketiminate Ligands

Takaichi, J; Morimoto, Y; Ohkubo, K; Shimokawa, C; Hojo, T; Mori, S; Asahara, H; Sugimoto, H; Fujie … 全著者表示

INORGANIC CHEMISTRY 53 ( 12 ) 6159 - 6169 2014年06月16日

ISSN: 0020-1669

DOI
On the Induced- Fit Mechanism of Substrate- Enzyme Binding Structures of Nylon- Oligomer Hydrolase

Baba, T; Harada, R; Nakano, M; Shigeta, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 35 ( 16 ) 1240 - 1247 2014年06月15日

ISSN: 0192-8651

DOI
Theoretical Studies of Rhodium-Catalyzed Borylation of Nitriles through Cleavage of Carbon-Cyano Bonds

Kinuta, H; Takahashi, H; Tobisu, M; Mori, S; Chatani, N

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 6 ) 655 - 669 2014年06月15日

ISSN: 0009-2673

DOI
Transient response of relativistic electron bunches to wave-number selected perturbations near the micro-bunching instability threshold

Roussel, E; Evain, C; Le Parquier, M; Szwaj, C; Bielawski, S; Hosaka, M; Yamamoto, N; Takashima, Y; … 全著者表示

NEW JOURNAL OF PHYSICS 16 2014年06月13日

ISSN: 1367-2630

DOI
Cation Role in Structural and Electronic Properties of 3D Organic-Inorganic Halide Perovskites: A DFT Analysis

Giorgi, G; Fujisawa, JI; Segawa, H; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 23 ) 12176 - 12183 2014年06月12日

ISSN: 1932-7447

DOI
Electronic Structures of Platinum(II) Complexes with 2-Arylpyridine and 1,3-Diketonate Ligands: A Relativistic Density Functional Study on Photoexcitation and Phosphorescent Properties

Tanaka, M; Mori, H

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 23 ) 12443 - 12449 2014年06月12日

ISSN: 1932-7447

DOI
Excited States of a Significantly Ruffled Porphyrin: Computational Study on Structure-Induced Rapid Decay Mechanism via Intersystem Crossing

Bai, FQ; Nakatani, N; Nakayama, A; Hasegawa, JY

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 23 ) 4184 - 4194 2014年06月12日

ISSN: 1089-5639

DOI
Metallic and Mott Insulating Spin-Frustrated Antiferromagnetic States in Ionic Fullerene Complexes with a Two-Dimensional Hexagonal C60•- Packing Motif

Konarev, DV; Khasanov, SS; Otsuka, A; Maesato, M; Uruichi, M; Yakushi, K; Shevchun, AF; Yamochi, H; … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 20 ( 24 ) 7268 - 7277 2014年06月10日

ISSN: 0947-6539

DOI
Dynamics of oxygen Rydberg atom generation following O 1s inner-shell excitation of H2O

Gejo, T; Ikegami, T; Honma, K; Takahashi, O; Shigemasa, E; Hikosaka, Y; Tamenori, Y

JOURNAL OF CHEMICAL PHYSICS 140 ( 21 ) 2014年06月07日

ISSN: 0021-9606

DOI
Visualization of the Heterogeneity of Cerium Oxidation States in Single Pt/Ce2Zr2Ox Catalyst Particles by Nano-XAFS

Ishiguro, N; Uruga, T; Sekizawa, O; Tsuji, T; Suzuki, M; Kawamura, N; Mizumaki, M; Nitta, K; Yokoya … 全著者表示

CHEMPHYSCHEM 15 ( 8 ) 1563 - 1568 2014年06月06日

ISSN: 1439-4235

DOI
Dendritic Tetrathiafulvalene Pentamers Linked by Methylenedithio Spacers

Kimura, H; Konishi, K; Muraoka, S; Shirahata, T; Misaki, Y

CHEMISTRY LETTERS 43 ( 6 ) 843 - 845 2014年06月05日

ISSN: 0366-7022

DOI
Isomer Separation of Iron Oxide Cluster Cations by Ion Mobility Mass Spectrometry

Ohshimo, K; Komukai, T; Moriyama, R; Misaizu, F

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 22 ) 3899 - 3905 2014年06月05日

ISSN: 1089-5639

DOI
Theoretical Investigation on the Optical Properties of Diphosphine-protected Au8 Cluster Complexes

Hayashi, S; Tada, K; Sakata, K; Koga, H; Yamanaka, S; Kawakami, T; Kitagawa, Y; Okumura, M

CHEMISTRY LETTERS 43 ( 6 ) 880 - 882 2014年06月05日

ISSN: 0366-7022

DOI
Ultrabright continuously tunable terahertz-wave generation at room temperature

Hayashi, S; Nawata, K; Taira, T; Shikata, J; Kawase, K; Minamide, H

SCIENTIFIC REPORTS 4 2014年06月05日

ISSN: 2045-2322

DOI
Strain-Tunable Superconducting Field-Effect Transistor with an Organic Strongly-Correlated Electron System

Suda, M; Kawasugi, Y; Minari, T; Tsukagoshi, K; Kato, R; Yamamoto, HM

ADVANCED MATERIALS 26 ( 21 ) 3490 - 3495 2014年06月04日

ISSN: 0935-9648

DOI
Accuracy of solvation free energy calculated by hypernetted chain and Kovalenko-Hirata approximations for two-component system of Lennard-Jones liquid

Miyata, T; Thapa, J

CHEMICAL PHYSICS LETTERS 604 122 - 126 2014年06月03日

ISSN: 0009-2614

DOI
Magneto-optic spatial light modulator with submicron-size magnetic pixels for wide-viewing-angle holographic displays

Takagi, H; Nakamura, K; Goto, T; Lim, PB; Inoue, M

OPTICS LETTERS 39 ( 11 ) 3344 - 3347 2014年06月01日

ISSN: 0146-9592

DOI
Adsorption and Catalytic Activation of the Molecular Oxygen on the Metal Supported h-BN

Lyalin, A; Nakayama, A; Uosaki, K; Taketsugu, T

TOPICS IN CATALYSIS 57 ( 10-13 ) 1032 - 1041 2014年06月

ISSN: 1022-5528

DOI
Direct Introduction of OH Group to sp2-Carbon on Platinum-Loaded Titanium Oxide Photocatalyst

Yuzawa, H; Yoshida, H

TOPICS IN CATALYSIS 57 ( 10-13 ) 984 - 994 2014年06月

ISSN: 1022-5528

DOI
Enhanced expression of the β4-galactosyltransferase 2 gene impairs mammalian tumor growth

Tagawa, M; Shirane, K; Yu, L; Sato, T; Furukawa, S; Mizuguchi, H; Kuji, R; Kawamura, K; Takahashi, … 全著者表示

CANCER GENE THERAPY 21 ( 6 ) 219 - 227 2014年06月

ISSN: 0929-1903

DOI
In Situ Time-Resolved XAFS of Transitional States of Pt/C Cathode Electrocatalyst in an MEA During PEFC Loading with Transient Voltages

Kityakarn, S; Saida, T; Sode, A; Ishiguro, N; Sekizawa, O; Uruga, T; Nagasawa, K; Yamamoto, T; Yoko … 全著者表示

TOPICS IN CATALYSIS 57 ( 10-13 ) 903 - 910 2014年06月

ISSN: 1022-5528

DOI
Influence of Metal-Peptide Complexation on Fragmentation and Inter-Fragment Hydrogen Migration in Electron Transfer Dissociation

Asakawa, D; Takeuchi, T; Yamashita, A; Wada, Y

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY 25 ( 6 ) 1029 - 1039 2014年06月

ISSN: 1044-0305

DOI
Oxidative Coupling of Organoboron Compounds

Dhital, RN; Sakurai, H

ASIAN JOURNAL OF ORGANIC CHEMISTRY 3 ( 6 ) 668 - 684 2014年06月

ISSN: 2193-5807

DOI
Real-Time Waveform Characterization by Using Frequency-Resolved Optical Gating Capable of Carrier-Envelope Phase Determination

Shirai, H; Nomura, Y; Fuji, T

IEEE PHOTONICS JOURNAL 6 ( 3 ) 2014年06月

ISSN: 1943-0655

DOI
Recent advances in glycoprotein production for structural biology: toward tailored design of glycoforms

Kamiya, Y; Satoh, T; Kato, K

CURRENT OPINION IN STRUCTURAL BIOLOGY 26 44 - 53 2014年06月

ISSN: 0959-440X

DOI
Soft X-ray photoelectron spectroscopy study of Fe2P(0001)

Sugizaki, Y; Ishida, S; Kakefuda, Y; Edamoto, K; Matsunami, M; Hajiri, T; Kimura, S

SURFACE SCIENCE 624 21 - 24 2014年06月

ISSN: 0039-6028

DOI
Substitution Mechanism of Mn and Fe Ions in Bi4Ti3O12

Nishimura, K; Yoshioka, T; Yamamoto, T

IEEE TRANSACTIONS ON MAGNETICS 50 ( 6 ) 2014年06月

ISSN: 0018-9464

DOI
Synthesis of thermally stable, wholly aromatic polyketones with 2,2′-dimethoxy-1,1′-binaphthyl-6,6′-diyl units through nanosized-palladium-cluster-catalyzed Suzuki-Miyaura coupling polymerization

Maeyama, K; Suzuki, M; Tsukamoto, T; Higashibayashi, S; Sakurai, H

REACTIVE & FUNCTIONAL POLYMERS 79 24 - 28 2014年06月

ISSN: 1381-5148

DOI
Synthesis, Characterization, and Properties of [4]Cyclo-2,7-pyrenylene: Effects of Cyclic Structure on the Electronic Properties of Pyrene Oligomers

Iwamoto, T; Kayahara, E; Yasuda, N; Suzuki, T; Yamago, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53 ( 25 ) 6430 - 6434 2014年06月

ISSN: 1433-7851

DOI
X-ray detection capability of a Cs2ZnCl4 single-crystal scintillator

Yahaba, N; Koshimizu, M; Sun, Y; Yanagida, T; Fujimoto, Y; Haruki, R; Nishikido, F; Kishimoto, S; A … 全著者表示

APPLIED PHYSICS EXPRESS 7 ( 6 ) 2014年06月

ISSN: 1882-0778

DOI
Site-specific formation of metastable dications following inner-shell ionization of CO2

Hikosaka, Y; Shibata, Y; Soejima, K; Iwayama, H; Shigemasa, E

CHEMICAL PHYSICS LETTERS 603 46 - 50 2014年05月30日

ISSN: 0009-2614

DOI
Regioselectivity in multiple cycloadditions to fullerene C60: vibronic coupling density analysis

Haruta, N; Sato, T; Tanaka, K

TETRAHEDRON 70 ( 21 ) 3510 - 3513 2014年05月27日

ISSN: 0040-4020

DOI
A designed fluorescent anthracene derivative: Theory, calculation, synthesis, and characterization

Uejima, M; Sato, T; Detani, M; Wakamiya, A; Suzuki, F; Suzuki, H; Fukushima, T; Tanaka, K; Murata, … 全著者表示

CHEMICAL PHYSICS LETTERS 602 80 - 83 2014年05月20日

ISSN: 0009-2614

DOI
Fourier Transform Infrared Detection of a Polarizable Proton Trapped between Photooxidized Tyrosine Yz and a Coupled Histidine in Photosystem II: Relevance to the Proton Transfer Mechanism of Water Oxidation

Nakamura, S; Nagao, R; Takahashi, R; Noguchi, T

BIOCHEMISTRY 53 ( 19 ) 3131 - 3144 2014年05月20日

ISSN: 0006-2960

DOI
Plasmon modes in single gold nanodiscs

Imura, K; Ueno, K; Misawa, H; Okamoto, H; McArthur, D; Hourahine, B; Papoff, F

OPTICS EXPRESS 22 ( 10 ) 12189 - 12199 2014年05月19日

ISSN: 1094-4087

DOI
Sub-50-fs pulse generation from thulium-doped ZBLAN fiber laser oscillator

Nomura, Y; Fuji, T

OPTICS EXPRESS 22 ( 10 ) 12461 - 12466 2014年05月19日

ISSN: 1094-4087

DOI
Synthesis and Characterization of Novel Wells-Dawson-Type Mono Vanadium(V)-Substituted Tungsto-polyoxometalate Isomers: 1- and 4-[S2VW17O62]5-

Ueda, T; Ohnishi, M; Shiro, M; Nambu, J; Yonemura, T; Boas, JF; Bond, AM

INORGANIC CHEMISTRY 53 ( 10 ) 4891 - 4898 2014年05月19日

ISSN: 0020-1669

DOI
Intramolecular Charge Transfer Effects on the Diradical Character and Second Hyperpolarizabilities of Open-Shell Singlet X-π-X (X = Donor/Acceptor) Systems

Fukuda, K; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 19 ) 3463 - 3471 2014年05月15日

ISSN: 1089-5639

DOI
Massively-parallel electron dynamics calculations in real-time and real-space: Toward applications to nanostructures of more than ten-nanometers in size

Noda, M; Ishimura, K; Nobusada, K; Yabana, K; Boku, T

JOURNAL OF COMPUTATIONAL PHYSICS 265 145 - 155 2014年05月15日

ISSN: 0021-9991

DOI
Ultrafast Relaxation Dynamics in trans-1,3-Butadiene Studied by Time-Resolved Photoelectron Spectroscopy with High Harmonic Pulses

Makida, A; Igarashi, H; Fujiwara, T; Sekikawa, T; Harabuchi, Y; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 5 ( 10 ) 1760 - 1765 2014年05月15日

ISSN: 1948-7185

DOI
Bistable Multifunctionality and Switchable Strong Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional Rhodium(I)-Semiquinonato Complex

Mitsumi, M; Nishitani, T; Yamasaki, S; Shimada, N; Komatsu, Y; Toriumi, K; Kitagawa, Y; Okumura, M; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 19 ) 7026 - 7037 2014年05月14日

ISSN: 0002-7863

DOI
Characterization by Electrochemical and X-ray Photoelectron Spectroscopic Measurements and Quantum Chemical Calculations of N-Containing Functional Groups Introduced onto Glassy Carbon Electrode Surfaces by Electrooxidation of a Carbamate Salt in Aqueous Solutions

Kanazawa, A; Daisaku, T; Okajima, T; Uchiyama, S; Kawauchi, S; Ohsaka, T

LANGMUIR 30 ( 18 ) 5297 - 5305 2014年05月13日

ISSN: 0743-7463

DOI
Anomalous photoelectric emission from Ag on zinc-phthalocyanine film

Tanaka, S; Otani, T; Fukuzawa, K; Ogawa, K; Azuma, J; Yamamoto, I; Takahashi, K; Kamada, M; Hiromit … 全著者表示

APPLIED PHYSICS LETTERS 104 ( 19 ) 2014年05月12日

ISSN: 0003-6951

DOI
Reversibility of 1,4-Metal Migration in Cp*RhIII and Cp*IrIII Complexes

Ikeda, Y; Takano, K; Waragai, M; Kodama, S; Tsuchida, N; Takano, K; Ishii, Y

ORGANOMETALLICS 33 ( 9 ) 2142 - 2145 2014年05月12日

ISSN: 0276-7333

DOI
Stereographical visualization of a polarization state using weak measurements with an optical-vortex beam

Kobayashi, H; Nonaka, K; Shikano, Y

PHYSICAL REVIEW A 89 ( 5 ) 2014年05月12日

ISSN: 1050-2947

DOI
Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof

Uosaki, K; Elumalai, G; Noguchi, H; Masuda, T; Lyalin, A; Nakayama, A; Taketsugu, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 18 ) 6542 - 6545 2014年05月07日

ISSN: 0002-7863

DOI
Structural Basis for Proteasome Formation Controlled by an Assembly Chaperone Nas2

Satoh, T; Saeki, Y; Hiromoto, T; Wang, YH; Uekusa, Y; Yagi, H; Yoshihara, H; Yagi-Utsumi, M; Mizush … 全著者表示

STRUCTURE 22 ( 5 ) 731 - 743 2014年05月06日

ISSN: 0969-2126

DOI
Controlled Synthesis of Conjugated Microporous Polymer Films: Versatile Platforms for Highly Sensitive and Label- Free Chemo- and Biosensing

Gu, C; Huang, N; Gao, J; Xu, F; Xu, YH; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53 ( 19 ) 4850 - 4855 2014年05月05日

ISSN: 1433-7851

DOI
Cyclic TTF Tetramer Linked by Methylenedithio Spacers

Nakamura, K; Okada, Y; Shirahata, T; Misaki, Y

CHEMISTRY LETTERS 43 ( 5 ) 708 - 710 2014年05月05日

ISSN: 0366-7022

DOI
Exploration of Isomers of Benzene by GRRM/SCC-DFTB

Tokoyama, H; Yamakado, H; Maeda, S; Ohno, K

CHEMISTRY LETTERS 43 ( 5 ) 702 - 704 2014年05月05日

ISSN: 0366-7022

DOI
Molecular and Electronic Structure of Distannine-fused Tetrathiafulvalene Dimer and Its Cationic Species

Shirai, M; Hasegawa, M; Sato, H; Mazaki, Y

CHEMISTRY LETTERS 43 ( 5 ) 592 - 594 2014年05月05日

ISSN: 0366-7022

DOI
Theoretical Study on Alkoxydiphosphine Ligand for Bimetallic Cooperation in Nickel-catalyzed Monosubstitution of C-F Bond

Asako, S; Ilies, L; Verma, P; Ichikawa, S; Nakamura, E

CHEMISTRY LETTERS 43 ( 5 ) 726 - 728 2014年05月05日

ISSN: 0366-7022

DOI
Highly accurate interferometric evaluation of thermal expansion and dn/dT of optical materials

Sato, Y; Taira, T

OPTICAL MATERIALS EXPRESS 4 ( 5 ) 876 - 888 2014年05月01日

ISSN: 2159-3930

DOI
Aharonov-Bohm effect in the tunnelling of a quantum rotor in a linear Paul trap

Noguchi, A; Shikano, Y; Toyoda, K; Urabe, S

NATURE COMMUNICATIONS 5 2014年05月

ISSN: 2041-1723

DOI
Correlation between bowl-inversion energy and bowl depth in substituted sumanenes

Shrestha, BB; Karanjit, S; Higashibayashi, S; Sakurai, H

PURE AND APPLIED CHEMISTRY 86 ( 5 ) 747 - 753 2014年05月

ISSN: 0033-4545

DOI
Hydrogen-bonding changes of internal water molecules upon the actions of microbial rhodopsins studied by FTIR spectroscopy

Furutani, Y; Kandori, H

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1837 ( 5 ) 598 - 605 2014年05月

ISSN: 0005-2728

DOI
Property of the Valence-Bond Ordering in Molecular Superconductor with a Quasi-Triangular Lattice

Yamamoto, T; Nakazawa, Y; Tamura, M; Nakao, A; Fukaya, A; Kato, R; Yakushi, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 5 ) 2014年05月

ISSN: 0031-9015

DOI
Time-resolved photoluminescence spectroscopy of Ce:Gd3Al2Ga3O12 crystals

Satoh, A; Kitaura, M; Kamada, K; Ohnishi, A; Sasaki, M; Hara, K

JAPANESE JOURNAL OF APPLIED PHYSICS 53 ( 5 ) 2014年05月

ISSN: 0021-4922

DOI
Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic 2Σ and Vinyl Radicals as Test Cases

Lan, TN; Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10 ( 5 ) 1953 - 1967 2014年05月

ISSN: 1549-9618

DOI
Evolution from incoherent to coherent electronic states and its implications for superconductivity in FeTe1-xSex

Ieki, E; Nakayama, K; Miyata, Y; Sato, T; Miao, H; Xu, N; Wang, XP; Zhang, P; Qian, T; Richard, P; … 全著者表示

PHYSICAL REVIEW B 89 ( 14 ) 2014年04月28日

ISSN: 1098-0121

DOI
Circular Dichroism Spectra of Uridine Derivatives: ChiraSac Study

Miyahara, T; Nakatsuji, H; Wada, T

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 16 ) 2931 - 2941 2014年04月24日

ISSN: 1089-5639

DOI
Local Structures of Methanol-Water Binary Solutions Studied by Soft X-ray Absorption Spectroscopy

Nagasaka, M; Mochizuki, K; Leloup, V; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 16 ) 4388 - 4396 2014年04月24日

ISSN: 1520-6106

DOI
Theoretical Study of Water Cluster Catalyzed Decomposition of Formic Acid

Inaba, S

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 16 ) 3026 - 3038 2014年04月24日

ISSN: 1089-5639

DOI
Bacterial Nanometric Amorphous Fe-Based Oxide: A Potential Lithium-Ion Battery Anode Material

Hashimoto, H; Kobayashi, G; Sakuma, R; Fujii, T; Hayashi, N; Suzuki, T; Kanno, R; Takano, M; Takada … 全著者表示

ACS APPLIED MATERIALS & INTERFACES 6 ( 8 ) 5374 - 5378 2014年04月23日

ISSN: 1944-8244

DOI
Electronic Schrodinger equation with nonclassical nuclei

Suzuki, Y; Abedi, A; Maitra, NT; Yamashita, K; Gross, EKU

PHYSICAL REVIEW A 89 ( 4 ) 2014年04月21日

ISSN: 1050-2947

DOI
Temperature-dependent Raman and ultraviolet photoelectron spectroscopy studies on phase transition behavior of VO2 films with M1 and M2 phases

Okimura, K; Azhan, NH; Hajiri, T; Kimura, S; Zaghrioui, M; Sakai, J

JOURNAL OF APPLIED PHYSICS 115 ( 15 ) 2014年04月21日

ISSN: 0021-8979

DOI
Synthesis and Dimerization of Chloro[10]cycloparaphenylene: A Directly Connected Cycloparaphenylene Dimer

Ishii, Y; Matsuura, S; Segawa, Y; Itami, K

ORGANIC LETTERS 16 ( 8 ) 2174 - 2176 2014年04月18日

ISSN: 1523-7060

DOI
Cooperative H2 Activation at Ag Cluster/θ-Al2O3(110) Dual Perimeter Sites: A Density Functional Theory Study

Hirunsit, P; Shimizu, K; Fukuda, R; Namuangruk, S; Morikawa, Y; Ehara, M

JOURNAL OF PHYSICAL CHEMISTRY C 118 ( 15 ) 7996 - 8006 2014年04月17日

ISSN: 1932-7447

DOI
High-pressure synthesis and electrochemical properties of lithium transition metal oxides with layered rock-salt structure

Chang, HS; Kubota, K; Kobayashi, G; Hirayama, M; Kanno, R

JOURNAL OF POWER SOURCES 252 1 - 7 2014年04月15日

ISSN: 0378-7753

DOI
Substituent R-Effects on Intermolecular Resonance-Assisted Hydrogen (H) Bonds: Theoretical Analysis of Double H-Bonded Dimers of Carboxylic Acids

Tabayashi, K; Takahashi, O

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 4 ) 479 - 490 2014年04月15日

ISSN: 0009-2673

DOI
Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)-Si Bond Cleavage of Alkynylsilanes

Okuda, Y; Ishiguro, Y; Mori, S; Nakajima, K; Nishihara, Y

ORGANOMETALLICS 33 ( 7 ) 1878 - 1889 2014年04月14日

ISSN: 0276-7333

DOI
Columnar/herringbone dual crystal packing of pyrenylsumanene and its photophysical properties

Shrestha, BB; Higashibayashi, S; Sakurai, H

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 10 841 - 847 2014年04月11日

ISSN: 1860-5397

DOI
Structural tristability and deep Dirac states in bilayer silicene on Ag(111) surfaces

Guo, ZX; Oshiyama, A

PHYSICAL REVIEW B 89 ( 15 ) 2014年04月11日

ISSN: 1098-0121

DOI
The correlation between the ionic degree of covalent bond comprising polymer main chain and the ionic yield due to mechanical fracture

Sakaguchi, M; Makino, M; Ohura, T; Iwata, T

POLYMER 55 ( 8 ) 1917 - 1919 2014年04月10日

ISSN: 0032-3861

DOI
Time-Resolved IR Spectroscopy of 1,3-Dicyanophenylcyclopentane-1,3-diyl Diradicals: CN Stretching Wavenumber as a Vibrational Signature of Radical Character

Maeda, A; Oshita, T; Abe, M; Ishibashi, TA

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 14 ) 3991 - 3997 2014年04月10日

ISSN: 1520-6106

DOI
π-Conjugated Polymers Composed of BODIPY or Aza-BODIPY Derivatives Exhibiting High Electron Mobility and Low Threshold Voltage in Electron-Only Devices

Yoshii, R; Yamane, H; Nagai, A; Tanaka, K; Taka, H; Kita, H; Chujo, Y

MACROMOLECULES 47 ( 7 ) 2316 - 2323 2014年04月08日

ISSN: 0024-9297

DOI
First-principles study of carrier-induced ferromagnetism in bilayer and multilayer zigzag graphene nanoribbons

Sawada, K; Ishii, F; Saito, M

APPLIED PHYSICS LETTERS 104 ( 14 ) 2014年04月07日

ISSN: 0003-6951

DOI
Focus issue introduction: Advanced Solid-State Lasers (ASSL) 2013

Jeong, Y; Jiang, SB; Gallo, K; Südmeyer, T; Hehlen, M; Taira, T

OPTICS EXPRESS 22 ( 7 ) 8813 - 8820 2014年04月07日

ISSN: 1094-4087

DOI
Delayed Fluorescence Behaviors of Aminopyridine Oligomers: Azacalix[n](2,6)pyridines (n=3 and 4) and Their Linear Analog

Uchida, N; Sato, T; Kuwabara, J; Nishimura, Y; Kanbara, T

CHEMISTRY LETTERS 43 ( 4 ) 459 - 461 2014年04月05日

ISSN: 0366-7022

DOI
DFT and DFT-D studies on molecular structure of double-decker phthalocyaninato-terbium(III) complex

Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M

MOLECULAR PHYSICS 112 ( 7 ) 995 - 1001 2014年04月03日

ISSN: 0026-8976

DOI
Electron Localization of Polyoxomolybdates with ε-Keggin Structure Studied by Solid-State 95Mo NMR and DFT Calculation

Iijima, T; Yamase, T; Tansho, M; Shimizu, T; Nishimura, K

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 13 ) 2431 - 2441 2014年04月03日

ISSN: 1089-5639

DOI
Nylon-Oligomer Hydrolase Promoting Cleavage Reactions in Unnatural Amide Compounds

Kamiya, K; Baba, T; Boero, M; Matsui, T; Negoro, S; Shigeta, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 5 ( 7 ) 1210 - 1216 2014年04月03日

ISSN: 1948-7185

DOI
Interstitial Channels that Control Band Gaps and Effective Masses in Tetrahedrally Bonded Semiconductors

Matsushita, YI; Oshiyama, A

PHYSICAL REVIEW LETTERS 112 ( 13 ) 2014年04月02日

ISSN: 0031-9007

DOI
Surface characteristics and electrical properties of PMMA chips for incubation-type planar-patch-clamp biosensors

Obuliraj, S; Takada, N; Wang, ZH; Kobayashi, K; Nagaoka, Y; Kim, J; Suzuki, M; Hirose, Y; Utsumi, Y … 全著者表示

COLLOIDS AND SURFACES B-BIOINTERFACES 116 193 - 200 2014年04月01日

ISSN: 0927-7765

DOI
1H, 13C and 15N backbone resonance assignments of the monomeric human M-ficolin fibrinogen-like domain secreted by Brevibacillus choshinensis

Tanio, M; Kusunoki, H; Kohno, T

BIOMOLECULAR NMR ASSIGNMENTS 8 ( 1 ) 207 - 211 2014年04月

ISSN: 1874-2718

DOI
Affinity of HIV-1 antibody 2G12 with monosaccharides: A theoretical study based on explicit and implicit water models

Koyama, Y; Ueno-Noto, K; Takano, K

COMPUTATIONAL BIOLOGY AND CHEMISTRY 49 36 - 44 2014年04月

ISSN: 1476-9271

DOI
Application of Automated Reaction Path Search Methods to a Systematic Search of Single-Bond Activation Pathways Catalyzed by Small Metal Clusters: A Case Study on H-H Activation by Gold

Gao, M; Lyalin, A; Maeda, S; Taketsugu, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10 ( 4 ) 1623 - 1630 2014年04月

ISSN: 1549-9618

DOI
Coupling of Lever Arm Swing and Biased Brownian Motion in Actomyosin

Nie, QM; Togashi, A; Sasaki, TN; Takano, M; Sasai, M; Terada, TP

PLOS COMPUTATIONAL BIOLOGY 10 ( 4 ) 2014年04月

DOI
Einstein-Podolsky-Rosen-type quantum entanglement between coupled cavities

Hardal, AÜC; Müstecaplioglu, ÖE

PHYSICA SCRIPTA T160 2014年04月

ISSN: 0031-8949

DOI
Site-directed spin labeling-electron spin resonance mapping of the residues of cyanobacterial clock protein KaiA that are affected by KaiA-KaiC interaction

Ishii, K; Terauchi, S; Murakami, R; Swain, JV; Mutoh, R; Mino, H; Maki, K; Arata, T; Ishiura, M

GENES TO CELLS 19 ( 4 ) 297 - 324 2014年04月

ISSN: 1356-9597

DOI
Vacuum ultraviolet field emission lamp utilizing KMgF3 thin film phosphor

Yanagihara, M; Yusop, MZ; Tanemura, M; Ono, S; Nagami, T; Fukuda, K; Suyama, T; Yokota, Y; Yanagida … 全著者表示

APL MATERIALS 2 ( 4 ) 2014年04月

ISSN: 2166-532X

DOI
Electronic bands and excited states of III-V semiconductor polytypes with screened-exchange density functional calculations

Akiyama, T; Nakamura, K; Ito, T; Freeman, AJ

APPLIED PHYSICS LETTERS 104 ( 13 ) 2014年03月31日

ISSN: 0003-6951

DOI
Investigation of the structure and interaction of cellulose triacetate I crystal using ab initio calculations

Kobayashi, T; Hayakawa, D; Khishigjargal, T; Ueda, K

CARBOHYDRATE RESEARCH 388 61 - 66 2014年03月31日

ISSN: 0008-6215

DOI
Discrete-time quantum walk with feed-forward quantum coin

Shikano, Y; Wada, T; Horikawa, J

SCIENTIFIC REPORTS 4 2014年03月21日

ISSN: 2045-2322

DOI
Hydrogen-bonded frameworks of propylenediamine-N,N′-diacetic acid Pt(II) complexes, synthesis, structural characterization, and antitumor activity

El-ghamry, HA; Masaoka, S; Sakai, K

JOURNAL OF COORDINATION CHEMISTRY 67 ( 6 ) 943 - 955 2014年03月19日

ISSN: 0095-8972

DOI
A new variant of multicanonical Monte Carlo algorithm with specifying the temperature range and its application to the hydration free energy change of fluorinated methane derivatives

Doi, HD; Aida, M

CHEMICAL PHYSICS LETTERS 595 55 - 60 2014年03月18日

ISSN: 0009-2614

DOI
Open-shell characters and second hyperpolarizabilities for hexagonal graphene nanoflakes including boron nitride domains

Yoneda, K; Matsui, H; Fukuda, K; Takamuku, S; Kishi, R; Nakano, M

CHEMICAL PHYSICS LETTERS 595 220 - 225 2014年03月18日

ISSN: 0009-2614

DOI
Photoelectron spectra of thulium atoms encapsulated C82 fullerene, Tm2@C82 (III) and Tm2C2@C82 (III)

Miyazaki, T; Tokumoto, Y; Sumii, R; Yagi, H; Izumi, N; Shinohara, H; Hino, S

CHEMICAL PHYSICS 431 47 - 50 2014年03月18日

ISSN: 0301-0104

DOI
Fourier-transform microwave spectroscopy and determination of the three dimensional potential energy surface for Ar-CS

Niida, C; Nakajima, M; Sumiyoshi, Y; Ohshima, Y; Kohguchi, H; Endo, Y

JOURNAL OF CHEMICAL PHYSICS 140 ( 10 ) 2014年03月14日

ISSN: 0021-9606

DOI
Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer

Sharma, S; Yanai, T; Booth, GH; Umrigar, CJ; Chan, GKL

JOURNAL OF CHEMICAL PHYSICS 140 ( 10 ) 2014年03月14日

ISSN: 0021-9606

DOI
Focus issue introduction: Laser Ignition Conference

Taira, T; Furutani, H; Guo, CL; Wintner, E; Akamatsu, F; Lucht, R; Washio, K

OPTICS EXPRESS 22 ( 5 ) A564 - A566 2014年03月10日

ISSN: 1094-4087

DOI
Theoretical Study on the Ligand Exchange Reactions of Hypervalent Antimony and Tellurium Compounds

Kobayashi, M; Akiba, K

ORGANOMETALLICS 33 ( 5 ) 1218 - 1226 2014年03月10日

ISSN: 0276-7333

DOI
Radically Different Thioredoxin Domain Arrangement of ERp46, an Efficient Disulfide Bond Introducer of the Mammalian PDI Family

Kojima, R; Okumura, M; Masui, S; Kanemura, S; Inoue, M; Saiki, M; Yamaguchi, H; Hikima, T; Suzuki, … 全著者表示

STRUCTURE 22 ( 3 ) 431 - 443 2014年03月04日

ISSN: 0969-2126

DOI
Effective terahertz-to-near-infrared photon conversion in slant-stripe-type periodically poled LiNbO3

Nawata, K; Notake, T; Ishizuki, H; Qi, F; Takida, Y; Fan, S; Hayashi, S; Taira, T; Minamide, H

APPLIED PHYSICS LETTERS 104 ( 9 ) 2014年03月03日

ISSN: 0003-6951

DOI
Chiroptical Properties and the Racemization of Pyrene and Tetrathiafulvalene-Substituted Allene: Substitution and Solvent Effects on Racemization in Tetrathiafulvalenylallene

Hasegawa, M; Iwata, S; Sone, Y; Endo, J; Matsuzawa, H; Mazaki, Y

MOLECULES 19 ( 3 ) 2829 - 2841 2014年03月

DOI
Computational Study on the Mechanism of the Electron-Transfer-Induced Repair of the (6-4) T-T Photoproduct of DNA by Photolyase: Possibility of a Radical Cation Pathway

Matsubara, T; Araida, N; Hayashi, D; Yamada, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 3 ) 390 - 399 2014年03月

ISSN: 0009-2673

DOI
Cooperative Contributions of the Intermolecular Charge Fluxes and Intramolecular Polarizations in the Far-Infrared Spectral Intensities of Liquid Water

Torii, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10 ( 3 ) 1219 - 1227 2014年03月

ISSN: 1549-9618

DOI
Design and performance of a new VIS-VUV photoluminescence beamline at UVSOR-III

Fukui, K; Ikematsu, R; Imoto, Y; Kitaura, M; Nakagawa, K; Ejima, T; Nakamura, E; Sakai, M; Hasumoto … 全著者表示

JOURNAL OF SYNCHROTRON RADIATION 21 452 - 455 2014年03月

ISSN: 0909-0495

DOI
Development of an X-ray pixel detector with multi-port charge-coupled device for X-ray free-electron laser experiments

Kameshima, T; Ono, S; Kudo, T; Ozaki, K; Kirihara, Y; Kobayashi, K; Inubushi, Y; Yabashi, M; Horigo … 全著者表示

REVIEW OF SCIENTIFIC INSTRUMENTS 85 ( 3 ) 2014年03月

ISSN: 0034-6748

DOI
Doping and alloying in atomically precise gold nanoparticles

Jin, RC; Nobusada, K

NANO RESEARCH 7 ( 3 ) 285 - 300 2014年03月

ISSN: 1998-0124

DOI
Fine-Tuning of Magnetic Interactions in Organic Spin Ladders

Yamaguchi, H; Miyagai, H; Shimokawa, T; Iwase, K; Ono, T; Kono, Y; Kase, N; Araki, K; Kittaka, S; S … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 3 ) 2014年03月

ISSN: 0031-9015

DOI
Improvements in the performance of an incubation-type planar patch clamp biosensor using a salt bridge electrode and a plastic (PMMA) substrate

Uno, H; Wang, ZH; Nagaoka, Y; Takada, N; Obuliraj, S; Kobayashi, K; Ishizuka, T; Yawo, H; Komatsu, … 全著者表示

SENSORS AND ACTUATORS B-CHEMICAL 193 660 - 668 2014年03月

ISSN: 0925-4005

DOI
Near- IR Sensitization of Dye- Sensitized Solar Cells Using Thiocyanate- Free Cyclometalated Ruthenium( II) Complexes Having a Pyridylquinoline Ligand

Funaki, T; Kusama, H; Onozawa-Komatsuzaki, N; Kasuga, K; Sayama, K; Sugihara, H

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2014 ( 8 ) 1303 - 1311 2014年03月

ISSN: 1434-1948

DOI
Theoretical Study of One-Electron Oxidized Mn(III)- and Ni(II)-Salen Complexes: Localized vs Delocalized Ground and Excited States in Solution

Aono, S; Nakagaki, M; Kurahashi, T; Fujii, H; Sakaki, S

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10 ( 3 ) 1062 - 1073 2014年03月

ISSN: 1549-9618

DOI
Gradient of molecular Hartree-Fock-Bogoliubov energy with a linear combination of atomic orbital quasiparticle wave functions

Kobayashi, M

JOURNAL OF CHEMICAL PHYSICS 140 ( 8 ) 2014年02月28日

ISSN: 0021-9606

DOI
Phosphorescence of Ce-doped Gd3Al2Ga3O12 crystals studied using luminescence spectroscopy

Kitaura, M; Sato, A; Kamada, K; Ohnishi, A; Sasaki, M

JOURNAL OF APPLIED PHYSICS 115 ( 8 ) 2014年02月28日

ISSN: 0021-8979

DOI
Enhancement of fluorescence in anthracene by chlorination: Vibronic coupling and transition dipole moment density analysis

Uejima, M; Sato, T; Tanaka, K; Kaji, H

CHEMICAL PHYSICS 430 47 - 55 2014年02月17日

ISSN: 0301-0104

DOI
Analysis of water molecules around GTP in Hras-GTP complex and GDP in Hras-GDP complex by molecular dynamics simulations

Miyakawa, T; Morikawa, R; Takasu, M; Sugimori, K; Kawaguchi, K; Saito, H; Nagao, H

MOLECULAR PHYSICS 112 ( 3-4 ) 526 - 532 2014年02月16日

ISSN: 0026-8976

DOI
DFT calculations for Au adsorption onto a reduced TiO2 (110) surface with the coexistence of Cl

Tada, K; Sakata, K; Yamada, S; Okazaki, K; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M

MOLECULAR PHYSICS 112 ( 3-4 ) 365 - 378 2014年02月16日

ISSN: 0026-8976

DOI
DFT calculations for aerobic oxidation of alcohols over neutral Au6 cluster

Sakata, K; Tada, K; Yamada, S; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M

MOLECULAR PHYSICS 112 ( 3-4 ) 385 - 392 2014年02月16日

ISSN: 0026-8976

DOI
Density functional study of the phosphate diester hydrolysis of RNA in RNA/DNA hybrid by RNase HI

Kita, M; Nakamura, H; Takano, Y

MOLECULAR PHYSICS 112 ( 3-4 ) 355 - 364 2014年02月16日

ISSN: 0026-8976

DOI
Theory of chemical bonds in metalloenzymes XIX: labile manganese oxygen bonds of the CaMn4O5 cluster in oxygen evolving complex of photosystem II

Yamaguchi, K; Yamanaka, S; Shoji, M; Isobe, H; Kitagawa, Y; Kawakami, T; Yamada, S; Okumura, M

MOLECULAR PHYSICS 112 ( 3-4 ) 485 - 507 2014年02月16日

ISSN: 0026-8976

DOI
Preparation of Agcore/Aushell bimetallic nanoparticles from physical mixtures of Au clusters and Ag ions under dark conditions and their catalytic activity for aerobic glucose oxidation

Zhang, HJ; Toshima, N; Takasaki, K; Okumura, M

JOURNAL OF ALLOYS AND COMPOUNDS 586 462 - 468 2014年02月15日

ISSN: 0925-8388

DOI
Theoretical Study on Intermolecular Interactions in Complexes of Cyclodextrins with Bile Acids: DFT and Ab Initio Fragment Molecular Orbital Calculations

Yao, L; Mori, Y; Takano, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 2 ) 258 - 266 2014年02月15日

ISSN: 0009-2673

DOI
Theoretical Study on the Selective Fluorescence of PicoGreen: Binding Models and Photophysical Properties

Okoshi, M; Saparpakorn, P; Takada, Y; Hannongbua, S; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 2 ) 267 - 273 2014年02月15日

ISSN: 0009-2673

DOI
Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach

Fukuda, R; Ehara, M; Cammi, R

JOURNAL OF CHEMICAL PHYSICS 140 ( 6 ) 2014年02月14日

ISSN: 0021-9606

DOI
Ab Initio Studies on the Photophysics of Uric Acid and Its Monohydrates: Role of the Water Molecule

Yamazaki, S; Urashima, S; Saigusa, H; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 6 ) 1132 - 1141 2014年02月13日

ISSN: 1089-5639

DOI
Electron-electron and electron-phonon correlation effects on the finite-temperature electronic and optical properties of zinc-blende GaN

Kawai, H; Yamashita, K; Cannuccia, E; Marini, A

PHYSICAL REVIEW B 89 ( 8 ) 2014年02月13日

ISSN: 2469-9950

DOI
The Early Steps in the Photocycle of a Photosensor Protein Sensory Rhodopsin I from Salinibacter ruber

Sudo, Y; Mizuno, M; Wei, ZR; Takeuchi, S; Tahara, T; Mizutani, Y

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 6 ) 1510 - 1518 2014年02月13日

ISSN: 1520-6106

DOI
Novel [2 + 1] Concerted Reaction Path for Disilacyclobutenes with Acetylene

Hayashi, Y; Natsumeda, T; Otsu, S; Yamada, R; Naka, A; Ishikawa, M; Yamabe, T; Kawauchi, S

ORGANOMETALLICS 33 ( 3 ) 763 - 770 2014年02月10日

ISSN: 0276-7333

DOI
Resonant multiple Auger decay after the 2p3/2-1 4s excitation in Ar studied with a multielectron coincidence method

Hikosaka, Y; Lablanquie, P; Penent, F; Selles, P; Shigemasa, E; Ito, K

PHYSICAL REVIEW A 89 ( 2 ) 2014年02月10日

ISSN: 1050-2947

DOI
Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes

Harris, TV; Kurashige, Y; Yanai, T; Morokuma, K

JOURNAL OF CHEMICAL PHYSICS 140 ( 5 ) 2014年02月07日

ISSN: 0021-9606

DOI
Unraveling Organocuprate Complexity: Fundamental Insights into Intrinsic Group Transfer Selectivity in Alkylation Reactions

Rijs, NJ; Yoshikai, N; Nakamura, E; O'Hair, RAJ

JOURNAL OF ORGANIC CHEMISTRY 79 ( 3 ) 1320 - 1334 2014年02月07日

ISSN: 0022-3263

DOI
Angle-resolved photoemission study of the electronic structure of the quantum spin liquid EtMe3Sb[Pd(dmit)2]2

Ge, QQ; Xu, HC; Shen, XP; Xia, M; Xie, BP; Chen, F; Zhang, Y; Kato, R; Tsumuraya, T; Miyazaki, T; M … 全著者表示

PHYSICAL REVIEW B 89 ( 7 ) 2014年02月05日

ISSN: 1098-0121

DOI
Direct Pathway for Water-Gas Shift Reaction in Gas Phase

Harabuchi, Y; Maeda, S; Taketsugu, T; Ohno, K

CHEMISTRY LETTERS 43 ( 2 ) 193 - 195 2014年02月05日

ISSN: 0366-7022

DOI
In Situ Live Observation of Nucleation and Dissolution of Sodium Chlorate Nanoparticles by Transmission Electron Microscopy

Kimura, Y; Niinomi, H; Tsukamoto, K; García-Ruiz, JM

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136 ( 5 ) 1762 - 1765 2014年02月05日

ISSN: 0002-7863

DOI
Nonlinear photocurrent with a threshold of excitation density induced by the long-range electron-electron interaction in the charge-ordered molecular conductor (BEDT-TTF)3(ClO4)2

Takubo, N; Tajima, N; Yamamoto, HM; Kato, R

JOURNAL OF PHYSICS-CONDENSED MATTER 26 ( 5 ) 2014年02月05日

ISSN: 0953-8984

DOI
Magic angle and height quantization in nanofacets on SiC(0001) surfaces

Sawada, K; Iwata, JI; Oshiyama, A

APPLIED PHYSICS LETTERS 104 ( 5 ) 2014年02月03日

ISSN: 0003-6951

DOI
Structural Basis for Disparate Sugar-Binding Specificities in the Homologous Cargo Receptors ERGIC-53 and VIP36

Satoh, T; Suzuki, K; Yamaguchi, T; Kato, K

PLOS ONE 9 ( 2 ) 2014年02月03日

ISSN: 1932-6203

DOI
Evolution of the Impurity Band to Diamond-Like Valence Bands in Boron Doped Diamond

Inushima, T; Ota, Y; Shiomi, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 2 ) 2014年02月

ISSN: 0031-9015

DOI
Identification of novel candidate compounds targeting TrkB to induce apoptosis in neuroblastoma

Nakamura, Y; Suganami, A; Fukuda, M; Hasan, MK; Yokochi, T; Takatori, A; Satoh, S; Hoshino, T; Tamu … 全著者表示

CANCER MEDICINE 3 ( 1 ) 25 - 35 2014年02月

ISSN: 2045-7634

DOI
Jahn-Teller Instability of Icosahedral [W@Au12]-

Sato, T; Lijnen, E; Ceulemans, A

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10 ( 2 ) 613 - 622 2014年02月

ISSN: 1549-9618

DOI
Manifold Correction Method for the Nose-Hoover and Nose-Poincare Molecular Dynamics Simulations

Okumura, H; Itoh, SG; Ito, AM; Nakamura, H; Fukushima, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 2 ) 2014年02月

ISSN: 0031-9015

DOI
Prediction of cellulose nanotube models through density functional theory calculations

Uto, T; Miyata, T; Yui, T

CELLULOSE 21 ( 1 ) 87 - 95 2014年02月

ISSN: 0969-0239

DOI
Formation of host-guest complexes on gold surface investigated by surface-enhanced IR absorption spectroscopy

Inokuchi, Y; Mizuuchi, T; Ebata, T; Ikeda, T; Haino, T; Kimura, T; Guo, H; Furutani, Y

CHEMICAL PHYSICS LETTERS 592 90 - 95 2014年01月30日

ISSN: 0009-2614

DOI
Frozen core potential scheme with a relativistic electronic Hamiltonian: Theoretical connection between the model potential and all-electron treatments

Seino, J; Tarumi, M; Nakai, H

CHEMICAL PHYSICS LETTERS 592 341 - 348 2014年01月30日

ISSN: 0009-2614

DOI
Quasiclassical trajectory study of energy relaxation process in collision of highly vibrationally excited O2 and ground-state N2

Ohkubo, Y; Kawano, A; Orimoto, M; Takahashi, O; Yamasaki, K

CHEMICAL PHYSICS LETTERS 592 64 - 68 2014年01月30日

ISSN: 0009-2614

DOI
Close Identity between Alternatively Folded State N2 of Ubiquitin and the Conformation of the Protein Bound to the Ubiquitin-Activating Enzyme

Kitazawa, S; Kameda, T; Kumo, A; Yagi-Utsumi, M; Baxter, NJ; Kato, K; Williamson, MP; Kitahara, R

BIOCHEMISTRY 53 ( 3 ) 447 - 449 2014年01月28日

ISSN: 0006-2960

DOI
Diameter-selective alignment of carbon nanotubes on Si(001) stepped surfaces

Enkhtaivan, B; Yoshimura, M; Iwata, JI; Oshiyama, A

JOURNAL OF CHEMICAL PHYSICS 140 ( 4 ) 2014年01月28日

ISSN: 0021-9606

DOI
N1s and O1s double ionization of the NO and N2O molecules

Hedin, L; Tashiro, M; Linusson, P; Eland, JHD; Ehara, M; Ueda, K; Zhaunerchyk, V; Karlsson, L; Pern … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 140 ( 4 ) 2014年01月28日

ISSN: 0021-9606

DOI
Beam-induced graphitic carbon cage transformation from sumanene aggregates

Fujita, J; Tachi, M; Murakami, K; Sakurai, H; Morita, Y; Higashibayashi, S; Takeguchi, M

APPLIED PHYSICS LETTERS 104 ( 4 ) 2014年01月27日

ISSN: 0003-6951

DOI
Dissection of the ATP-Dependent Conformational Change Cycle of a Group ll Chaperonin

Nakagawa, A; Moriya, K; Arita, M; Yamamoto, Y; Kitamura, K; Ishiguro, N; Kanzaki, T; Oka, T; Makabe … 全著者表示

JOURNAL OF MOLECULAR BIOLOGY 426 ( 2 ) 447 - 459 2014年01月23日

ISSN: 0022-2836

DOI
Di-μ-oxo Dimetal Core of MnIV and TiIV as a Linker Between Two Chiral Salen Complexes Leading to the Stereoselective Formation of Different M- and P-Helical Structures

Kurahashi, T; Hada, M; Fujii, H

INORGANIC CHEMISTRY 53 ( 2 ) 1070 - 1079 2014年01月20日

ISSN: 0020-1669

DOI
Improving quasiparticle second order electron propagator calculations with the spin-component-scaled technique

Romero, J; Charry, JA; Nakai, H; Reyes, A

CHEMICAL PHYSICS LETTERS 591 82 - 87 2014年01月20日

ISSN: 0009-2614

DOI
Ion effects on the structure of water studied by terahertz time-domain spectroscopy

Kondoh, M; Ohshima, Y; Tsubouchi, M

CHEMICAL PHYSICS LETTERS 591 317 - 322 2014年01月20日

ISSN: 0009-2614

DOI
Mechanism of Deep-Sea Fish α-Actin Pressure Tolerance Investigated by Molecular Dynamics Simulations

Wakai, N; Takemura, K; Morita, T; Kitao, A

PLOS ONE 9 ( 1 ) 2014年01月20日

ISSN: 1932-6203

DOI
Choline Ion Interactions with DNA Atoms Explain Unique Stabilization of A-T Base Pairs in DNA Duplexes: A Microscopic View

Nakano, M; Tateishi-Karimata, H; Tanaka, S; Sugimoto, N

JOURNAL OF PHYSICAL CHEMISTRY B 118 ( 2 ) 379 - 389 2014年01月16日

ISSN: 1520-6106

DOI
Vibrational Shifts of HXeCl in Matrix Environments

Niimi, K; Nakayama, A; Ono, Y; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY A 118 ( 2 ) 380 - 387 2014年01月16日

ISSN: 1089-5639

DOI
Conductometric and UV-visible Spectroscopic Studies on the Strong Association between Polysulfonic or Dicarboxylic Acids and Their Conjugate Anions in Acetonitrile

Hojo, M; Kondo, Y; Zei, K; Okamura, K; Chen, ZD; Kobayashe, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 87 ( 1 ) 98 - 109 2014年01月15日

ISSN: 0009-2673

DOI
Natural orbital functional calculations of molecular polarizabilities and second hyperpolarizabilities. The hydrogen molecule as a test case

Lopez, X; Piris, M; Nakano, M; Champagne, B

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 47 ( 1 ) 2014年01月14日

ISSN: 0953-4075

DOI
De localized electrons in infrared intensities

Torii, H

JOURNAL OF MOLECULAR STRUCTURE 1056 84 - 96 2014年01月06日

ISSN: 0022-2860

DOI
A Palladium-Nanoparticle and Silicon-Nanowire-Array Hybrid: A Platform for Catalytic Heterogeneous Reactions

Yamada, YMA; Yuyama, Y; Sato, T; Fujikawa, S; Uozumi, Y

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53 ( 1 ) 127 - 131 2014年01月03日

ISSN: 1433-7851

DOI
A high-resolution magnetic bottle electron spectrometer and its application to a photoelectron-Auger electron coincidence measurement of the L2,3VV Auger decay in CS2

Hikosaka, Y; Sawa, M; Soejima, K; Shigemasa, E

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 192 69 - 74 2014年01月

ISSN: 0368-2048

DOI
Alloying effect on K-shell fluorescence parameters of porous NiTi shape memory alloys

Cengiz, E; Ozkendir, OM; Kaya, M; Tirasoglu, E; Karahan, IH; Kimura, S; Hajiri, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 192 55 - 60 2014年01月

ISSN: 0368-2048

DOI
Conformational characterization of a protein complex involving intrinsically disordered protein by small-angle neutron scattering using the inverse contrast matching method: a case study of interaction between α-synuclein and PbaB tetramer as a model chaperone

Sugiyama, M; Yagi, H; Yamaguchi, T; Kumoi, K; Hirai, M; Oba, Y; Sato, N; Porcar, L; Martel, A; Kato … 全著者表示

JOURNAL OF APPLIED CRYSTALLOGRAPHY 47 430 - 435 2014年01月

ISSN: 0021-8898

DOI
Development of a single-shot CCD-based data acquisition system for time-resolved X-ray photoelectron spectroscopy at an X-ray free-electron laser facility

Oura, M; Wagai, T; Chainani, A; Miyawaki, J; Sato, H; Matsunami, M; Eguchi, R; Kiss, T; Yamaguchi, … 全著者表示

JOURNAL OF SYNCHROTRON RADIATION 21 183 - 192 2014年01月

ISSN: 1600-5775

DOI
Difference in the Structures of Alanine Tri- and Tetra-Peptides with Antiparallel β-Sheet Assessed by X-Ray Diffraction, Solid-State NMR and Chemical Shift Calculations by GIPAW

Asakura, T; Yazawa, K; Horiguchi, K; Suzuki, F; Nishiyama, Y; Nishimura, K; Kaji, H

BIOPOLYMERS 101 ( 1 ) 13 - 20 2014年01月

ISSN: 0006-3525

DOI
Iodine molecule for neutrino mass spectroscopy: ab initio calculation of spectral rate

Tashiro, M; Ehara, M; Kuma, S; Miyamoto, Y; Sasao, N; Uetake, S; Yoshimura, M

PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS 2014 ( 1 ) 2014年01月

ISSN: 2050-3911

DOI
Kilowatt-peak Terahertz-wave Generation and Sub-femtojoule Terahertz-wave Pulse Detection Based on Nonlinear Optical Wavelength-conversion at Room Temperature

Minamide, H; Hayashi, S; Nawata, K; Taira, T; Shikata, J; Kawase, K

JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES 35 ( 1 ) 25 - 37 2014年01月

ISSN: 1866-6892

DOI
Size-controlled preparation of gold nanoclusters stabilized by high-viscosity hydrophilic polymers using a microflow reactor

Haesuwannakij, S; Karuehanon, W; Mishra, VL; Kitahara, H; Sakurai, H; Kanaoka, S; Aoshima, S

MONATSHEFTE FUR CHEMIE 145 ( 1 ) 23 - 28 2014年01月

ISSN: 0026-9247

DOI
Spin-Polarized Angle-Resolved Photoelectron Spectroscopy of the So-Predicted Kondo Topological Insulator SmB6

Suga, S; Sakamoto, K; Okuda, T; Miyamoto, K; Kuroda, K; Sekiyama, A; Yamaguchi, J; Fujiwara, H; Iri … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 83 ( 1 ) 2014年01月

ISSN: 0031-9015

DOI
2s-Excitation and Photolonization of Neon Clusters

Flesch, R; Kosugi, N; Knop-Gericke, A; Rühl, E

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS 228 ( 4-5 ) 387 - 403 2014年

ISSN: 0942-9352

DOI
A stable metallic state of (TTPCOO)2NH4 with a mobile dopant

Terauchi, T; Sumi, S; Kobayashi, Y; Nakamura, T; Furukawa, K; Misaki, Y

CHEMICAL COMMUNICATIONS 50 ( 54 ) 7111 - 7113 2014年

ISSN: 1359-7345

DOI
Analysis of hydrogen bond energies and hydrogen bonded networks in water clusters (H2O)20 and (H2O)25 using the charge-transfer and dispersion terms

Iwata, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 23 ) 11310 - 11317 2014年

ISSN: 1463-9076

DOI
Bis-cyclooctatetraene tripalladium sandwich complexes

Murahashi, T; Kimura, S; Takase, K; Uemura, T; Ogoshi, S; Yamamoto, K

CHEMICAL COMMUNICATIONS 50 ( 7 ) 820 - 822 2014年

ISSN: 1359-7345

DOI
Catalytic covalent organic frameworks via pore surface engineering

Xu, H; Chen, X; Gao, J; Lin, JB; Addicoat, M; Irle, S; Jiang, DL

CHEMICAL COMMUNICATIONS 50 ( 11 ) 1292 - 1294 2014年

ISSN: 1359-7345

DOI
Charge transfer (CT) mechanochromism: dramatic CT absorption change of crystalline π-conjugated oligomers containing TCNQ upon mechanical grinding

Nagai, A; Okabe, Y

CHEMICAL COMMUNICATIONS 50 ( 70 ) 10052 - 10054 2014年

ISSN: 1359-7345

DOI
Conformational flexibility of loops of myosin enhances the global bias in the actin-myosin interaction landscape

Nie, QM; Sasai, M; Terada, TP

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 14 ) 6441 - 6447 2014年

ISSN: 1463-9076

DOI
Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster

Das, A; Li, T; Li, G; Nobusada, K; Zeng, CJ; Rosi, NL; Jin, RC

NANOSCALE 6 ( 12 ) 6458 - 6462 2014年

ISSN: 2040-3364

DOI
Cyclization of alkynoic acids in water in the presence of a vesicular self-assembled amphiphilic pincer palladium complex catalyst

Hamasaka, G; Uozumi, Y

CHEMICAL COMMUNICATIONS 50 ( 93 ) 14516 - 14518 2014年

ISSN: 1359-7345

DOI
Determination of the n-director direction of low bend-angle banana-shaped molecules by solid-state 13C NMR

Yamada, K; Lee, EW; Hattori, M; Kawauchi, S; Choi, EJ; Watanabe, J; Kang, S

JOURNAL OF MATERIALS CHEMISTRY C 2 ( 48 ) 10418 - 10427 2014年

ISSN: 2050-7526

DOI
Direct oxidation of methane to methanol on Fe-O modified graphene

Impeng, S; Khongpracha, P; Warakulwit, C; Jansang, B; Sirijaraensre, J; Ehara, M; Limtrakul, J

RSC ADVANCES 4 ( 24 ) 12572 - 12578 2014年

ISSN: 2046-2069

DOI
Driving an equilibrium acetalization to completion in the presence of water

Minakawa, M; Yamada, YMA; Uozumi, Y

RSC ADVANCES 4 ( 69 ) 36864 - 36867 2014年

ISSN: 2046-2069

DOI
Effects of hydrogen bonding interactions on the redox potential and molecular vibrations of plastoquinone as studied using density functional theory calculations

Ashizawa, R; Noguchi, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 24 ) 11864 - 11876 2014年

ISSN: 1463-9076

DOI
Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands

Suzuki, T; Nakagawa, T; Ohkubo, K; Fukuzumi, S; Matsuo, Y

CHEMICAL SCIENCE 5 ( 12 ) 4888 - 4894 2014年

ISSN: 2041-6520

DOI
Generalized approximate spin projection calculations of effective exchange integrals of the CaMn4O5 cluster in the S1 and S3 states of the oxygen evolving complex of photosystem II

Isobe, H; Shoji, M; Yamanaka, S; Mino, H; Umena, Y; Kawakami, K; Kamiya, N; Shen, JR; Yamaguchi, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 24 ) 11911 - 11923 2014年

ISSN: 1463-9076

DOI
H2O2-dependent substrate oxidation by an engineered diiron site in a bacterial hemerythrin

Okamoto, Y; Onoda, A; Sugimoto, H; Takano, Y; Hirota, S; Kurtz, DM; Shiro, Y; Hayashi, T

CHEMICAL COMMUNICATIONS 50 ( 26 ) 3421 - 3423 2014年

ISSN: 1359-7345

DOI
Homochiral supramolecular polymerization of bowl-shaped chiral macrocycles in solution

Sato, K; Itoh, Y; Aida, T

CHEMICAL SCIENCE 5 ( 1 ) 136 - 140 2014年

ISSN: 2041-6520

DOI
Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges

Sun, JB; Lu, XF; Ishikawa, M; Nakano, Y; Zhang, SX; Zhao, JL; Shao, YL; Wang, ZH; Yamochi, H; Shao, … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY C 2 ( 38 ) 8071 - 8076 2014年

ISSN: 2050-7526

DOI
Intermolecular interactions between a Ru complex and organic dyes in cosensitized solar cells: a computational study

Kusama, H; Funaki, T; Koumura, N; Sayama, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 30 ) 16166 - 16175 2014年

ISSN: 1463-9076

DOI
Iron-catalyzed C(sp3)-H functionalization of methyl azaarenes: a green approach to azaarene-substituted α- or β-hydroxy carboxylic derivatives and 2-alkenylazaarenes

Pi, DW; Jiang, K; Zhou, HF; Sui, YB; Uozumi, Y; Zou, K

RSC ADVANCES 4 ( 101 ) 57875 - 57884 2014年

DOI
Molecular structure and spectroscopic properties of a nickel-bridged {Ni(Ph3P)}2(μ2-η2, η2-C60)2 dimer

Konarev, DV; Troyanov, SI; Nakano, Y; Otsuka, A; Yamochi, H; Saito, G; Lyubovskaya, RN

DALTON TRANSACTIONS 43 ( 48 ) 17920 - 17923 2014年

ISSN: 1477-9226

DOI
Multireference electron correlation methods with density matrix renormalisation group reference functions

Kurashige, Y

MOLECULAR PHYSICS 112 ( 11 ) 1485 - 1494 2014年

ISSN: 0026-8976

DOI
Photophysical properties and photochemistry of substituted cinnamates and cinnamic acids for UVB blocking: effect of hydroxy, nitro, and fluoro substitutions at ortho, meta, and para positions

Promkatkaew, M; Suramitr, S; Karpkird, T; Wanichwecharungruang, S; Ehara, M; Hannongbua, S

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 13 ( 3 ) 583 - 594 2014年

ISSN: 1474-905X

DOI
Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network

Yoneyama, S; Kodama, T; Kikuchi, K; Fujii, Y; Kikuchi, H; Fujita, W

CRYSTENGCOMM 16 ( 45 ) 10385 - 10388 2014年

ISSN: 1466-8033

DOI
Quantum yield in blue-emitting anthracene derivatives: vibronic coupling density and transition dipole moment density

Uejima, M; Sato, T; Yokoyama, D; Tanaka, K; Park, JW

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 27 ) 14244 - 14256 2014年

ISSN: 1463-9076

DOI
Radical O-O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory

Kurashige, Y; Saitow, M; Chalupsky, J; Yanai, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 24 ) 11988 - 11999 2014年

ISSN: 1463-9076

DOI
Redox-active conjugated microporous polymers: a new organic platform for highly efficient energy storage

Xu, F; Chen, X; Tang, ZW; Wu, DC; Fu, RW; Jiang, DL

CHEMICAL COMMUNICATIONS 50 ( 37 ) 4788 - 4790 2014年

ISSN: 1359-7345

DOI
Reversible iodine absorption of nonporous coordination polymer Cu(TCNQ)

Miyao, K; Funabiki, A; Takahashi, K; Mochida, T; Uruichi, M

NEW JOURNAL OF CHEMISTRY 38 ( 2 ) 739 - 743 2014年

ISSN: 1144-0546

DOI
SN2 regioselectivity in the esterification of 5-and 7-membered azacycloalkane quaternary salts: a DFT study to reveal the transition state ring conformation prevailing over the ground state ring strain

Kimura, A; Kawauchi, S; Yamamoto, T; Tezuka, Y

ORGANIC & BIOMOLECULAR CHEMISTRY 12 ( 34 ) 6717 - 6724 2014年

ISSN: 1477-0520

DOI
Selective synthesis of [7]- and [8]cycloparaphenylenes

Sibbel, F; Matsui, K; Segawa, Y; Studer, A; Itami, K

CHEMICAL COMMUNICATIONS 50 ( 8 ) 954 - 956 2014年

ISSN: 1359-7345

DOI
Sheathed nanowires aligned by crystallographic periodicity: a possibility of cross-bar wiring in three-dimensional space

Yamamoto, HM

CRYSTENGCOMM 16 ( 14 ) 2857 - 2868 2014年

ISSN: 1466-8033

DOI
Solvation dependence of valence electronic states of water diluted in organic solvents probed by soft X-ray spectroscopy

Tokushima, T; Horikawa, Y; Takahashi, O; Arai, H; Sadakane, K; Harada, Y; Takata, Y; Shin, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 22 ) 10753 - 10761 2014年

ISSN: 1463-9076

DOI
Structural insights into the functional origin of conjugated microporous polymers: geometry-management of porosity and electronic properties

Xu, YH; Jiang, DL

CHEMICAL COMMUNICATIONS 50 ( 21 ) 2781 - 2783 2014年

ISSN: 1359-7345

DOI
Structurally characterised vanadium(V)-substituted Keggin-type heteropolysulfates [SVM11O40]3-(M = Mo, W): voltammetric and spectroscopic studies related to the V(V)/V(IV) redox couple

Ueda, T; Nambu, J; Lu, JZ; Guo, SX; Li, Q; Boas, JF; Martin, LL; Bond, AM

DALTON TRANSACTIONS 43 ( 14 ) 5462 - 5473 2014年

ISSN: 1477-9226

DOI
Synthesis and properties of cycloparaphenylene-2,7-pyrenylene: a pyrene-containing carbon nanoring

Yagi, A; Venkataramana, G; Segawa, Y; Itami, K

CHEMICAL COMMUNICATIONS 50 ( 8 ) 957 - 959 2014年

ISSN: 1359-7345

DOI
The origin of exo-selectivity in methyl cyanoformate addition onto the C=C bond of norbornene in Pd-catalyzed cyanoesterification

Okuda, Y; Szilagyi, RK; Mori, S; Nishihara, Y

DALTON TRANSACTIONS 43 ( 25 ) 9537 - 9548 2014年

ISSN: 1477-9226

DOI
The proton conduction mechanism in a material consisting of packed acids

Ogawa, T; Aonuma, T; Tamaki, T; Ohashi, H; Ushiyama, H; Yamashita, K; Yamaguchi, T

CHEMICAL SCIENCE 5 ( 12 ) 4878 - 4887 2014年

ISSN: 2041-6520

DOI
Theoretical/numerical study on strong-laserinduced interference in the B state of I2

Ohtsuki, Y; Goto, H; Katsuki, H; Ohmori, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 ( 12 ) 5689 - 5697 2014年

ISSN: 1463-9076

DOI
Total synthesis and characterization of thielocin B1 as a protein-protein interaction inhibitor of PAC3 homodimer

Doi, T; Yoshida, M; Ohsawa, K; Shin-ya, K; Takagi, M; Uekusa, Y; Yamaguchi, T; Kato, K; Hirokawa, T … 全著者表示

CHEMICAL SCIENCE 5 ( 5 ) 1860 - 1868 2014年

ISSN: 2041-6520

DOI
Towards covalent organic frameworks with predesignable and aligned open docking sites

Chen, X; Huang, N; Gao, J; Xu, H; Xu, F; Jiang, DL

CHEMICAL COMMUNICATIONS 50 ( 46 ) 6161 - 6163 2014年

ISSN: 1359-7345

DOI
Transfer hydrogenation of alkenes using Ni/Ru/Pt/Au heteroquatermetallic nanoparticle catalysts: sequential cooperation of multiple nano-metal species

Ito, Y; Ohta, H; Yamada, YMA; Enoki, T; Uozumi, Y

CHEMICAL COMMUNICATIONS 50 ( 81 ) 12123 - 12126 2014年

ISSN: 1359-7345

DOI
Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups

Nakamura, M; Kitatsuka, M; Takahashi, K; Nagata, T; Mori, S; Kuzuhara, D; Okujima, T; Yamada, H; Na … 全著者表示

ORGANIC & BIOMOLECULAR CHEMISTRY 12 ( 8 ) 1309 - 1317 2014年

ISSN: 1477-0520

DOI
Nonresonant EUV-UV two-color two-photon ionization of He studied by single-shot photoelectron spectroscopy

Fushitani, M; Hikosaka, Y; Matsuda, A; Endo, T; Shigemasa, E; Nagasono, M; Sato, T; Togashi, T; Yab … 全著者表示

PHYSICAL REVIEW A 88 ( 6 ) 2013年12月31日

ISSN: 1050-2947

DOI
Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation

Nakajima, Y; Seino, J; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 139 ( 24 ) 2013年12月28日

ISSN: 0021-9606

DOI
Conformational Dependence of the Circular Dichroism Spectrum of α-Hydroxyphenylacetic Acid: A ChiraSac Study

Miyahara, T; Nakatsuji, H

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 51 ) 14065 - 14074 2013年12月26日

ISSN: 1089-5639

DOI
Two types of Dirac-cone surface states on the (111) surface of the topological crystalline insulator SnTe

Tanaka, Y; Shoman, T; Nakayama, K; Souma, S; Sato, T; Takahashi, T; Novak, M; Segawa, K; Ando, Y

PHYSICAL REVIEW B 88 ( 23 ) 2013年12月26日

ISSN: 2469-9950

DOI
Synthesis and photochemical reactivity of caged glutamates with a π-extended coumarin chromophore as a photolabile protecting group

Sakamoto, Y; Boinapally, S; Katan, C; Abe, M

TETRAHEDRON LETTERS 54 ( 52 ) 7171 - 7174 2013年12月25日

ISSN: 0040-4039

DOI
pn-homojunction organic solar cells formed in phase-separated co-deposited films

Kubo, M; Kaji, T; Hiramoto, M

APPLIED PHYSICS LETTERS 103 ( 26 ) 2013年12月23日

ISSN: 0003-6951

DOI
Local environment of silicon in cubic boron nitride

Murata, H; Taniguchi, T; Hishita, S; Yamamoto, T; Oba, F; Tanaka, I

JOURNAL OF APPLIED PHYSICS 114 ( 23 ) 2013年12月21日

ISSN: 0021-8979

DOI
Quantum Chemical Study of B(C6F5)3-Catalyzed Hydrosilylation of Carbonyl Group

Sakata, K; Fujimoto, H

JOURNAL OF ORGANIC CHEMISTRY 78 ( 24 ) 12505 - 12512 2013年12月20日

ISSN: 0022-3263

DOI
S1 and S2 States of Linear and Zigzag Cata-Condensed Hydrocarbons

Baba, M; Katori, T; Kawabata, M; Kunishige, S; Yamanaka, T

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 50 ) 13524 - 13530 2013年12月19日

ISSN: 1089-5639

DOI
Vibronic couplings in C60 derivatives for organic photovoltaics

Iwahara, N; Sato, T; Tanaka, K; Kaji, H

CHEMICAL PHYSICS LETTERS 590 169 - 174 2013年12月18日

ISSN: 0009-2614

DOI
Comparative Study of Photochromic Ferrocene-Conjugated Dimethyldihydropyrene Derivatives

Muratsugu, S; Kishida, M; Sakamoto, R; Nishihara, H

CHEMISTRY-A EUROPEAN JOURNAL 19 ( 51 ) 17314 - 17327 2013年12月16日

ISSN: 0947-6539

DOI
Computational Study of the Binding Mechanism of Complement C3b with Antigen

Matsubara, T; Sasamoto, C

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 86 ( 12 ) 1426 - 1434 2013年12月15日

ISSN: 0009-2673

DOI
Contribution of oxygen partial density of state on lithium intercalation/de-intercalation process in LixNi0.5Mn1.5O4 spinel oxides

Okumura, T; Shikano, M; Kobayashi, H

JOURNAL OF POWER SOURCES 244 544 - 547 2013年12月15日

ISSN: 0378-7753

DOI
Kinetic Energy Decomposition Scheme Based on Information Theory

Imamura, Y; Suzuki, J; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 32 ) 2787 - 2795 2013年12月15日

ISSN: 0192-8651

DOI
Theoretical analysis of the influence of surface defects on the reactivity of hypophosphite ions

Kunimoto, M; Otomo, A; Takahashi, N; Nakai, H; Homma, T

ELECTROCHIMICA ACTA 113 785 - 791 2013年12月15日

ISSN: 0013-4686

DOI
MuSTAR MD: Multi-scale sampling using temperature accelerated and replica exchange molecular dynamics (vol 139, 145105, 2013)

Yamamori, Y; Kitao, A

JOURNAL OF CHEMICAL PHYSICS 139 ( 22 ) 2013年12月14日

ISSN: 0021-9606

DOI
DFT calculations of effective exchange integrals at the complete basis set limit on oxo-vanadium ring complex

Kitagawa, Y; Matsui, T; Yasuda, N; Hatake, H; Kawakami, T; Yamanaka, S; Nihei, M; Okumura, M; Oshio … 全著者表示

POLYHEDRON 66 97 - 101 2013年12月13日

ISSN: 0277-5387

DOI
Interactions between stacked layers of phenyl-modified silicene

Spencer, MJS; Bassett, MR; Morishita, T; Snook, IK; Nakano, H

NEW JOURNAL OF PHYSICS 15 2013年12月13日

ISSN: 1367-2630

DOI
Theory of chemical bonds in metalloenzymes XVI. Oxygen activation by high-valent transition metal ions in native and artificial systems

Yamaguchi, K; Shoji, M; Isobe, H; Kitagawa, Y; Yamada, S; Kawakami, T; Yamanaka, S; Okumura, M

POLYHEDRON 66 228 - 244 2013年12月13日

ISSN: 0277-5387

DOI
Theory of chemical bonds in metalloenzymes XVIII. Importance of mixed-valence configurations for Mn5O5, CaMn4O5 and Ca2Mn3O5 clusters revealed by UB3LYP computations. A bio-inspired strategy for artificial photosynthesis (Reprinted from)

Yamaguchi, K; Kitagawa, Y; Isobe, H; Shoji, M; Yamanaka, S; Okumura, M

POLYHEDRON 66 283 - 293 2013年12月13日

ISSN: 0277-5387

DOI
Nonsuperatomic [Au23(SC6H11)16]- Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif

Das, A; Li, T; Nobusada, K; Zeng, CJ; Rosi, NL; Jin, RC

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 49 ) 18264 - 18267 2013年12月11日

ISSN: 0002-7863

DOI
Solvent effects on the ultrafast nonradiative deactivation mechanisms of thymine in aqueous solution: Excited-state QM/MM molecular dynamics simulations

Nakayama, A; Arai, G; Yamazaki, S; Taketsugu, T

JOURNAL OF CHEMICAL PHYSICS 139 ( 21 ) 2013年12月07日

ISSN: 0021-9606

DOI
New NMR Tools for Characterizing the Dynamic Conformations and Interactions of Oligosaccharides

Zhang, Y; Yamaguchi, T; Kato, K

CHEMISTRY LETTERS 42 ( 12 ) 1455 - 1462 2013年12月05日

ISSN: 0366-7022

DOI
Asymmetric Sonogashira Coupling with a Chiral Palladium Imidazoindole Phosphine Complex

Zhou, HF; Uozumi, Y

SYNLETT 24 ( 19 ) 2550 - 2554 2013年12月02日

ISSN: 0936-5214

DOI
Enantiodivergent Deprotonation/Acylation of α-Amino Nitriles

Sasaki, M; Takegawa, T; Sakamoto, K; Kotomori, Y; Otani, Y; Ohwada, T; Kawahata, M; Yamaguchi, K; T … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 52 ( 49 ) 12956 - 12960 2013年12月02日

ISSN: 1433-7851

DOI
Detecting invariant manifolds as stationary Lagrangian coherent structures in autonomous dynamical systems

Teramoto, H; Haller, G; Komatsuzaki, T

CHAOS 23 ( 4 ) 2013年12月

ISSN: 1054-1500

DOI
MPI/OpenMP Hybrid Parallel Algorithm of Resolution of Identity Second-Order Moller-Plesset Perturbation Calculation for Massively Parallel Multicore Supercomputers

Katouda, M; Nakajima, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9 ( 12 ) 5373 - 5380 2013年12月

ISSN: 1549-9618

DOI
Predicting stabilities of endohedral metallofullerenes Yb@C84

Uhlík, F; Slanina, Z; Lee, SL; Akasaka, T; Nagase, S

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 250 ( 12 ) 2709 - 2712 2013年12月

ISSN: 0370-1972

DOI
Solvent environments significantly affect the enzymatic function of Escherichia coli dihydrofolate reductase: Comparison of wild-type protein and active-site mutant D27E

Ohmae, E; Miyashita, Y; Tate, S; Gekko, K; Kitazawa, S; Kitahara, R; Kuwajima, K

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1834 ( 12 ) 2782 - 2794 2013年12月

ISSN: 1570-9639

DOI
Three-dimensional angle-resolved photoemission spectra of EuO thin film

Miyazaki, H; Mitani, H; Hajiri, T; Matsunami, M; Ito, T; Kimura, S

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 191 7 - 10 2013年12月

ISSN: 0368-2048

DOI
Flexible nuclear screening approximation to the two-electron spin-orbit coupling based on ab initio parameterization

Chalupsky, J; Yanai, T

JOURNAL OF CHEMICAL PHYSICS 139 ( 20 ) 2013年11月28日

ISSN: 0021-9606

DOI
Strong correlation effects in the A-site ordered perovskite CaCu3Ti4O12 revealed by angle-resolved photoemission spectroscopy

Im, HJ; Tsunekawa, M; Sakurada, T; Iwataki, M; Kawata, K; Watanabe, T; Takegahara, K; Miyazaki, H; … 全著者表示

PHYSICAL REVIEW B 88 ( 20 ) 2013年11月22日

ISSN: 1098-0121

DOI
AGO61-dependent GlcNAc modification primes the formation of functional glycans on α-dystroglycan

Yagi, H; Nakagawa, N; Saito, T; Kiyonari, H; Abe, T; Toda, T; Wu, SW; Khoo, KH; Oka, S; Kato, K

SCIENTIFIC REPORTS 3 2013年11月21日

ISSN: 2045-2322

DOI
Electronic and Optical Properties of Vertex-Sharing Homo- and Hetero-Biicosahedral Gold Clusters

Iwasa, T; Nobusada, K; Nakajima, A

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 46 ) 24586 - 24591 2013年11月21日

ISSN: 1932-7447

DOI
Enhanced heat transfer through filler-polymer interface by surface-coupling agent in heat-dissipation material: A non-equilibrium molecular dynamics study

Tanaka, K; Ogata, S; Kobayashi, R; Tamura, T; Kitsunezuka, M; Shinma, A

JOURNAL OF APPLIED PHYSICS 114 ( 19 ) 2013年11月21日

ISSN: 0021-8979

DOI
An Azine-Linked Covalent Organic Framework

Dalapati, S; Jin, SB; Gao, J; Xu, YH; Nagai, A; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 46 ) 17310 - 17313 2013年11月20日

ISSN: 0002-7863

DOI
Infrared Multiphoton Dissociation Spectroscopy of Protonated 1,2-Diaminoethane-water Clusters: Vibrational Assignment via the MP2 Method

Boo, BH; Kang, S; Furuya, A; Judai, K; Nishi, N

BULLETIN OF THE KOREAN CHEMICAL SOCIETY 34 ( 11 ) 3327 - 3334 2013年11月20日

ISSN: 0253-2964

DOI
Structures of cobalt oxide cluster cations studied by ion mobility mass spectrometry

Ota, K; Koyasu, K; Ohshimo, K; Misaizu, F

CHEMICAL PHYSICS LETTERS 588 63 - 67 2013年11月19日

ISSN: 0009-2614

DOI
A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism

Nishijo, J; Enomoto, M

INORGANIC CHEMISTRY 52 ( 22 ) 13263 - 13268 2013年11月18日

ISSN: 0020-1669

DOI
Crystal Structure, Exogenous Ligand Binding, and Redox Properties of an Engineered Diiron Active Site in a Bacterial Hemerythrin

Okamoto, Y; Onoda, A; Sugimoto, H; Takano, Y; Hirota, S; Kurtz, DM; Shiro, Y; Hayashi, T

INORGANIC CHEMISTRY 52 ( 22 ) 13014 - 13020 2013年11月18日

ISSN: 0020-1669

DOI
Dual-wavelength source from 5% MgO:PPLN cylinders for the characterization of nonlinear infrared crystals

Kemlin, V; Jegouso, D; Debray, J; Boursier, E; Segonds, P; Boulanger, B; Ishizuki, H; Taira, T; Men … 全著者表示

OPTICS EXPRESS 21 ( 23 ) 28886 - 28891 2013年11月18日

ISSN: 1094-4087

DOI
Efficient second to ninth harmonic generation using megawatt peak power microchip laser

Bhandari, R; Tsuji, N; Suzuki, T; Nishifuji, M; Taira, T

OPTICS EXPRESS 21 ( 23 ) 28849 - 28855 2013年11月18日

ISSN: 1094-4087

DOI
Direct Dehydrative Esterification of Alcohols and Carboxylic Acids with a Macroporous Polymeric Acid Catalyst

Minakawa, M; Baek, H; Yamada, YMA; Han, JW; Uozumi, Y

ORGANIC LETTERS 15 ( 22 ) 5798 - 5801 2013年11月15日

ISSN: 1523-7060

DOI
Molecular engineering on a chlorophyll derivative, chlorin e6, for significantly improved power conversion efficiency in dye-sensitized solar cells

Wang, XF; Tamiaki, H; Kitao, O; Ikeuchi, T; Sasaki, S

JOURNAL OF POWER SOURCES 242 860 - 864 2013年11月15日

ISSN: 0378-7753

DOI
Theoretical study of cyclometalated Ru(II) dyes: Implications on the open-circuit voltage of dye-sensitized solar cells

Kusama, H; Funaki, T; Sayama, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 272 80 - 89 2013年11月15日

ISSN: 1010-6030

DOI
Strong Nanoscale Optical Activity Localized in Two-Dimensional Chiral Metal Nanostructures

Narushima, T; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 45 ) 23964 - 23969 2013年11月14日

ISSN: 1932-7447

DOI
Stereochemistry of Disilanylene-Containing Cyclic Compounds. Thermal Reactions of cis- and trans-3,4-Benzo-1,2-diisopropy1-1,2dimethy1-1,2-disilacyclobut-3-ene

Naka, A; Ikadai, J; Sakata, J; Ishikawa, M; Hayashi, Y; Antonov, L; Kawauchi, S; Yamabe, T

ORGANOMETALLICS 32 ( 21 ) 6476 - 6487 2013年11月11日

ISSN: 0276-7333

DOI
Selective Probing of the OH or OD Stretch Vibration in Liquid Water Using Resonant Inelastic Soft-X-Ray Scattering

Harada, Y; Tokushima, T; Horikawa, Y; Takahashi, O; Niwa, H; Kobayashi, M; Oshima, M; Senba, Y; Oha … 全著者表示

PHYSICAL REVIEW LETTERS 111 ( 19 ) 2013年11月08日

ISSN: 0031-9007

DOI
Microscopic mechanism for asymmetric charge distribution in Rashba-type surface states and the origin of the energy splitting scale

Kim, B; Kim, P; Jung, W; Kim, Y; Koh, Y; Kyung, W; Park, J; Matsunami, M; Kimura, S; Kim, JS; Han, … 全著者表示

PHYSICAL REVIEW B 88 ( 20 ) 2013年11月07日

ISSN: 1098-0121

DOI
Molecular Orientation and Electronic States of Vanadyl Phthalocyanine on Si(111) and Ag(111) Surfaces

Eguchi, K; Takagi, Y; Nakagawa, T; Yokoyama, T

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 44 ) 22843 - 22851 2013年11月07日

ISSN: 1932-7447

DOI
Site-dependent Si KL23L23 resonant Auger electron spectra following inner-shell excitation of Cl3SiSi(CH3)3

Suzuki, IH; Endo, H; Nagai, K; Takahashi, O; Tamenori, Y; Nagaoka, S

JOURNAL OF CHEMICAL PHYSICS 139 ( 17 ) 2013年11月07日

ISSN: 0021-9606

DOI
Cyclopentasilane-Fused Hexasilabenzvalene

Tsurusaki, A; Iizuka, C; Otsuka, K; Kyushin, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 44 ) 16340 - 16343 2013年11月06日

ISSN: 0002-7863

DOI
Chemically Intuitive Indices for Charge-Transfer Excitation Based on SAC-CI and TD-DFT Calculations

Ehara, M; Fukuda, R; Adamo, C; Ciofini, I

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 29 ) 2498 - 2501 2013年11月05日

ISSN: 0192-8651

DOI
Direct Functionalization of Aromatic Rings on Platinum-loaded Titanium Oxide Photocatalyst

Yuzawa, H; Yoshida, H

CHEMISTRY LETTERS 42 ( 11 ) 1336 - 1343 2013年11月05日

ISSN: 0366-7022

DOI
Hamiltonian Replica-Permutation Method and Its Applications to an Alanine Dipeptide and Amyloid-β(29-42) Peptides

Itoh, SG; Okumura, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 29 ) 2493 - 2497 2013年11月05日

ISSN: 0192-8651

DOI
Interactions between Quantum Mixing and the Environmental Dynamics Controlling Ultrafast Photoinduced Electron Transfer and Its Temperature Dependence

Ishizaki, A

CHEMISTRY LETTERS 42 ( 11 ) 1406 - 1408 2013年11月05日

ISSN: 0366-7022

DOI
Molecular Dynamics Simulations of the Hras-GTP Complex and the Hras-GDP Complex

Miyakawa, T; Morikawa, R; Takasu, M; Sugimori, K; Mizukami, T; Kawaguchi, K; Saito, H; Nagao, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 21 ) 2333 - 2337 2013年11月05日

ISSN: 0020-7608

DOI
Superphenalenyl: Theoretical Design of a π-Conjugated Planar Hydrocarbon Radical

Ikabata, Y; Akiba, K; Nakai, H

CHEMISTRY LETTERS 42 ( 11 ) 1386 - 1387 2013年11月05日

ISSN: 0366-7022

DOI
The Unfolded Protein Response Transducer ATF6 Represents a Novel Transmembrane-type Endoplasmic Reticulum-associated Degradation Substrate Requiring Both Mannose Trimming and SEL1L Protein

Horimoto, S; Ninagawa, S; Okada, T; Koba, H; Sugimoto, T; Kamiya, Y; Kato, K; Takeda, S; Mori, K

JOURNAL OF BIOLOGICAL CHEMISTRY 288 ( 44 ) 31517 - 31527 2013年11月01日

DOI
All-optical control and visualization of ultrafast two-dimensional atomic motions in a single crystal of bismuth

Katsuki, H; Delagnes, JC; Hosaka, K; Ishioka, K; Chiba, H; Zijlstra, ES; Garcia, ME; Takahashi, H; … 全著者表示

NATURE COMMUNICATIONS 4 2013年11月

ISSN: 2041-1723

DOI
CHEMICAL DESCRIPTION OF THE INTERACTION BETWEEN GLYCAN LIGAND AND SIGLEC-7 USING AB INITIO FMO METHOD AND CLASSICAL MD SIMULATION

Ueno-Noto, K; Ise, S; Takano, K

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 12 ( 7 ) 2013年11月

ISSN: 0219-6336

DOI
Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π clouds

Guo, J; Xu, YH; Jin, SB; Chen, L; Kaji, T; Honsho, Y; Addicoat, MA; Kim, J; Saeki, A; Ihee, H; Seki … 全著者表示

NATURE COMMUNICATIONS 4 2013年11月

ISSN: 2041-1723

DOI
Convergence of the Broyden Density Mixing Method in Noncollinear Magnetic Systems

Heide, M; Ono, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 82 ( 11 ) 2013年11月

ISSN: 0031-9015

DOI
Fermi-Level Tuning of Topological Insulator Thin Films

Aitani, M; Sakamoto, Y; Hirahara, T; Yamada, M; Miyazaki, H; Matsunami, M; Kimura, S; Hasegawa, S

JAPANESE JOURNAL OF APPLIED PHYSICS 52 ( 11 ) 2013年11月

ISSN: 0021-4922

DOI
Frequency-resolved optical gating capable of carrier-envelope phase determination

Nomura, Y; Shirai, H; Fuji, T

NATURE COMMUNICATIONS 4 2013年11月

ISSN: 2041-1723

DOI
Effect of Water Content on Conversion of D-Cellobiose into 5-Hydroxymethyl-2-furaldehyde in a Dimethyl Sulfoxide Water Mixture

Kimura, H; Yoshida, K; Uosaki, Y; Nakahara, M

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 43 ) 10987 - 10996 2013年10月31日

ISSN: 1089-5639

DOI
Experimental Reorganization Energies of Pentacene and Perfluoropentacene: Effects of Perfluorination

Kera, S; Hosoumi, S; Sato, K; Fukagawa, H; Nagamatsu, S; Sakamoto, Y; Suzuki, T; Huang, H; Chen, W; … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 43 ) 22428 - 22437 2013年10月31日

ISSN: 1932-7447

DOI
Superconducting niobium nitride thin films by reactive pulsed laser deposition

Ufuktepe, Y; Farha, AH; Kimura, SI; Hajiri, T; Imura, K; Mamun, MA; Karadag, F; Elmustafa, AA; Elsa … 全著者表示

THIN SOLID FILMS 545 601 - 607 2013年10月31日

ISSN: 0040-6090

DOI
Reaction mechanism in the mechanochemical synthesis of dibenzophenazine: application of vibronic coupling density analysis

Haruta, N; Sato, T; Tanaka, K; Baron, M

TETRAHEDRON LETTERS 54 ( 44 ) 5920 - 5923 2013年10月30日

ISSN: 0040-4039

DOI
Reactivity boundaries for chemical reactions associated with higher-index and multiple saddles

Nagahata, Y; Teramoto, H; Li, CB; Kawai, S; Komatsuzaki, T

PHYSICAL REVIEW E 88 ( 4 ) 2013年10月29日

ISSN: 1539-3755

DOI
Mechanism of ion permeation through a model channel: Roles of energetic and entropic contributions

Sumikama, T; Saito, S; Ohmine, I

JOURNAL OF CHEMICAL PHYSICS 139 ( 16 ) 2013年10月28日

ISSN: 0021-9606

DOI
A New Surface and Structure for Silicene: Polygonal Silicene Formation on the Al(111) Surface

Morishita, T; Spencer, MJS; Kawamoto, S; Snook, IK

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 42 ) 22142 - 22148 2013年10月24日

ISSN: 1932-7447

DOI
Dynamic Length Scales in Glass-Forming Liquids: An Inhomogeneous Molecular Dynamics Simulation Approach

Kim, K; Saito, S; Miyazaki, K; Biroli, G; Reichman, DR

JOURNAL OF PHYSICAL CHEMISTRY B 117 ( 42 ) 13259 - 13267 2013年10月24日

ISSN: 1520-6106

DOI
An investigation of electron-phonon coupling via phonon dispersion measurements in graphite using angle-resolved photoelectron spectroscopy

Tanaka, S; Matsunami, M; Kimura, S

SCIENTIFIC REPORTS 3 2013年10月23日

ISSN: 2045-2322

DOI
Electronic transitions in liquid amides studied by using attenuated total reflection far-ultraviolet spectroscopy and quantum chemical calculations

Morisawa, Y; Yasunaga, M; Fukuda, R; Ehara, M; Ozaki, Y

JOURNAL OF CHEMICAL PHYSICS 139 ( 15 ) 2013年10月21日

ISSN: 0021-9606

DOI
Effects of Counterion and Solvent on Proton Location and Proton Transfer Dynamics of N-H•••N Hydrogen Bond of Monoprotonated 1,8-Bis(dimethylamino)naphthalene

Masuda, Y; Mori, Y; Sakurai, K

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 41 ) 10576 - 10587 2013年10月17日

ISSN: 1089-5639

DOI
Functionalization of Monolayer h-BN by a Metal Support for the Oxygen Reduction Reaction

Lyalin, A; Nakayama, A; Uosaki, K; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 41 ) 21359 - 21370 2013年10月17日

ISSN: 1932-7447

DOI
Theoretical Study on the Electronic Structure and Third-Order Nonlinear Optical Properties of Open-Shell Quinoidal Oligothiophenes

Kishi, R; Dennis, M; Fukuda, K; Murata, Y; Morita, K; Uenaka, H; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 41 ) 21498 - 21508 2013年10月17日

ISSN: 1932-7447

DOI
Finite-Field Method with Unbiased Polarizable Continuum Model for Evaluation of the Second Hyperpolarizability of an Open-Shell Singlet Molecule in Solvents

Inui, T; Shigeta, Y; Okuno, K; Baba, T; Kishi, R; Nakano, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 27 ) 2345 - 2352 2013年10月15日

ISSN: 0192-8651

DOI
Photophysical properties of mono- and di-nuclear platinum(II) complexes with the tridentate ligand 2-phenyl-6-(1H-pyrazol-3-yl)-pyridine: A DFT and TDDFT study

Kataoka, Y; Kitagawa, Y; Kawakami, T; Okumura, M

JOURNAL OF ORGANOMETALLIC CHEMISTRY 743 163 - 169 2013年10月15日

ISSN: 0022-328X

DOI
Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies of diarylethene derivatives

Okuno, K; Shigeta, Y; Kishi, R; Nakano, M

CHEMICAL PHYSICS LETTERS 585 201 - 206 2013年10月14日

ISSN: 0009-2614

DOI
Theoretical study on the diradical characters and third-order nonlinear optical properties of cyclic thiazyl diradical compounds

Matsui, H; Fukuda, K; Hirosaki, Y; Takamuku, S; Champagne, B; Nakano, M

CHEMICAL PHYSICS LETTERS 585 112 - 116 2013年10月14日

ISSN: 0009-2614

DOI
Aerobic Oxidation of Methanol to Formic Acid on Au8-: Benchmark Analysis Based on Completely Renormalized Coupled-Cluster and Density Functional Theory Calculations

Hansen, JA; Ehara, M; Piecuch, P

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 40 ) 10416 - 10427 2013年10月10日

ISSN: 1089-5639

DOI
Determination of Accurate 1H Positions of (Ala-Gly)n as a Sequential Peptide Model of Bombyx mori Silk Fibroin before Spinning (Silk I)

Asakura, T; Suzuki, Y; Yazawa, K; Aoki, A; Nishiyama, Y; Nishimura, K; Suzuki, F; Kaji, H

MACROMOLECULES 46 ( 19 ) 8046 - 8050 2013年10月08日

ISSN: 0024-9297

DOI
Effect of Bathocuproine Electron-transport Layer in Small-molecule Solar Cells with Laminated Top Electrode

Sakomura, M; Matsushiro, M; Sawayama, M; Miura, S; Delgertsetseg, B; Ganzorig, C; Ueda, K

CHEMISTRY LETTERS 42 ( 10 ) 1179 - 1181 2013年10月05日

ISSN: 0366-7022

DOI
Photovoltaic Properties of OPV Devices Using cis- and trans-2,5-Diarylfulleropyrrolidines as Acceptor Partners with P3HT on an ITO Electrode with or without PEDOT:PSS

Yoshimura, K; Sugawara, K; Sakumichi, S; Matsumoto, K; Uetani, Y; Hayase, S; Nokami, T; Itoh, T

CHEMISTRY LETTERS 42 ( 10 ) 1209 - 1211 2013年10月05日

ISSN: 0366-7022

DOI
Fluorinated and Trifluoromethylated Corannulenes

Schmidt, BM; Topolinski, B; Yamada, M; Higashibayashi, S; Shionoya, M; Sakurai, H; Lentz, D

CHEMISTRY-A EUROPEAN JOURNAL 19 ( 41 ) 13872 - 13880 2013年10月04日

ISSN: 0947-6539

DOI
Heme-binding properties of heme detoxification protein from Plasmodium falciparum

Nakatani, K; Ishikawa, H; Aono, S; Mizutani, Y

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 439 ( 4 ) 477 - 480 2013年10月04日

ISSN: 0006-291X

DOI
Photoreaction of rac-Leucine in Ice by Circularly Polarized Synchrotron Radiation: Temperature-Induced Mechanism Switching from Norrish Type II to Deamination

Nishino, H; Hosaka, M; Katoh, M; Inoue, Y

CHEMISTRY-A EUROPEAN JOURNAL 19 ( 41 ) 13929 - 13936 2013年10月04日

ISSN: 0947-6539

DOI
Sub-Doppler Electronic Spectra of Benzene-(H2)n Complexes

Hayashi, M; Ohshima, Y

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 39 ) 9819 - 9830 2013年10月03日

ISSN: 1089-5639

DOI
Determination of non-uniform graphene thickness on SiC (0001) by X-ray diffraction

Ruammaitree, A; Nakahara, H; Akimoto, K; Soda, K; Saito, Y

APPLIED SURFACE SCIENCE 282 297 - 301 2013年10月01日

ISSN: 0169-4332

DOI
Vibronically induced activation mechanism in photocatalysis of highly dispersed vanadium oxide supported on silica, V2O5/SiO2: Evidence in phosphorescence spectra

Iwahara, N; Sato, T; Tanaka, K; Tanaka, T

CHEMICAL PHYSICS LETTERS 584 63 - 66 2013年10月01日

ISSN: 0009-2614

DOI
Decomposition behaviors of various crystalline celluloses as treated by semi-flow hot-compressed water

Abdullah, R; Ueda, K; Saka, S

CELLULOSE 20 ( 5 ) 2321 - 2333 2013年10月

ISSN: 0969-0239

DOI
Interstitial oxygen induced Fermi level pinning in the Al2O3-based high-k MISFET with heavy-doped n-type poly-Si gates

Yang, MY; Kamiya, K; Shiraishi, K

AIP ADVANCES 3 ( 10 ) 2013年10月

DOI
Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and DMRG-CASPT2 Study on the Photochromic Ring Opening of Spiropyran

Liu, FY; Kurashige, Y; Yanai, T; Morokuma, K

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9 ( 10 ) 4462 - 4469 2013年10月

ISSN: 1549-9618

DOI
Structural and functional mosaic nature of MHC class I molecules in their peptide-free form

Kurimoto, E; Kuroki, K; Yamaguchi, Y; Yagi-Utsumi, M; Igaki, T; Iguchi, T; Maenaka, K; Kato, K

MOLECULAR IMMUNOLOGY 55 ( 3-4 ) 393 - 399 2013年10月

ISSN: 0161-5890

DOI
Synthesis and physical properties of a ball-like three-dimensional π-conjugated molecule

Kayahara, E; Iwamoto, T; Takaya, H; Suzuki, T; Fujitsuka, M; Majima, T; Yasuda, N; Matsuyama, N; Se … 全著者表示

NATURE COMMUNICATIONS 4 2013年10月

DOI
Cooperative Catalysis of Metal and O-H•••O/sp3-C-H•••O Two-Point Hydrogen Bonds in Alcoholic Solvents: Cu-Catalyzed Enantioselective Direct Alkynylation of Aldehydes with Terminal Alkynes

Ishii, T; Watanabe, R; Moriya, T; Ohmiya, H; Mori, S; Sawamura, M

CHEMISTRY-A EUROPEAN JOURNAL 19 ( 40 ) 13547 - 13553 2013年09月27日

ISSN: 0947-6539

DOI
Tetrabenzo[8]circulene: Aromatic Saddles from Negatively Curved Graphene

Sakamoto, Y; Suzuki, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 38 ) 14074 - 14077 2013年09月25日

ISSN: 0002-7863

DOI
Folded-chain structure of cellulose II suggested by molecular dynamics simulation

Yamane, C; Miyamoto, H; Hayakawa, D; Ueda, K

CARBOHYDRATE RESEARCH 379 30 - 37 2013年09月20日

ISSN: 0008-6215

DOI
Near-Edge X-Ray Absorption Fine Structures Revealed in Core Ionization Photoelectron Spectroscopy

Nakano, M; Selles, P; Lablanquie, P; Hikosaka, Y; Penent, F; Shigemasa, E; Ito, K; Carniato, S

PHYSICAL REVIEW LETTERS 111 ( 12 ) 2013年09月20日

ISSN: 0031-9007

DOI
Active Site Structure of Photoactive Yellow Protein with a Locked Chromophore Analogue Revealed by Near-Infrared Raman Optical Activity

Kubota, K; Shingae, T; Foster, ND; Kumauchi, M; Hoff, WD; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 4 ( 18 ) 3031 - 3038 2013年09月19日

ISSN: 1948-7185

DOI
Ero1-α and PDIs constitute a hierarchical electron transfer network of endoplasmic reticulum oxidoreductases

Araki, K; Lemura, S; Kamiya, Y; Ron, D; Kato, K; Natsume, T; Nagata, K

JOURNAL OF CELL BIOLOGY 202 ( 6 ) 861 - 874 2013年09月16日

ISSN: 0021-9525

DOI
Probing orbital symmetry in solution: polarization-dependent resonant inelastic soft x-ray scattering on liquid micro-jet

Dierker, B; Suljoti, E; Atak, K; Lange, KM; Engel, N; Golnak, R; Dantz, M; Hodeck, K; Khan, M; Kosu … 全著者表示

NEW JOURNAL OF PHYSICS 15 2013年09月16日

ISSN: 1367-2630

DOI
Development of open-boundary cluster model approach for electrochemical systems and its application to Ag+ adsorption on Au(111) and Ag(111) electrodes

Iida, K; Yasuike, T; Nobusada, K

JOURNAL OF CHEMICAL PHYSICS 139 ( 10 ) 2013年09月14日

ISSN: 0021-9606

DOI
Scanning Tunneling Microscopy Imaging of Long Oligothiophene Wires Deposited on Au(111) Using Electrospray Ionization

Yokoyama, T; Kogure, Y; Kawasaki, M; Tanaka, S; Aoshima, K

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 36 ) 18484 - 18487 2013年09月12日

ISSN: 1932-7447

DOI
Helmholtz Energy Change between Neutral and Zwitterionic Forms of Glycine in Aqueous Solution Using Ab Initio Expanded QM/MM-MC with QM Solvent

Miyamoto, H; Aida, M

CHEMISTRY LETTERS 42 ( 9 ) 1010 - 1012 2013年09月05日

ISSN: 0366-7022

DOI
Multi-Thousand-Atom DFT Simulation of Li-Ion Transfer through the Boundary between the Solid-Electrolyte Interface and Liquid Electrolyte in a Li-Ion Battery

Ogata, S; Ohba, N; Kouno, T

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 35 ) 17960 - 17968 2013年09月05日

ISSN: 1932-7447

DOI
Stress inversion from initial tensile to compressive side during ultrathin oxide growth of the Si(100) surface

Kitajima, M; Narushima, T; Kurashina, T; Itakura, AN; Takami, S; Yamada, A; Teraishi, K; Miyamoto, A

JOURNAL OF PHYSICS-CONDENSED MATTER 25 ( 35 ) 2013年09月04日

ISSN: 0953-8984

DOI
Ab initio-based approach to incorporation of N atoms on GaAs(001) surfaces

Sugitani, T; Akiyama, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 378 29 - 33 2013年09月01日

ISSN: 0022-0248

DOI
Ab initio-based approach to novel behavior of InAs wetting layer surface grown on GaAs(001)

Ito, T; Hirai, K; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 378 13 - 16 2013年09月01日

ISSN: 0022-0248

DOI
Ab initio-based approach to initial incorporation of Bi on |GaAs(001)-c(4 x 4)α surface

Murase, I; Akiyama, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 378 21 - 24 2013年09月01日

ISSN: 0022-0248

DOI
Effect of Co-evaporant Induced Crystallization on Needle Growth of Phthalocyanine Thin Films

Kaji, T; Nakao, S; Hiramoto, M

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 578 ( 1 ) 63 - 67 2013年09月01日

ISSN: 1542-1406

DOI
Evaluation of Barrier Width by Low-Frequency Capacitance Measurements for MoO3-doped p-Type C60 Films

Yoshioka, T; Kubo, M; Ishiyama, N; Kaji, T; Hiramoto, M

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 579 ( 1 ) 1 - 4 2013年09月01日

ISSN: 1542-1406

DOI
Photoirradiation Effect on Magnetic Susceptibility in Organic Superconductors

Iimori, T; Fujiwara, M; Ohta, N

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 578 ( 1 ) 44 - 49 2013年09月01日

ISSN: 1542-1406

DOI
Automated Search for Minimum Energy Conical Intersection Geometries between the Lowest Two Singlet States S0/S1-MECIs by the Spin-Flip TDDFT Method

Harabuchi, Y; Maeda, S; Taketsugu, T; Minezawa, N; Morokuma, K

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9 ( 9 ) 4116 - 4123 2013年09月

ISSN: 1549-9618

DOI
Crown Jewel catalyst: How neighboring atoms affect the catalytic activity of top Au atoms?

Zhang, HJ; Watanabe, T; Okumura, M; Haruta, M; Toshima, N

JOURNAL OF CATALYSIS 305 7 - 18 2013年09月

ISSN: 0021-9517

DOI
Diradicals

Abe, M

CHEMICAL REVIEWS 113 ( 9 ) 7011 - 7088 2013年09月

ISSN: 0009-2665

DOI
Quantitative measurement of hard X-ray spectra from laser-driven fast ignition plasma

Zhang, Z; Nishimura, H; Namimoto, T; Fujioka, S; Arikawa, Y; Nagatomo, H; Nakai, M; Ozaki, T; Koga, … 全著者表示

HIGH ENERGY DENSITY PHYSICS 9 ( 3 ) 435 - 438 2013年09月

ISSN: 1574-1818

DOI
Surface Functionalization of Supported Mn Clusters to Produce Robust Mn Catalysts for Selective Epoxidation

Muratsugu, S; Weng, Z; Tada, M

ACS CATALYSIS 3 ( 9 ) 2020 - 2030 2013年09月

ISSN: 2155-5435

DOI
The Catalytic Domain of Topological Knot tRNA Methyltransferase (TrmH) Discriminates between Substrate tRNA and Nonsubstrate tRNA via an Induced-fit Process

Ochi, A; Makabe, K; Yamagami, R; Hirata, A; Sakaguchi, R; Hou, YM; Watanabe, K; Nureki, O; Kuwajima … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 288 ( 35 ) 25562 - 25574 2013年08月30日

DOI
Compact XFEL and AMO sciences: SACLA and SCSS

Yabashi, M; Tanaka, H; Tanaka, T; Tomizawa, H; Togashi, T; Nagasono, M; Ishikawa, T; Harries, JR; H … 全著者表示

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 46 ( 16 ) 2013年08月28日

ISSN: 0953-4075

DOI
Polarization and site dependence of interatomic relaxation effects in double core hole states

Tashiro, M; Kryzhevoi, NV; Cederbaum, LS; Ehara, M

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 46 ( 16 ) 2013年08月28日

ISSN: 0953-4075

DOI
Resonance-enhanced three-photon single ionization of Ne by ultrashort extreme-ultraviolet pulses

Shigemasa, E; Nagasono, M; Iwayama, H; Harries, JR; Ishikawa, L

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 46 ( 16 ) 2013年08月28日

ISSN: 0953-4075

DOI
Towards coherent control of SASE pulses using propagation through helium gas at wavelengths corresponding to double excitation

Harries, JR; Nagasono, M; Iwayama, H; Shigemasa, E

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 46 ( 16 ) 2013年08月28日

ISSN: 0953-4075

DOI
Using covariance mapping to investigate the dynamics of multi-photon ionization processes of Ne atoms exposed to X-FEL pulses

Zhaunerchyk, V; Mucke, M; Salén, P; von der Meulen, P; Kaminska, M; Squibb, RJ; Frasinski, LJ; Sian … 全著者表示

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 46 ( 16 ) 2013年08月28日

ISSN: 0953-4075

DOI
Quantum Hall effect in multilayered massless Dirac fermion systems with tilted cones

Tajima, N; Yamauchi, T; Yamaguchi, T; Suda, M; Kawasugi, Y; Yamamoto, HM; Kato, R; Nishio, Y; Kajit … 全著者表示

PHYSICAL REVIEW B 88 ( 7 ) 2013年08月27日

ISSN: 1098-0121

DOI
Charge-dependent oxygen vacancy diffusion in Al2O3-based resistive-random-access-memories

Yang, MY; Kamiya, K; Magyari-Köpe, B; Niwa, M; Nishi, Y; Shiraishi, K

APPLIED PHYSICS LETTERS 103 ( 9 ) 2013年08月26日

ISSN: 0003-6951

DOI
Resonances in three-photon double ionization of Ar in intense extreme-ultraviolet free-electron laser fields studied by shot-by-shot photoelectron spectroscopy

Hikosaka, Y; Fushitani, M; Matsuda, A; Endo, T; Toida, Y; Shigemasa, E; Nagasono, M; Tono, K; Togas … 全著者表示

PHYSICAL REVIEW A 88 ( 2 ) 2013年08月23日

ISSN: 1050-2947

DOI
Non-Born-Oppenheimer potential energy curve: Hydrogen molecular ion with highly accurate free complement method

Nakashima, H; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 139 ( 7 ) 2013年08月21日

ISSN: 0021-9606

DOI
Substituent-Induced Intermolecular Interaction in Organic Crystals Revealed by Precise Band-Dispersion Measurements

Yamane, H; Kosugi, N

PHYSICAL REVIEW LETTERS 111 ( 8 ) 2013年08月21日

ISSN: 0031-9007

DOI
Theoretical study of the electronic excitations of free-base porphyrin-Ar2 van der Waals complexes

Fukuda, R; Ehara, M

JOURNAL OF CHEMICAL PHYSICS 139 ( 7 ) 2013年08月21日

ISSN: 0021-9606

DOI
Novel Formation of Ag/Au Bimetallic Nanoparticles by Physical Mixture of Monometallic Nanoparticles in Dispersions and Their Application to Catalysts for Aerobic Glucose Oxidation

Zhang, HJ; Haba, M; Okumura, M; Akita, T; Hashimoto, S; Toshima, N

LANGMUIR 29 ( 33 ) 10330 - 10339 2013年08月20日

ISSN: 0743-7463

DOI
Oxygen-Atom Transfer from Iodosylarene Adducts of a Manganese(IV) Salen Complex: Effect of Arenes and Anions on I(III) of the Coordinated Iodosylarene

Wang, C; Kurahashi, T; Inomata, K; Hada, M; Fujii, H

INORGANIC CHEMISTRY 52 ( 16 ) 9557 - 9566 2013年08月19日

ISSN: 0020-1669

DOI
Debromination of 1,2-Bis(phenylseleno)benzene Dibromide

Saito, M; Fujita, M; Kanatomi, Y; Ishimura, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 86 ( 8 ) 990 - 992 2013年08月15日

ISSN: 0009-2673

DOI
Electrochemical Reaction of Aqueous Iron Sulfate Solutions Studied by Fe L-Edge Soft X-ray Absorption Spectroscopy

Nagasaka, M; Yuzawa, H; Horigome, T; Hitchcock, AP; Kosugi, N

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 32 ) 16343 - 16348 2013年08月15日

ISSN: 1932-7447

DOI
Extraordinary Aggregation of Inorganic Anions in Chiral Metallosupramolecular Ionic Crystals

Lee, R; Igashira-Kamiyama, A; Okumura, M; Konno, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 86 ( 8 ) 908 - 920 2013年08月15日

ISSN: 0009-2673

DOI
Structural, electronic, and mechanical properties of niobium nitride prepared by thermal diffusion in nitrogen

Ufuktepe, Y; Farha, AH; Kimura, S; Hajiri, T; Karadag, F; Al Mamun, MA; Elmustafa, AA; Myneni, G; E … 全著者表示

MATERIALS CHEMISTRY AND PHYSICS 141 ( 1 ) 393 - 400 2013年08月15日

ISSN: 0254-0584

DOI
Decomposition-order effects of time integrator on ensemble averages for the Nose-Hoover thermostat

Itoh, SG; Morishita, T; Okumura, H

JOURNAL OF CHEMICAL PHYSICS 139 ( 6 ) 2013年08月14日

ISSN: 0021-9606

DOI
Energetics and electron states of Au/Ag incorporated into crystalline/amorphous silicon

Yang, MY; Kamiya, K; Yamauchi, T; Nakayama, T; Shiraishi, K

JOURNAL OF APPLIED PHYSICS 114 ( 6 ) 2013年08月14日

ISSN: 0021-8979

DOI
Dynamics of Hollow Atom Formation in Intense X-Ray Pulses Probed by Partial Covariance Mapping

Frasinski, LJ; Zhaunerchyk, V; Mucke, M; Squibb, RJ; Siano, M; Eland, JHD; Linusson, P; van der Meu … 全著者表示

PHYSICAL REVIEW LETTERS 111 ( 7 ) 2013年08月13日

ISSN: 0031-9007

DOI
Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl-Alkyne Coupling

Ikeda, Y; Mutoh, Y; Imai, K; Tsuchida, N; Takano, K; Ishii, Y

ORGANOMETALLICS 32 ( 15 ) 4353 - 4358 2013年08月12日

ISSN: 0276-7333

DOI
Facile Method of Halogen Exchange between Au(Cl)(L) and MeC(O)X (L = PPh3 and IPr; X = Br and I) via σ-Bond Metathesis Supported by DFT Calculation

Sanagawa, A; Kuniyasu, H; Iwasaki, T; Kambe, N; Bobuatong, K; Ehara, M

CHEMISTRY LETTERS 42 ( 8 ) 831 - 832 2013年08月05日

ISSN: 0366-7022

DOI
XPS of Oxygen Atoms on Ag(111) and Ag(110) Surfaces: Accurate Study with SAC/SAC-CI Combined with Dipped Adcluster Model

Ishikawa, A; Nakatsuji, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 21 ) 1828 - 1834 2013年08月05日

ISSN: 0192-8651

DOI
Cooperative Roles of Charge Transfer and Dispersion Terms in Hydrogen-Bonded Networks of (H2O)n, n=6, 11, and 16

Iwata, S; Bandyopadhyay, P; Xantheas, SS

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 30 ) 6641 - 6651 2013年08月01日

ISSN: 1089-5639

DOI
Discrete-time quantum walk with nitrogen-vacancy centers in diamond coupled to a superconducting flux qubit

Hardal, AÜC; Xue, P; Shikano, Y; Müstecaplioglu, ÖE; Sanders, BC

PHYSICAL REVIEW A 88 ( 2 ) 2013年08月01日

ISSN: 2469-9926

DOI
Photochromic Switching of Diradical Character: Design of Efficient Nonlinear Optical Switches

Okuno, K; Shigeta, Y; Kishi, R; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 4 ( 15 ) 2418 - 2422 2013年08月01日

ISSN: 1948-7185

DOI
A Recyclable "Boomerang" Linear Polystyrene-Stabilized Pd Nanoparticles for the Suzuki Coupling Reaction of Aryl Chlorides in Water

Ohtaka, A; Sakaguchi, E; Yamaguchi, T; Hamasaka, G; Uozumi, Y; Shimomura, O; Nomura, R

CHEMCATCHEM 5 ( 8 ) 2167 - 2169 2013年08月

ISSN: 1867-3880

DOI
A strained organic field-effect transistor with a gate-tunable superconducting channel

Yamamoto, HM; Nakano, M; Suda, M; Iwasa, Y; Kawasaki, M; Kato, R

NATURE COMMUNICATIONS 4 2013年08月

ISSN: 2041-1723

DOI
Ceria-Doped Ni/SBA-16 Catalysts for Dry Reforming of Methane

Zhang, SH; Muratsugu, S; Ishiguro, N; Tada, M

ACS CATALYSIS 3 ( 8 ) 1855 - 1864 2013年08月

ISSN: 2155-5435

DOI
Comparison of Luminescence Properties of CsI Crystals Activated with Ag-, Au-, and Tl+ Ions at Room Temperature

Kawai, T; Nagata, S; Hirai, T

JAPANESE JOURNAL OF APPLIED PHYSICS 52 ( 8 ) 2013年08月

ISSN: 0021-4922

DOI
Direct Synthesis of Phenol from Benzene and O2, Regulated by NH3 on Pt/β and Pt-Re/ZSM-5 Catalysts

Wang, LS; Yamamoto, S; Malwadkar, S; Nagamatsu, S; Sasaki, T; Hayashizaki, K; Tada, M; Iwasawa, Y

CHEMCATCHEM 5 ( 8 ) 2203 - 2206 2013年08月

ISSN: 1867-3880

DOI
Enhanced many-body effects in one-dimensional linear atomic chains

Fei, RX; Luo, GF; Wang, YY; Gao, ZX; Nagase, S; Yu, DP; Lu, J

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 250 ( 8 ) 1636 - 1643 2013年08月

ISSN: 0370-1972

DOI
Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II

Kurashige, Y; Chan, GKL; Yanai, T

NATURE CHEMISTRY 5 ( 8 ) 660 - 666 2013年08月

ISSN: 1755-4330

DOI
Nuclear magnetic resonance approaches for characterizing interactions between the bacterial chaperonin GroEL and unstructured proteins

Nishida, N; Yagi-Utsumi, M; Motojima, F; Yoshida, M; Shimada, I; Kato, K

JOURNAL OF BIOSCIENCE AND BIOENGINEERING 116 ( 2 ) 160 - 164 2013年08月

ISSN: 1389-1723

DOI
Polymeric Bimetallic Catalyst-Promoted In-Water Dehydrative Alkylation of Ammonia and Amines with Alcohols

Yamada, YMA; Ohta, H; Yuyama, Y; Uozumi, Y

SYNTHESIS-STUTTGART 45 ( 15 ) 2093 - 2100 2013年08月

ISSN: 0039-7881

DOI
Temperature Dependence of Highly Excited Exciton Polaritons in Semiconductor Microcavities

Horikiri, T; Matsuo, Y; Shikano, Y; Löffler, A; Höfling, S; Forchel, A; Yamamoto, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 82 ( 8 ) 2013年08月

ISSN: 0031-9015

DOI
Theoretical study on decay of molecular double core-hole state

Tashiro, M

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 189 19 - 23 2013年08月

ISSN: 0368-2048

DOI
DFT calculations for chlorine elimination from chlorine-adsorbed gold clusters by hydrogen

Tada, K; Sakata, K; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M

CHEMICAL PHYSICS LETTERS 579 94 - 99 2013年07月30日

ISSN: 0009-2614

DOI
Theoretical study on the diradical characters and third-order nonlinear optical properties of transition-metal heterodinuclear systems

Yamada, T; Inoue, Y; Champagne, B; Nakano, M

CHEMICAL PHYSICS LETTERS 579 73 - 77 2013年07月30日

ISSN: 0009-2614

DOI
Kinetic Stabilization and Reactivity of Single-Bonded Species: Effect of the Alkoxy Group on the Lifetime of Singlet 2,2-Dialkoxy-1,3-diphenyloctahydropentalene-1,3-diyls

Nakagaki, T; Sakai, T; Mizuta, T; Fujiwara, Y; Abe, M

CHEMISTRY-A EUROPEAN JOURNAL 19 ( 31 ) 10395 - 10404 2013年07月29日

ISSN: 0947-6539

DOI
Single-shot detection of mid-infrared spectra by chirped-pulse upconversion with four-wave difference frequency generation in gases

Nomura, Y; Wang, YT; Kozai, T; Shirai, H; Yabushita, A; Luo, CW; Nakanishi, S; Fuji, T

OPTICS EXPRESS 21 ( 15 ) 18249 - 18254 2013年07月29日

ISSN: 1094-4087

DOI
Chirality dependence of quantum thermal transport in carbon nanotubes at low temperatures: A first-principles study

Hata, T; Kawai, H; Ohto, T; Yamashita, K

JOURNAL OF CHEMICAL PHYSICS 139 ( 4 ) 2013年07月28日

ISSN: 0021-9606

DOI
Jet spectroscopy of buckybowl: Electronic and vibrational structures in the S0 and S1 states of triphenylene and sumanene

Kunishige, S; Kawabata, M; Baba, M; Yamanaka, T; Morita, Y; Higashibayashi, S; Sakurai, H

JOURNAL OF CHEMICAL PHYSICS 139 ( 4 ) 2013年07月28日

ISSN: 0021-9606

DOI
Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function

Saitow, M; Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL PHYSICS 139 ( 4 ) 2013年07月28日

ISSN: 0021-9606

DOI
Ultrafast dynamics of liquid water: Frequency fluctuations of the OH stretch and the HOH bend

Imoto, S; Xantheas, SS; Saito, S

JOURNAL OF CHEMICAL PHYSICS 139 ( 4 ) 2013年07月28日

ISSN: 0021-9606

DOI
The H/D-Exchange Kinetics of the Escherichia coli Co-Chaperonin GroES Studied by 2D NMR and DMSO-Quenched Exchange Methods

Chandak, MS; Nakamura, T; Makabe, K; Takenaka, T; Mukaiyama, A; Chaudhuri, TK; Kato, K; Kuwajima, K

JOURNAL OF MOLECULAR BIOLOGY 425 ( 14 ) 2541 - 2560 2013年07月24日

ISSN: 0022-2836

DOI
Local unitary transformation method toward practical electron correlation calculations with scalar relativistic effect in large-scale molecules

Seino, J; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 139 ( 3 ) 2013年07月21日

ISSN: 0021-9606

DOI
Parallel cascade selection molecular dynamics (PaCS-MD) to generate conformational transition pathway

Harada, R; Kitao, A

JOURNAL OF CHEMICAL PHYSICS 139 ( 3 ) 2013年07月21日

ISSN: 0021-9606

DOI
Interaction analysis of HIV-1 antibody 2G12 and Man9GlcNAc2 ligand: Theoretical calculations by fragment molecular orbital and MD methods

Koyama, Y; Ueno-Noto, K; Takano, K

CHEMICAL PHYSICS LETTERS 578 144 - 149 2013年07月18日

ISSN: 0009-2614

DOI
Theoretical studies of the structures and local aromaticity of conjugated polycyclic hydrocarbons using three aromatic indices

Sakai, S; Kita, Y

CHEMICAL PHYSICS LETTERS 578 49 - 53 2013年07月18日

ISSN: 0009-2614

DOI
Optical properties of the iron-based superconductor LiFeAs single crystal

Min, BH; Hong, JB; Yun, JH; Iizuka, T; Kimura, S; Bang, Y; Kwon, YS

NEW JOURNAL OF PHYSICS 15 2013年07月16日

ISSN: 1367-2630

DOI
A Blue-shifted Light-driven Proton Pump for Neural Silencing

Sudo, Y; Okazaki, A; Ono, H; Yagasaki, J; Sugo, S; Kamiya, M; Reissig, L; Inoue, K; Ihara, K; Kando … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 288 ( 28 ) 20624 - 20632 2013年07月12日

DOI
Binding and Aggregation Mechanism of Amyloid β-Peptides onto the GM1 Ganglioside-Containing Lipid Membrane

Hoshino, T; Mahmood, MI; Mori, K; Matsuzaki, K

JOURNAL OF PHYSICAL CHEMISTRY B 117 ( 27 ) 8085 - 8094 2013年07月11日

ISSN: 1520-6106

DOI
Optically engineered quantum interference of delocalized wave functions in a bulk solid: The example of solid para-hydrogen

Katsuki, H; Kayanuma, Y; Ohmori, K

PHYSICAL REVIEW B 88 ( 1 ) 2013年07月10日

ISSN: 1098-0121

DOI
Stereoelectronic Effect of Curved Aromatic Structures: Favoring the Unexpected endo Conformation of Benzylic-Substituted Sumanene

Higashibayashi, S; Onogi, S; Srivastava, HK; Sastry, GN; Wu, YT; Sakurai, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 52 ( 28 ) 7314 - 7316 2013年07月08日

ISSN: 1433-7851

DOI
Fundamental of Diradical-Character-Based Molecular Design for Singlet Fission

Minami, T; Ito, S; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 4 ( 13 ) 2133 - 2137 2013年07月04日

ISSN: 1948-7185

DOI
Visualizing the Optical Field Structures in Metal Nanostructures

Okamoto, H; Imura, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 4 ( 13 ) 2230 - 2241 2013年07月04日

ISSN: 1948-7185

DOI
Theory of chemical bonds in metalloenzymes XVIII. Importance of mixed-valence configurations for Mn5O5, CaMn4O5 and Ca2Mn3O5 clusters revealed by UB3LYP computations. A bio-inspired strategy for artificial photosynthesis

Yamaguchi, K; Kitagawa, Y; Isobe, H; Shoji, M; Yamanaka, S; Okumura, M

POLYHEDRON 57 138 - 149 2013年07月02日

ISSN: 0277-5387

DOI
Wavepacket interferometry for nuclear densities and flux densities

Bredtmann, T; Katsuki, H; Manz, J; Ohmori, K; Stemmle, C

MOLECULAR PHYSICS 111 ( 12-13 ) 1691 - 1696 2013年07月01日

ISSN: 0026-8976

DOI
π-Conjugated Trinuclear Group-9 Metalladithiolenes with a Triphenylene Backbone

Sakamoto, R; Kambe, T; Tsukada, S; Takada, K; Hoshiko, K; Kitagawa, Y; Okumura, M; Nishihara, H

INORGANIC CHEMISTRY 52 ( 13 ) 7411 - 7416 2013年07月01日

ISSN: 0020-1669

DOI
Angle-resolved photoemission spectroscopy on mixed-valent Sm1-x Y x S

Imura, K; Hajiri, T; Matsunami, M; Kimura, S; Kaneko, M; Ito, T; Nishi, Y; Sato, NK; Suzuki, HS

JOURNAL OF THE KOREAN PHYSICAL SOCIETY 62 ( 12 ) 2028 - 2031 2013年07月

ISSN: 0374-4884

DOI
Critical behavior of a filling-controlled Mott-transition observed at an organic field-effect-transistor interface

Yamamoto, HM; Ueno, J; Kato, R

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 222 ( 5 ) 1057 - 1063 2013年07月

ISSN: 1951-6355

DOI
Current-voltage characteristics and breakdown mechanism in one-dimensional band and mott insulators attached to electrodes

Tanaka, Y; Yonemitsu, K

JOURNAL OF THE KOREAN PHYSICAL SOCIETY 62 ( 12 ) 2164 - 2167 2013年07月

ISSN: 0374-4884

DOI
Enhancement of the solubility, thermal stability, and electronic properties of carbon nanotubes functionalized with MEH-PPV: a combined experimental and computational study

Prajongtat, P; Suramitr, S; Gleeson, MP; Mitsuke, K; Hannongbua, S

MONATSHEFTE FUR CHEMIE 144 ( 7 ) 925 - 935 2013年07月

ISSN: 0026-9247

DOI
From Discrete Time Quantum Walk to Continuous Time Quantum Walk in Limit Distribution

Shikano, Y

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 10 ( 7 ) 1558 - 1570 2013年07月

ISSN: 1546-1955

DOI
MODYLAS: A Highly Parallelized General-Purpose Molecular Dynamics Simulation Program for Large-Scale Systems with Long-Range Forces Calculated by Fast Multipole Method (FMM) and Highly Scalable Fine-Grained New Parallel Processing Algorithms

Andoh, Y; Yoshii, N; Fujimoto, K; Mizutani, K; Kojima, H; Yamada, A; Okazaki, S; Kawaguchi, K; Naga … 全著者表示

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9 ( 7 ) 3201 - 3209 2013年07月

ISSN: 1549-9618

DOI
Palm-top size megawatt peak power ultraviolet microlaser

Bhandari, R; Taira, T

OPTICAL ENGINEERING 52 ( 7 ) 2013年07月

ISSN: 0091-3286

DOI
Self-recognition of high-mannose type glycans mediating adhesion of embryonal fibroblasts

Yoon, SJ; Utkina, N; Sadilek, M; Yagi, H; Kato, K; Hakomori, S

GLYCOCONJUGATE JOURNAL 30 ( 5 ) 485 - 496 2013年07月

ISSN: 0282-0080

DOI
Sites of protonation and copper(II)-complexation in protic ionic liquids comprised of N-hexylethylenediaminium cation

Watanabe, M; Takemura, S; Kawakami, S; Syouno, E; Kurosu, H; Harada, M; Iida, M

JOURNAL OF MOLECULAR LIQUIDS 183 50 - 58 2013年07月

ISSN: 0167-7322

DOI
Survival Probability in a Quantum Walk on a One-Dimensional Lattice with Partially Absorbing Traps

Gönülol, M; Aydiner, E; Shikano, Y; Müstecaplioglu, ÖE

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 10 ( 7 ) 1596 - 1600 2013年07月

ISSN: 1546-1955

DOI
Tandem organic solar cells formed in co-deposited films by doping

Ishiyama, N; Kubo, M; Kaji, T; Hiramoto, M

ORGANIC ELECTRONICS 14 ( 7 ) 1793 - 1796 2013年07月

ISSN: 1566-1199

DOI
Acceleration effect of thiourea on the oxidation reaction of hypophosphite ion on Ni surface

Kunimoto, M; Endo, K; Nakai, H; Homma, T

ELECTROCHIMICA ACTA 100 311 - 316 2013年06月30日

ISSN: 0013-4686

DOI
Diradical character dependences of the first and second hyperpolarizabilities of asymmetric open-shell singlet systems

Nakano, M; Champagne, B

JOURNAL OF CHEMICAL PHYSICS 138 ( 24 ) 2013年06月28日

ISSN: 0021-9606

DOI
Absence and presence of Dirac electrons in silicene on substrates

Guo, ZX; Furuya, S; Iwata, J; Oshiyama, A

PHYSICAL REVIEW B 87 ( 23 ) 2013年06月27日

ISSN: 2469-9950

DOI
Atomic reconstruction and electron states at interfaces between 3C-SiC(111) and Si(110)

Abavare, EKK; Iwata, JI; Oshiyama, A

PHYSICAL REVIEW B 87 ( 23 ) 2013年06月27日

ISSN: 1098-0121

DOI
Electronic structure of Sc3N@C68

Hino, S; Ogasawara, N; Ohta, T; Yagi, H; Miyazaki, T; Nishi, T; Shinohara, H

CHEMICAL PHYSICS 421 39 - 43 2013年06月27日

ISSN: 0301-0104

DOI
Potential-Dependent Restructuring and Hysteresis in the Structural and Electronic Transformations of Pt/C, Au(Core)-Pt(Shell)/C, and Pd(Core)-Pt(Shell)/C Cathode Catalysts in Polymer Electrolyte Fuel Cells Characterized by in Situ X-ray Absorption Fine Structure

Nagamatsu, S; Arai, T; Yamamoto, M; Ohkura, T; Oyanagi, H; Ishizaka, T; Kawanami, H; Uruga, T; Tada … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 25 ) 13094 - 13107 2013年06月27日

ISSN: 1932-7447

DOI
Structural, Electronic, and Optical Properties of Bulk Graphdiyne

Luo, GF; Zheng, QY; Me, WN; Lu, J; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 25 ) 13072 - 13079 2013年06月27日

ISSN: 1932-7447

DOI
Ultrafast dynamics in C 1s core-excited CF4 revealed by two-dimensional resonant Auger spectroscopy

Piancastelli, MN; Guillemin, R; Simon, M; Iwayama, H; Shigemasa, E

JOURNAL OF CHEMICAL PHYSICS 138 ( 23 ) 2013年06月21日

ISSN: 0021-9606

DOI
Unique water-water coordination tailored by a metal surface

Schiros, T; Andersson, KJ; MacNaughton, J; Gladh, J; Matsuda, A; Öström, H; Takahashi, O; Pettersso … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 138 ( 23 ) 2013年06月21日

ISSN: 0021-9606

DOI
Defect pair separation as the controlling step in homogeneous ice melting

Mochizuki, K; Matsumoto, M; Ohmine, I

NATURE 498 ( 7454 ) 350 - 354 2013年06月20日

ISSN: 0028-0836

DOI
Distortion of the amide-I and -II bands of an α-helical membrane protein, pharaonis halorhodopsin, depends on thickness of gold films utilized for surface-enhanced infrared absorption spectroscopy

Guo, H; Kimura, T; Furutani, Y

CHEMICAL PHYSICS 419 8 - 16 2013年06月20日

ISSN: 0301-0104

DOI
Investigation of the chromophore binding cavity in the 11-cis acceptable microbial rhodopsin MR

Mori, A; Yagasaki, J; Homma, M; Reissig, L; Sudo, Y

CHEMICAL PHYSICS 419 23 - 29 2013年06月20日

ISSN: 0301-0104

DOI
Pressure-Induced Helical Structure of a Peptide Studied by Simulated Tempering Molecular Dynamics Simulations

Mori, Y; Okumura, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 4 ( 12 ) 2079 - 2083 2013年06月20日

ISSN: 1948-7185

DOI
SOLVING THE NON-BORN-OPPENHEIMER SCHRODINGER EQUATION FOR THE HYDROGEN MOLECULAR ION WITH THE FREE COMPLEMENT METHOD. II. HIGHLY ACCURATE ELECTRONIC, VIBRATIONAL, AND ROTATIONAL EXCITED STATES

Nakashima, H; Hijikata, Y; Nakatsuji, H

ASTROPHYSICAL JOURNAL 770 ( 2 ) 2013年06月20日

ISSN: 0004-637X

DOI
Sub-Doppler electronic spectra of the benzene-(He)n complexes

Hayashi, M; Ohshima, Y

CHEMICAL PHYSICS 419 131 - 137 2013年06月20日

ISSN: 0301-0104

DOI
Vibrational polarizabilities of hydrogen-bonded water

Torii, H

CHEMICAL PHYSICS 419 90 - 96 2013年06月20日

ISSN: 0301-0104

DOI
On-the-fly reconstruction of free-energy profiles using logarithmic mean-force dynamics

Morishita, T; Itoh, SG; Okumura, H; Mikami, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 16 ) 1375 - 1384 2013年06月15日

ISSN: 0192-8651

DOI
Correlated one-body potential from second-order Moller-Plesset perturbation theory: Alternative to orbital-optimized MP2 method

Lan, TN; Yanai, T

JOURNAL OF CHEMICAL PHYSICS 138 ( 22 ) 2013年06月14日

ISSN: 0021-9606

DOI
A quantum chemical study on polymerization catalysts for polyesters: Catalytic performance of chelated complexes of titanium

Shigemoto, I; Kawakami, T; Okumura, M

POLYMER 54 ( 13 ) 3297 - 3305 2013年06月07日

ISSN: 0032-3861

DOI
Molecular dynamics study of carbohydrate binding module mutants of fungal cellobiohydrolases

Shiiba, H; Hayashi, S; Yui, T

CARBOHYDRATE RESEARCH 374 96 - 102 2013年06月07日

ISSN: 0008-6215

DOI
Challenging Compounds for Calculating Hyperpolarizabilities: p-Quinodimethane Derivatives

de Wergifosse, M; Wautelet, F; Champagne, B; Kishi, R; Fukuda, K; Matsui, H; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 22 ) 4709 - 4715 2013年06月06日

ISSN: 1089-5639

DOI
Ab Initio QM/MM-MC Study on Hydrogen Transfer of Glycine Tautomerization in Aqueous Solution: Helmholtz Energy Changes along Water-mediated and Direct Processes

Miyamoto, H; Aida, M

CHEMISTRY LETTERS 42 ( 6 ) 598 - 600 2013年06月05日

ISSN: 0366-7022

DOI
NMR characterization of the interaction of GroEL with amyloid β as a model ligand

Yagi-Utsumi, M; Kunihara, T; Nakamura, T; Uekusa, Y; Makabe, K; Kuwajima, K; Kato, K

FEBS LETTERS 587 ( 11 ) 1605 - 1609 2013年06月05日

ISSN: 1873-3468

DOI
Selective Synthesis of [6]-, [8]-, and [10]Cycloparaphenylenes

Kayahara, E; Iwamoto, T; Suzuki, T; Yamago, S

CHEMISTRY LETTERS 42 ( 6 ) 621 - 623 2013年06月05日

ISSN: 0366-7022

DOI
Feature issue introduction: optical ceramics

Sanghera, J; Taira, T; Gaume, R

OPTICAL MATERIALS EXPRESS 3 ( 6 ) 904 - 907 2013年06月01日

ISSN: 2159-3930

DOI
Infrared spectroscopic studies on hydrogen-bonded water networks in gas phase clusters

Fujii, A; Mizuse, K

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY 32 ( 2 ) 266 - 307 2013年06月01日

ISSN: 0144-235X

DOI
Orientation control of micro-domains in anisotropic laser ceramics

Sato, Y; Akiyama, J; Taira, T

OPTICAL MATERIALS EXPRESS 3 ( 6 ) 829 - 841 2013年06月01日

ISSN: 2159-3930

DOI
Absence of Dirac Electrons in Silicene on Ag(111) Surfaces

Guo, ZX; Furuya, S; Iwata, J; Oshiyama, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 82 ( 6 ) 2013年06月

ISSN: 0031-9015

DOI
Development of an (e,2e) electron momentum spectroscopy apparatus using an ultrashort pulsed electron gun

Yamazaki, M; Kasai, Y; Oishi, K; Nakazawa, H; Takahashi, M

REVIEW OF SCIENTIFIC INSTRUMENTS 84 ( 6 ) 2013年06月

ISSN: 0034-6748

DOI
Energetics and Electronic Structures of Alkanes and Polyethylene Adsorbed on Graphene

Kamiya, K; Okada, S

JAPANESE JOURNAL OF APPLIED PHYSICS 52 ( 6 ) 2013年06月

ISSN: 0021-4922

DOI
Formation of Carbon Nanotube/n-Type 6H-SiC Heterojunction by Surface Decomposition of SiC and Its Electric Properties

Yajima, T; Sakakibara, S; Naritsuka, S; Yamane, H; Kosugi, N; Maruyama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 52 ( 6 ) 2013年06月

ISSN: 0021-4922

DOI
Intramolecular allosteric interaction in the phospholipase C-δ1 pleckstrin homology domain

Tanio, M; Nishimura, K

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1834 ( 6 ) 1034 - 1043 2013年06月

ISSN: 1570-9639

DOI
Origin of Fast Scintillation Components of LiCaAlF6 Crystals

Koshimizu, M; Yanagida, T; Fujimoto, Y; Yamazaki, A; Watanabe, K; Uritani, A; Fukuda, K; Kawaguchi, … 全著者表示

APPLIED PHYSICS EXPRESS 6 ( 6 ) 2013年06月

ISSN: 1882-0778

DOI
Structural and Magnetic Study of Cu x FeCr1-x O2 Oxides Under High External Magnetic Fields

Ozkendir, OM

JOURNAL OF ELECTRONIC MATERIALS 42 ( 6 ) 1055 - 1062 2013年06月

ISSN: 0361-5235

DOI
Structural changes in the molecular sheets along (hk0) planes derived from cellulose Iβ by molecular dynamics simulations

Miyamoto, H; Yamane, C; Ueda, K

CELLULOSE 20 ( 3 ) 1089 - 1098 2013年06月

ISSN: 0969-0239

DOI
Theoretical studies on [2+2+2] reaction mechanisms of three ethynes. More accurate estimation of activation energy

Sakai, S; Udagawa, T; Kato, S; Nakada, K

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 26 ( 6 ) 517 - 522 2013年06月

ISSN: 0894-3230

DOI
Transmission-grating spectrometer for highly efficient and high-resolution soft X-ray emission studies

Yamane, H; Kosugi, N; Hatsui, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 188 155 - 160 2013年06月

ISSN: 0368-2048

DOI
Linearity condition for orbital energies in density functional theory (III): Benchmark of total energies

Imamura, Y; Kobayashi, R; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 14 ) 1218 - 1225 2013年05月30日

ISSN: 0192-8651

DOI
ATP Dependent Rotational Motion of Group II Chaperonin Observed by X-ray Single Molecule Tracking

Sekiguchi, H; Nakagawa, A; Moriya, K; Makabe, K; Ichiyanagi, K; Nozawa, S; Sato, T; Adachi, S; Kuwa … 全著者表示

PLOS ONE 8 ( 5 ) 2013年05月29日

ISSN: 1932-6203

DOI
Ab initio theory for current-induced molecular switching: Melamine on Cu(001)

Ohto, T; Rungger, I; Yamashita, K; Nakamura, H; Sanvito, S

PHYSICAL REVIEW B 87 ( 20 ) 2013年05月28日

ISSN: 1098-0121

DOI
Lattice Distortion Stabilizes the Photoinduced Metallic Phase in the Charge-Ordered Organic Salts (BEDT-TTF)3X2 (X = ReO4, ClO4)

Takubo, N; Tajima, N; Yamamoto, HM; Cui, HB; Kato, R

PHYSICAL REVIEW LETTERS 110 ( 22 ) 2013年05月28日

ISSN: 0031-9007

DOI
Intrinsic reactivity index as a single scale directed toward both electrophilicity and nucleophilicity using frontier molecular orbitals

Kiyooka, S; Kaneno, D; Fujiyama, R

TETRAHEDRON 69 ( 21 ) 4247 - 4258 2013年05月27日

ISSN: 0040-4020

DOI
Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle-2-hole and 4-hole-2-particle excitations and their active-space extensions

Shen, J; Piecuch, P

JOURNAL OF CHEMICAL PHYSICS 138 ( 19 ) 2013年05月21日

ISSN: 0021-9606

DOI
Fragment-based configuration interaction wave function to calculate environmental effect on excited states in proteins and solutions

Hasegawa, JY

CHEMICAL PHYSICS LETTERS 571 77 - 81 2013年05月20日

ISSN: 0009-2614

DOI
Fermiology of the Strongly Spin-Orbit Coupled Superconductor Sn1-xInxTe: Implications for Topological Superconductivity

Sato, T; Tanaka, Y; Nakayama, K; Souma, S; Takahashi, T; Sasaki, S; Ren, Z; Taskin, AA; Segawa, K; … 全著者表示

PHYSICAL REVIEW LETTERS 110 ( 20 ) 2013年05月17日

ISSN: 0031-9007

DOI
Molecular Mechanisms of the Cytotoxicity of Human α-Lactalbumin Made Lethal to Tumor Cells (HAMLET) and Other Protein-Oleic Acid Complexes

Nakamura, T; Aizawa, T; Kariya, R; Okada, S; Demura, M; Kawano, K; Makabe, K; Kuwajima, K

JOURNAL OF BIOLOGICAL CHEMISTRY 288 ( 20 ) 14408 - 14416 2013年05月17日

DOI
Oxidative Addition of a Strained C-C Bond onto Electron-Rich Rhodium(I) at Room Temperature

Masuda, Y; Hasegawa, M; Yamashita, M; Nozaki, K; Ishida, N; Murakami, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 19 ) 7142 - 7145 2013年05月15日

ISSN: 0002-7863

DOI
An analytical continuation approach for evaluating emission lineshapes of molecular aggregates and the adequacy of multichromophoric Forster theory

Banchi, L; Costagliola, G; Ishizaki, A; Giorda, P

JOURNAL OF CHEMICAL PHYSICS 138 ( 18 ) 2013年05月14日

ISSN: 0021-9606

DOI
Diffusion of carbon oxides in SiO2 during SiC oxidation: A first-principles study

Akiyama, T; Nakamura, K; Ito, T; Kageshima, H; Uematsu, M

JOURNAL OF APPLIED PHYSICS 113 ( 18 ) 2013年05月14日

ISSN: 0021-8979

DOI
Substituent effect on the energy barrier for σ-bond formation from π-single-bonded species, singlet 2,2-dialkoxycyclopentane-1,3-diyls

Ye, JH; Fujiwara, Y; Abe, M

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 9 925 - 933 2013年05月14日

ISSN: 1860-5397

DOI
Vibronic effects on the low-lying electronic excitations in CO2 induced by electron impact

Watanabe, N; Hirayama, T; Suzuki, D; Takahashi, M

JOURNAL OF CHEMICAL PHYSICS 138 ( 18 ) 2013年05月14日

ISSN: 0021-9606

DOI
Equatorial ligand effects on the diradical character dependence of the second hyperpolarizabilities of open-shell singlet transition-metal dinuclear complexes

Inoue, Y; Yamada, T; Champagne, B; Nakano, M

CHEMICAL PHYSICS LETTERS 570 75 - 79 2013年05月10日

ISSN: 0009-2614

DOI
Novel Approach to Excited-State Calculations of Large Molecules Based on Divide-and-Conquer Method: Application to Photoactive Yellow Protein

Yoshikawa, T; Kobayashi, M; Fujii, A; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY B 117 ( 18 ) 5565 - 5573 2013年05月09日

ISSN: 1520-6106

DOI
Kosterlitz-Thouless-Type Transition in a Charge Ordered State of the Layered Organic Conductor α-(BEDT-TTF)2I3

Uji, S; Kodama, K; Sugii, K; Takahide, Y; Terashima, T; Kurita, N; Tsuchiya, S; Kohno, M; Kimata, M … 全著者表示

PHYSICAL REVIEW LETTERS 110 ( 19 ) 2013年05月08日

ISSN: 0031-9007

DOI
Macrodipole Moment of Polypeptides in β-Sheet and Its Prediction from Dipole Moments of Amino Acid Residues as Building Blocks: Alanine and Glycine in β-Strand

Mieda, S; Aida, M

CHEMISTRY LETTERS 42 ( 5 ) 473 - 475 2013年05月05日

ISSN: 0366-7022

DOI
Terminal Spin Labeling of a High-mannose-type Oligosaccharide for Quantitative NMR Analysis of Its Dynamic Conformation

Yamaguchi, T; Kamiya, Y; Choo, YM; Yamamoto, S; Kato, K

CHEMISTRY LETTERS 42 ( 5 ) 544 - 546 2013年05月05日

ISSN: 0366-7022

DOI
Excited-State Geometries of Heteroaromatic Compounds: A Comparative TD-DFT and SAC-CI Study

Bousquet, D; Fukuda, R; Maitarad, P; Jacquemin, D; Ciofini, I; Adamo, C; Ehara, M

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9 ( 5 ) 2368 - 2379 2013年05月

ISSN: 1549-9618

DOI
High Peak Power, Passively Q-Switched Yb:YAG/Cr:YAG Micro-Lasers

Tsunekane, M; Taira, T

IEEE JOURNAL OF QUANTUM ELECTRONICS 49 ( 5 ) 454 - 461 2013年05月

ISSN: 0018-9197

DOI
Observation of photo-induced insulator-to-metal transition in charge-ordered α-(BEDT-TTF)2I3 thin crystal by simultaneous transport and optical measurement

Takubo, N; Tajima, N; Yamamoto, HM; Kato, R

JOURNAL OF LUMINESCENCE 137 237 - 240 2013年05月

ISSN: 0022-2313

DOI
Photon-induced positron annihilation lifetime spectroscopy using ultrashort laser-Compton-scattered gamma-ray pulses

Taira, Y; Toyokawa, H; Kuroda, R; Yamamoto, N; Adachi, M; Tanaka, S; Katoh, M

REVIEW OF SCIENTIFIC INSTRUMENTS 84 ( 5 ) 2013年05月

ISSN: 0034-6748

DOI
Strongly hybridized electronic structure of YbAl2: An angle-resolved photoemission study

Matsunami, M; Hajiri, T; Miyazaki, H; Kosaka, M; Kimura, S

PHYSICAL REVIEW B 87 ( 16 ) 2013年04月30日

ISSN: 2469-9950

DOI
Phase selective growth and characterization of vanadium dioxide films on silicon substrates

Watanabe, T; Okimura, K; Hajiri, T; Kimura, S; Sakai, J

JOURNAL OF APPLIED PHYSICS 113 ( 16 ) 2013年04月28日

ISSN: 0021-8979

DOI
Theoretical and Experimental Studies on Vibrational Energy Relaxation of the CO Stretching Mode of Acetone in Alcohol Solutions

Higashi, M; Hirai, S; Banno, M; Ohta, K; Saito, S; Tominaga, K

JOURNAL OF PHYSICAL CHEMISTRY B 117 ( 16 ) 4723 - 4731 2013年04月25日

ISSN: 1520-6106

DOI
Ultrafast Excited-State Intramolecular Proton Transfer of Aloesaponarin I

Nagaoka, S; Uno, H; Huppert, D

JOURNAL OF PHYSICAL CHEMISTRY B 117 ( 16 ) 4347 - 4353 2013年04月25日

ISSN: 1520-6106

DOI
β-Arylation of Carboxamides via Iron-Catalyzed C(sp3)-H Bond Activation

Shang, R; Ilies, L; Matsumoto, A; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 16 ) 6030 - 6032 2013年04月24日

ISSN: 0002-7863

DOI
Different evolution of the intrinsic gap in strongly correlated SmB6 in contrast to YbB12

Yamaguchi, J; Sekiyama, A; Kimura, MY; Sugiyama, H; Tomida, Y; Funabashi, G; Komori, S; Balashov, T … 全著者表示

NEW JOURNAL OF PHYSICS 15 2013年04月23日

ISSN: 1367-2630

DOI
Facile Modulation of Optical Properties of Diketonate-Containing Polymers by Regulating Complexation Ratios with Boron

Tanaka, K; Tamashima, K; Nagai, A; Okawa, T; Chujo, Y

MACROMOLECULES 46 ( 8 ) 2969 - 2975 2013年04月23日

ISSN: 0024-9297

DOI
Raman Optical Activity Probing Structural Deformations of the 4-Hydroxycinnamyl Chromophore in Photoactive Yellow Protein

Shingae, T; Kubota, K; Kumauchi, M; Tokunaga, F; Unno, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 4 ( 8 ) 1322 - 1327 2013年04月18日

ISSN: 1948-7185

DOI
Single Photon K-2 and K-1K-1 Double Core Ionization in C2H2n (n=1-3), CO, and N2 as a Potential New Tool for Chemical Analysis

Nakano, M; Penent, F; Tashiro, M; Grozdanov, TP; Zitnik, M; Carniato, S; Selles, P; Andric, L; Labl … 全著者表示

PHYSICAL REVIEW LETTERS 110 ( 16 ) 2013年04月18日

ISSN: 0031-9007

DOI
Highly near-infrared emissive boron di(iso)indomethene-based polymer: Drastic change from deep-red to near-infrared emission via quantitative polymer reaction

Yoshii, R; Nagai, A; Tanaka, K; Chujo, Y

JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY 51 ( 8 ) 1726 - 1733 2013年04月15日

ISSN: 0887-624X

DOI
Nanooptical Studies on Physical and Chemical Characteristics of Noble Metal Nanostructures

Okamoto, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 86 ( 4 ) 397 - 413 2013年04月15日

ISSN: 0009-2673

DOI
Theoretical Study on the Excited Electronic States of Coronene and Its π-Extended Molecules Using the Symmetry-Adapted Cluster-Configuration Interaction Method

Fukuda, R; Ehara, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 86 ( 4 ) 445 - 451 2013年04月15日

ISSN: 0009-2673

DOI
A variety of characteristic behaviour of resonant KL23L23 Auger decays following Si K-shell photoexcitation of SiCl4

Suzuki, IH; Kono, Y; Sakai, K; Kimura, M; Ueda, K; Tamenori, Y; Takahashi, O; Nagaoka, S

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 46 ( 7 ) 2013年04月14日

ISSN: 0953-4075

DOI
Unconventional Magnetic and Thermodynamic Properties of S=1/2 Spin Ladder with Ferromagnetic Legs

Yamaguchi, H; Iwase, K; Ono, T; Shimokawa, T; Nakano, H; Shimura, Y; Kase, N; Kittaka, S; Sakakibar … 全著者表示

PHYSICAL REVIEW LETTERS 110 ( 15 ) 2013年04月10日

ISSN: 0031-9007

DOI
Generalized mechanism of the resistance switching in binary-oxide-based resistive random-access memories

Kamiya, K; Yang, MY; Nagata, T; Park, SG; Magyari-Köpe, B; Chikyow, T; Yamada, K; Niwa, M; Nishi, Y … 全著者表示

PHYSICAL REVIEW B 87 ( 15 ) 2013年04月08日

ISSN: 2469-9950

DOI
Microwave-Assisted Efficient One-Pot Synthesis of 9-Phenyl-9,10-disilatriptycene and Its Bridgehead Functionalization

Kuribara, T; Ishida, S; Kudo, T; Kyushin, S

ORGANOMETALLICS 32 ( 7 ) 2092 - 2098 2013年04月08日

ISSN: 0276-7333

DOI
Effect of heavy hydrogen isotopes on the vibrational line shape for supercritical water through rotational couplings

Yoshida, K; Matubayasi, N; Uosaki, Y; Nakahara, M

JOURNAL OF CHEMICAL PHYSICS 138 ( 13 ) 2013年04月07日

ISSN: 0021-9606

DOI
Meta-Para-Linked Octaaza[18]cyclophanes and Their Polycationic States

Sakamaki, D; Ito, A; Furukawa, K; Kato, T; Tanaka, K

JOURNAL OF ORGANIC CHEMISTRY 78 ( 7 ) 2947 - 2956 2013年04月05日

ISSN: 0022-3263

DOI
Quantum Chemical Study of Diels-Alder Reactions Catalyzed by Lewis Acid Activated Oxazaborolidines

Sakata, K; Fujimoto, H

JOURNAL OF ORGANIC CHEMISTRY 78 ( 7 ) 3095 - 3103 2013年04月05日

ISSN: 0022-3263

DOI
Synthesis of Substituted Sumanenes by Aromatic Electrophilic Substitution Reactions

Shrestha, BB; Karanjit, S; Panda, G; Higashibayashi, S; Sakurai, H

CHEMISTRY LETTERS 42 ( 4 ) 386 - 388 2013年04月05日

ISSN: 0366-7022

DOI
Large Spectral Change due to Amide Modes of a β-Sheet upon the Formation of an Early Photointermediate of Middle Rhodopsin

Furutani, Y; Okitsu, T; Reissig, L; Mizuno, M; Homma, M; Wada, A; Mizutani, Y; Sudo, Y

JOURNAL OF PHYSICAL CHEMISTRY B 117 ( 13 ) 3449 - 3458 2013年04月04日

ISSN: 1520-6106

DOI
Unique Ligand-Radical Character of an Activated Cobalt Salen Catalyst That Is Generated by Aerobic Oxidation of a Cobalt(II) Salen Complex

Kurahashi, T; Fujii, H

INORGANIC CHEMISTRY 52 ( 7 ) 3908 - 3919 2013年04月01日

ISSN: 0020-1669

DOI
Double Co-deposited Layered Organic Photovoltaic Cells with Sensitivity from Visible to Near-Infrared Regions

Yokoyama, K; Kaji, T; Hiramoto, M

JAPANESE JOURNAL OF APPLIED PHYSICS 52 ( 4 ) 2013年04月

ISSN: 0021-4922

DOI
Dynamics of intersubband transitions in triangular quantum wells due to static magnetic and laser fields

Dahiya, B; Prasad, V; Yamashita, K

JOURNAL OF LUMINESCENCE 136 240 - 248 2013年04月

ISSN: 0022-2313

DOI
Energetics and Electronic Structures of Alkanes Adsorbed on Carbon Nanotubes

Kamiya, K; Okada, S

JAPANESE JOURNAL OF APPLIED PHYSICS 52 ( 4 ) 2013年04月

ISSN: 0021-4922

DOI
Energy transfer from CsI host lattice to Ag- Centers in CsI:Ag- crystals

Nagata, S; Kawai, T; Hirai, T

OPTICAL MATERIALS 35 ( 6 ) 1257 - 1260 2013年04月

ISSN: 0925-3467

DOI
Highly Emissive Boron Ketoiminate Derivatives as a New Class of Aggregation-Induced Emission Fluorophores

Yoshii, R; Nagai, A; Tanaka, K; Chujo, Y

CHEMISTRY-A EUROPEAN JOURNAL 19 ( 14 ) 4506 - 4512 2013年04月

ISSN: 0947-6539

DOI
Improvement of Photovoltaic Characteristics by MoO3 Doping of Thick Hole-Transporting Films

Shinmura, Y; Kubo, M; Kaji, T; Hiramoto, M

JAPANESE JOURNAL OF APPLIED PHYSICS 52 ( 4 ) 2013年04月

ISSN: 0021-4922

DOI
Nanosized palladium-catalyzed Suzuki-Miyaura coupling polymerization: synthesis of soluble aromatic poly(ether ketone)s

Maeyama, K; Tsukamoto, T; Suzuki, M; Higashibayashi, S; Sakurai, H

POLYMER JOURNAL 45 ( 4 ) 401 - 405 2013年04月

ISSN: 0032-3896

DOI
Partial crystalline transformation of solvated cellulose IIII crystals, reproduced by theoretical calculations

Uto, T; Hosoya, T; Hayashi, S; Yui, T

CELLULOSE 20 ( 2 ) 605 - 612 2013年04月

ISSN: 0969-0239

DOI
Physical Guiding Principles for High Quality Resistive Random Access Memory Stack with Al2O3 Insertion Layer

Yang, MY; Kamiya, K; Magyari-Köpe, B; Momida, H; Ohno, T; Niwa, M; Nishi, Y; Shiraishi, K

JAPANESE JOURNAL OF APPLIED PHYSICS 52 ( 4 ) 2013年04月

ISSN: 0021-4922

DOI
The use of spin desalting columns in DMSO-quenched H/D-exchange NMR experiments

Chandak, MS; Nakamura, T; Takenaka, T; Chaudhuri, TK; Yagi-Utsumi, M; Chen, J; Kato, K; Kuwajima, K

PROTEIN SCIENCE 22 ( 4 ) 486 - 491 2013年04月

ISSN: 0961-8368

DOI
Theoretical investigation on temperature and pressure dependence of structural stability of InP thin layers grown on InP(111)A surface

Yamashita, T; Akiyama, T; Nakamura, K; Ito, T

SURFACE SCIENCE 610 16 - 21 2013年04月

ISSN: 0039-6028

DOI
Traces of Defects in the Electronic Structure of Porous Ni-Ti Alloys

Ozkendir, OM; Cengiz, E; Tirasoglu, E; Kaya, M; Karahan, IH; Orhan, N

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 29 ( 4 ) 344 - 348 2013年04月

ISSN: 1005-0302

DOI
Two-Dimensional Honeycomb Lattice Consisting of a New Organic Radical 2-Cl-6-F-V

Yamaguchi, H; Toho, A; Iwase, K; Ono, T; Kawakami, T; Shimokawa, T; Matsuo, A; Hosokoshi, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 82 ( 4 ) 2013年04月

ISSN: 0031-9015

DOI
Coulomb replica-exchange method: Handling electrostatic attractive and repulsive forces for biomolecules

Itoh, SG; Okumura, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 8 ) 622 - 639 2013年03月30日

ISSN: 0192-8651

DOI
Multiple length and time scales of dynamic heterogeneities in model glass-forming liquids: A systematic analysis of multi-point and multi-time correlations

Kim, K; Saito, S

JOURNAL OF CHEMICAL PHYSICS 138 ( 12 ) 2013年03月28日

ISSN: 0021-9606

DOI
σ-Bond Metathesis between M-X and RC(O)X′ (M = Pt, Pd; X, X′ = Cl, Br, I): Facile Determination of the Relative ΔG Values of the Oxidative Additions of RC(O)X to an M(0) Complex, Evidence by Density Functional Theory Calculations, and Synthetic Applications

Kuniyasu, H; Sanagawa, A; Nakane, D; Iwasaki, T; Kambe, N; Bobuatong, K; Lu, YP; Ehara, M

ORGANOMETALLICS 32 ( 6 ) 2026 - 2032 2013年03月25日

ISSN: 0276-7333

DOI
Synthesis, characterization and heterogeneous catalysis for water oxidation of a di-manganese complex with 4′-(4-pyridyl)-2,2′:6′,2"-terpyridine

Yamazaki, H; Ueno, T; Aiso, K; Hirahara, M; Aoki, T; Nagata, T; Igarashi, S; Yagi, M

POLYHEDRON 52 455 - 460 2013年03月22日

ISSN: 0277-5387

DOI
An Archaeal Homolog of Proteasome Assembly Factor Functions as a Proteasome Activator

Kumoi, K; Satoh, T; Murata, K; Hiromoto, T; Mizushima, T; Kamiya, Y; Noda, M; Uchiyama, S; Yagi, H; … 全著者表示

PLOS ONE 8 ( 3 ) 2013年03月21日

ISSN: 1932-6203

DOI
Anisotropic optical conductivity of the putative Kondo insulator CeRu4Sn6

Guritanu, V; Wissgott, P; Weig, T; Winkler, H; Sichelschmidt, J; Scheffler, M; Prokofiev, A; Kimura … 全著者表示

PHYSICAL REVIEW B 87 ( 11 ) 2013年03月21日

ISSN: 2469-9950

DOI
Solution Structure of the Q41N Variant of Ubiquitin as a Model for the Alternatively Folded N2 State of Ubiquitin

Kitazawa, S; Kameda, T; Yagi-Utsumi, M; Sugase, K; Baxter, NJ; Kato, K; Williamson, MP; Kitahara, R

BIOCHEMISTRY 52 ( 11 ) 1874 - 1885 2013年03月19日

ISSN: 0006-2960

DOI
Crystal structure and magnetic properties of honeycomb-like lattice antiferromagnet p-BIP-V2

Yamaguchi, H; Nagata, S; Tada, M; Iwase, K; Ono, T; Nishihara, S; Hosokoshi, Y; Shimokawa, T; Nakan … 全著者表示

PHYSICAL REVIEW B 87 ( 12 ) 2013年03月14日

ISSN: 2469-9950

DOI
4-Mercaptopyridine adsorbed on pure palladium island films: A combined SERS and DFT investigation

Guo, H; Ding, L; Zhang, TJ; Mo, YJ

JOURNAL OF MOLECULAR STRUCTURE 1035 231 - 235 2013年03月13日

ISSN: 0022-2860

DOI
Accordion-like Oscillation of Contracted and Stretched Helices of Polyacetylenes Synchronized with the Restricted Rotation of Side Chains

Yoshida, Y; Mawatari, Y; Motoshige, A; Motoshige, R; Hiraoki, T; Wagner, M; Müllen, K; Tabata, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 10 ) 4110 - 4116 2013年03月13日

ISSN: 0002-7863

DOI
Importance of spin-orbit coupling effect and solvent effect in electronic transition assignments of PtII complexes: In the case of cis/trans-[PtIICl2(NH3)2]

Mori, H; Kojima, R; Mochizuki, Y; Uenohara, W; Umezawa, I; Matsushita, N

JOURNAL OF MOLECULAR STRUCTURE 1035 218 - 223 2013年03月13日

ISSN: 0022-2860

DOI
Theoretical studies on the stabilities and reactivities of Ta3N5 (100) surfaces

Watanabe, E; Ushiyama, H; Yamashita, K

CHEMICAL PHYSICS LETTERS 561 57 - 62 2013年03月13日

ISSN: 0009-2614

DOI
Decay of a 2p Inner-Shell Hole in an Ar+ Ion

Huttula, SM; Lablanquie, P; Andric, L; Palaudoux, J; Huttula, M; Sheinerman, S; Shigemasa, E; Hikos … 全著者表示

PHYSICAL REVIEW LETTERS 110 ( 11 ) 2013年03月12日

ISSN: 0031-9007

DOI
Stereochemical evidence for stabilization of a nitrogen cation by neighboring chlorine or bromine

Ohwada, T; Tani, N; Sakamaki, Y; Kabasawa, Y; Otani, Y; Kawahata, M; Yamaguchi, K

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 110 ( 11 ) 4206 - 4211 2013年03月12日

ISSN: 0027-8424

DOI
Injection-seeded optical parametric amplifier for generating chirped nanosecond pulses

Miyake, S; Ohshima, Y

OPTICS EXPRESS 21 ( 5 ) 5269 - 5274 2013年03月11日

ISSN: 1094-4087

DOI
Ground-state phase diagram of the asymmetric Hubbard model with geometrical frustration

Yamaki, S; Seki, K; Ohta, Y

PHYSICAL REVIEW B 87 ( 12 ) 2013年03月08日

ISSN: 1098-0121

DOI
Single-Molecule X-Ray Interferometry: Controlling Coupled Electron-Nuclear Quantum Dynamics and Imaging Molecular Potentials by Ultrahigh-Resolution Resonant Photoemission and Ab Initio Calculations

Kimberg, V; Lindblad, A; Söderström, J; Travnikova, O; Nicolas, C; Sun, YP; Gel'mukhanov, F; Kosugi … 全著者表示

PHYSICAL REVIEW X 3 ( 1 ) 2013年03月08日

ISSN: 2160-3308

DOI
Extended Nature of the Molecular Dipole of Hydrogen-Bonded Water

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 9 ) 2044 - 2051 2013年03月07日

ISSN: 1089-5639

DOI
Frequency dependence of specific heat in supercooled liquid water and emergence of correlated dynamics

Saito, S; Ohmine, I; Bagchi, B

JOURNAL OF CHEMICAL PHYSICS 138 ( 9 ) 2013年03月07日

ISSN: 0021-9606

DOI
Signature of Singlet Open-Shell Character on the Optically Allowed Singlet Excitation Energy and Singlet-Triplet Energy Gap

Minami, T; Ito, S; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 9 ) 2000 - 2006 2013年03月07日

ISSN: 1089-5639

DOI
Stability calculations for Eu@C74 isomers

Uhlík, F; Slanina, Z; Lee, SL; Adamowicz, L; Nagase, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 5 ) 729 - 733 2013年03月05日

ISSN: 0020-7608

DOI
Synthesis, Structure, and Electronic Properties of Benzohexasilabicyclo[2.2.2]octene

Toma, Y; Kuribara, T; Iizuka, T; Nagashima, H; Kyushin, S

CHEMISTRY LETTERS 42 ( 3 ) 250 - 252 2013年03月05日

ISSN: 0366-7022

DOI
Spatial arrangement and functional role of α subunits of proteasome activator PA28 in hetero-oligomeric form

Sugiyama, M; Sahashi, H; Kurimoto, E; Takata, S; Yagi, H; Kanai, K; Sakata, E; Minami, Y; Tanaka, K … 全著者表示

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 432 ( 1 ) 141 - 145 2013年03月01日

ISSN: 0006-291X

DOI
Substituent Effect on Reactivity of Triplet Excited State of 2,3-Diazabicyclo[2.2.1]hept-2-enes, DBH Derivatives: α C-N Bond Cleavage versus β C-C Bond Cleavage

Abe, M; Watanabe, S; Tamura, H; Boinapally, S; Kanahara, K; Fujiwara, Y

JOURNAL OF ORGANIC CHEMISTRY 78 ( 5 ) 1940 - 1948 2013年03月01日

ISSN: 0022-3263

DOI
Cutoff Effect in the Nose-Poincare and Nose-Hoover Thermostats

Sakaguchi, T; Okumura, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 82 ( 3 ) 2013年03月

ISSN: 0031-9015

DOI
Endoplasmic reticulum lectin XTP3-B inhibits endoplasmic reticulum-associated degradation of a misfolded α1-antitrypsin variant

Fujimori, T; Kamiya, Y; Nagata, K; Kato, K; Hosokawa, N

FEBS JOURNAL 280 ( 6 ) 1563 - 1575 2013年03月

ISSN: 1742-464X

DOI
Generation of Phase-Stable Sub-Cycle Mid-Infrared Pulses from Filamentation in Nitrogen

Fuji, T; Nomura, Y

APPLIED SCIENCES-BASEL 3 ( 1 ) 122 - 138 2013年03月

ISSN: 2076-3417

DOI
Growth of side facets in InP nanowires: First-principles-based approach

Yamashita, T; Akiyama, T; Nakamura, K; Ito, T

SURFACE SCIENCE 609 207 - 214 2013年03月

ISSN: 0039-6028

DOI
The Synthesis of Hexafluorosumanene and Its Congeners

Schmidt, BM; Topolinski, B; Higashibayashi, S; Kojima, T; Kawano, M; Lentz, D; Sakurai, H

CHEMISTRY-A EUROPEAN JOURNAL 19 ( 10 ) 3282 - 3286 2013年03月

ISSN: 0947-6539

DOI
X-ray observation of a helium atom and placing a nitrogen atom inside He@C60 and He@C70

Morinaka, Y; Sato, S; Wakamiya, A; Nikawa, H; Mizorogi, N; Tanabe, F; Murata, M; Komatsu, K; Furuka … 全著者表示

NATURE COMMUNICATIONS 4 2013年03月

ISSN: 2041-1723

DOI
Molecular-frame (e,2e) experiment for N2 at large momentum transfer

Jones, DB; Yamazaki, M; Watanabe, N; Takahashi, M

PHYSICAL REVIEW A 87 ( 2 ) 2013年02月27日

ISSN: 1050-2947

DOI
Free-energy analysis of lysozyme-triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation

Takemura, K; Burri, RR; Ishikawa, T; Ishikura, T; Sakuraba, S; Matubayasi, N; Kuwata, K; Kitao, A

CHEMICAL PHYSICS LETTERS 559 94 - 98 2013年02月20日

ISSN: 0009-2614

DOI
Molecularly Imprinted Ru Complex Catalysts Integrated on Oxide Surfaces

Muratsugu, S; Tada, M

ACCOUNTS OF CHEMICAL RESEARCH 46 ( 2 ) 300 - 311 2013年02月19日

ISSN: 0001-4842

DOI
Long-Range Magnetic Ordering at 5.5 K for Cobalt(II)-Hydroxide Diamond Chains Isolated by 17 Å with α-Phenylcinnamate

Oka, Y; Inoue, K; Kumagai, H; Kurmoo, M

INORGANIC CHEMISTRY 52 ( 4 ) 2142 - 2149 2013年02月18日

ISSN: 0020-1669

DOI
Absorption and emission properties of various substituted cinnamic acids and cinnamates, based on TDDFT investigation

Promkatkaew, M; Suramitr, S; Karpkird, T; Ehara, M; Hannongbua, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 542 - 554 2013年02月15日

ISSN: 0020-7608

DOI
Antidot effects on the open-shell characters and second hyperpolarizabilities of rectangular graphene nanoflakes

Yoneda, K; Minamide, S; Yamada, T; Ito, S; Minami, T; Kishi, R; Shigeta, Y; Nakano, M

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 605 - 611 2013年02月15日

ISSN: 0020-7608

DOI
Comparative study of diradical characters and third-order nonlinear optical properties of linear/cyclic acenes versus phenylenes

Muhammad, S; Minami, T; Fukui, H; Yoneda, K; Minamide, S; Kishi, R; Shigeta, Y; Nakano, M

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 592 - 598 2013年02月15日

ISSN: 0020-7608

DOI
Diradicalology in third-order nonlinear optical systems: Second hyperpolarizabilities of acetylene-linked phenalenyl-based superpolyenes

Nakano, M; Kishi, R; Fukui, H; Minami, T; Yoneda, K; Minamide, S; Inoue, Y; Yamada, T; Ito, S; Muha … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 585 - 591 2013年02月15日

ISSN: 0020-7608

DOI
Divide-and-conquer-based quantum chemical study for interaction between HIV-1 reverse transcriptase and MK-4965 inhibitor

Saparpakorn, P; Kobayashi, M; Hannongbua, S; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 510 - 517 2013年02月15日

ISSN: 0020-7608

DOI
Excitation energy transfer in GFP-X-CFP model peptides (X = amino acids): Direct Versus through-bridge energy transfers

Kawatsu, T; Hasegawa, J

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 563 - 568 2013年02月15日

ISSN: 0020-7608

DOI
Full geometry optimizations of the mixed-valence CaMn4O4X(H2O)4 (X=OH or O) cluster in OEC of PS II: Degree of symmetry breaking of the labile Mn-X-Mn bond revealed by several hybrid DFT calculations

Yamaguchi, K; Isobe, H; Yamanaka, S; Saito, T; Kanda, K; Shoji, M; Umena, Y; Kawakami, K; Shen, JR; … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 525 - 541 2013年02月15日

ISSN: 0020-7608

DOI
Mechanism of the aerobic oxidation of methanol to formic acid on Au8-: A DFT study

Karanjit, S; Bobuatong, K; Fukuda, R; Ehara, M; Sakurai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 428 - 436 2013年02月15日

ISSN: 0020-7608

DOI
ONIOM Study of the Mechanism of Olefin Hydrogenation by the Wilkinson's Catalyst: Reaction Paths and Energy Surfaces of trans- and cis-Forms

Matsubara, T; Takahashi, R; Asai, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 86 ( 2 ) 243 - 254 2013年02月15日

ISSN: 0009-2673

DOI
Oxygen activation and dissociation on h-BN supported Au atoms

Gao, M; Lyalin, A; Taketsugu, T

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 443 - 452 2013年02月15日

ISSN: 0020-7608

DOI
The nature of chemical bonds of the CaMn4O5 cluster in oxygen evolving complex of photosystem II: Jahn-Teller distortion and its suppression by Ca doping in cubane structures

Yamaguchi, K; Yamanaka, S; Isobe, H; Saito, T; Kanda, K; Umena, Y; Kawakami, K; Shen, JR; Kamiya, N … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 453 - 473 2013年02月15日

ISSN: 0020-7608

DOI
Theoretical investigation for the stability of the concave-bound cyclopentadienyl iron complex of sumanene

Okumura, M; Nakanishi, Y; Kinoshita, K; Yamada, S; Kitagawa, Y; Kawakami, T; Yamanaka, S; Amaya, T; … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 437 - 442 2013年02月15日

ISSN: 0020-7608

DOI
Theoretical studies of electrostatic effect of protein environment on electronic structures and chemical indices of the active site of oxygenated and deoxygenated hemerythrin

Takano, Y; Yamaguchi, K; Nakamura, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 4 ) 497 - 503 2013年02月15日

ISSN: 0020-7608

DOI
A multireference perturbation study of the NN stretching frequency of trans-azobenzene in nπ* excitation and an implication for the photoisomerization mechanism

Harabuchi, Y; Ishii, M; Nakayama, A; Noro, T; Taketsugu, T

JOURNAL OF CHEMICAL PHYSICS 138 ( 6 ) 2013年02月14日

ISSN: 0021-9606

DOI
Amino-acid-dependent main-chain torsion-energy terms for protein systems

Sakae, Y; Okamoto, Y

JOURNAL OF CHEMICAL PHYSICS 138 ( 6 ) 2013年02月14日

ISSN: 0021-9606

DOI
Optical Field Imaging of Elongated Rectangular Nanovoids in Gold Thin Film

Imura, K; Ueno, K; Misawa, H; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 117 ( 6 ) 2449 - 2454 2013年02月14日

ISSN: 1932-7447

DOI
Anisotropic Thermal Expansion and Cooperative Invar and Anti-Invar Effects in Mn Alloys

Yokoyama, T; Eguchi, K

PHYSICAL REVIEW LETTERS 110 ( 7 ) 2013年02月13日

ISSN: 0031-9007

DOI
Far-infrared optical conductivity of CeCu2Si2

Sichelschmidt, J; Herzog, A; Jeevan, HS; Geibel, C; Steglich, F; Iizuka, T; Kimura, S

JOURNAL OF PHYSICS-CONDENSED MATTER 25 ( 6 ) 2013年02月13日

ISSN: 0953-8984

DOI
Nucleotide-induced conformational changes of tetradecameric GroEL mapped by H/D exchange monitored by FT-ICR mass spectrometry

Zhang, Q; Chen, J; Kuwajima, K; Zhang, HM; Xian, F; Young, NL; Marshall, AG

SCIENTIFIC REPORTS 3 2013年02月13日

ISSN: 2045-2322

DOI
Formation and decay of core-orbital vacancies in the water molecule

Mucke, M; Eland, JHD; Takahashi, O; Linusson, P; Lebrun, D; Ueda, K; Feifel, R

CHEMICAL PHYSICS LETTERS 558 82 - 87 2013年02月12日

ISSN: 0009-2614

DOI
Stable isotope-assisted NMR characterization of interaction between lipid A and sarcotoxin IA, a cecropin-type antibacterial peptide

Yagi-Utsumi, M; Yamaguchi, Y; Boonsri, P; Iguchi, T; Okemoto, K; Natori, S; Kato, K

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 431 ( 2 ) 136 - 140 2013年02月08日

ISSN: 0006-291X

DOI
Characterization of a Solvent-Separated Ion-Radical Pair in Cationized Water Networks: Infrared Photodissociation and Ar-Attachment Experiments for Water Cluster Radical Cations (H2O)n+ (n=3-8)

Mizuse, K; Fujii, A

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 5 ) 929 - 938 2013年02月07日

ISSN: 1089-5639

DOI
Exploring the Active Site Structure of a Photoreceptor Protein by Raman Optical Activity

Unno, M; Kikukawa, T; Kumauchi, M; Kamo, N

JOURNAL OF PHYSICAL CHEMISTRY B 117 ( 5 ) 1321 - 1325 2013年02月07日

ISSN: 1520-6106

DOI
Molecular origin of the difference in the HOH bend of the IR spectra between liquid water and ice

Imoto, S; Xantheas, SS; Saito, S

JOURNAL OF CHEMICAL PHYSICS 138 ( 5 ) 2013年02月07日

ISSN: 0021-9606

DOI
Structure of 1-naphthol-water clusters in the S1 state studied by UV-IR fluorescence dip spectroscopy and ab initio molecular orbital calculations

Shimizu, T; Yoshino, R; Ishiuchi, SI; Hashimoto, K; Miyazaki, M; Fujii, M

CHEMICAL PHYSICS LETTERS 557 19 - 25 2013年02月05日

ISSN: 0009-2614

DOI
Substituent R-effects on the core-electron excitation spectra of hydrogen-bonded carboxylic-acid (R-COOH) clusters: Comparison between acetic-acid and formic-acid clusters

Tabayashi, K; Takahashi, O; Namatame, H; Taniguchi, M

CHEMICAL PHYSICS LETTERS 557 1 - 9 2013年02月05日

ISSN: 0009-2614

DOI
Synthesis of Silyl-substituted Anthracene Derivatives via Birch-type Silylation

Kanno, K; Maemura, Y; Kobayashi, N; Kyushin, S

CHEMISTRY LETTERS 42 ( 2 ) 112 - 114 2013年02月05日

ISSN: 0366-7022

DOI
Free-energy analyses of a proton transfer reaction by simulated-tempering umbrella sampling and first-principles molecular dynamics simulations

Mori, Y; Okamoto, Y

PHYSICAL REVIEW E 87 ( 2 ) 2013年02月04日

ISSN: 1539-3755

DOI
Accelerating convergence in the antisymmetric product of strongly orthogonal geminals method

Tarumi, M; Kobayashi, M; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 3 ) 239 - 244 2013年02月03日

ISSN: 0020-7608

DOI
Combination of approximate spin-projection and spin-restricted calculations based on ONIOM method for geometry optimization of large biradical systems

Kitagawa, Y; Yasuda, N; Hatake, H; Saito, T; Kataoka, Y; Matsui, T; Kawakami, T; Yamanaka, S; Okumu … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 3 ) 290 - 295 2013年02月03日

ISSN: 0020-7608

DOI
Divide-and-conquer-based symmetry adapted cluster method: Synergistic effect of subsystem fragmentation and configuration selection

Yoshikawa, T; Kobayashi, M; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 3 ) 218 - 223 2013年02月03日

ISSN: 0020-7608

DOI
Functional dependence of excitation energy for pentacene/C60 model complex in the nonempirically tuned long-range corrected density functional theory

Minami, T; Ito, S; Nakano, M

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 3 ) 252 - 256 2013年02月03日

ISSN: 0020-7608

DOI
Linear response function approach for the boundary problem of QM/MM methods

Ueda, K; Yamanaka, S; Nakata, K; Ehara, M; Okumura, M; Yamaguchi, K; Nakamura, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 3 ) 336 - 341 2013年02月03日

ISSN: 0020-7608

DOI
Linearity condition for orbital energies in density functional theory (IV): Determination of range-determining parameter

Imamura, Y; Kobayashi, R; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 3 ) 245 - 251 2013年02月03日

ISSN: 0020-7608

DOI
Quantal cumulant mechanics and dynamics for multidimensional quantum many-body clusters

Shigeta, Y; Inui, T; Baba, T; Okuno, K; Kuwabara, H; Kishi, R; Nakano, M

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 3 ) 348 - 355 2013年02月03日

ISSN: 0020-7608

DOI
Self-consistent field treatment and analytical energy gradient of local response dispersion method

Ikabata, Y; Sato, T; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113 ( 3 ) 257 - 262 2013年02月03日

ISSN: 0020-7608

DOI
Improvement of the backbone-torsion-energy term in the force field for protein systems by the double Fourier series expansion

Sakae, Y; Okamoto, Y

MOLECULAR SIMULATION 39 ( 2 ) 85 - 93 2013年02月01日

ISSN: 0892-7022

DOI
Saturation of the laser-induced narrowband coherent synchrotron radiation process: Experimental observation at a storage ring

Hosaka, M; Yamamoto, N; Takashima, Y; Szwaj, C; Le Parquier, M; Evain, C; Bielawski, S; Adachi, M; … 全著者表示

PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS 16 ( 2 ) 2013年02月01日

ISSN: 1098-4402

DOI
Experimental and theoretical study of X-ray absorption around the chlorine L edge in vinyl chloride

Kawerk, E; Carniato, S; Iwayama, H; Shigemasa, E; Piancastelli, MN; Wassaf, J; Khoury, A; Simon, M

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 186 1 - 7 2013年02月

ISSN: 0368-2048

DOI
Hard X-ray Time-Resolved/Space-Resolved X-ray Absorption Fine Structure Analysis for Heterogeneous Metal Catalysts

Tada, M

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 82 ( 2 ) 2013年02月

ISSN: 0031-9015

DOI
Infrared and Terahertz Spectroscopy of Strongly Correlated Electron Systems under Extreme Conditions

Kimura, S; Okamura, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 82 ( 2 ) 2013年02月

ISSN: 0031-9015

DOI
Photostimulated detection of defect formation in BaF2 under irradiation of synchrotron radiation

Watanabe, M; Azuma, J; Asaka, S; Tsujibayashi, T; Arimoto, O; Nakanishi, S; Itoh, H; Kamada, M

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 250 ( 2 ) 396 - 401 2013年02月

ISSN: 0370-1972

DOI
Preparation, Crystal Structure, and Magnetic Properties of a New Dithiolene Ligand, 1,3,2-Dithiazole-4-thione-5-thiolate, and its Metal Complex

Nakamura, T; Sasamori, K; Kodama, T; Kikuchi, K; Fujita, W

CHEMISTRY-AN ASIAN JOURNAL 8 ( 2 ) 348 - 350 2013年02月

ISSN: 1861-4728

DOI
Replica exchange molecular dynamics simulation of chitosan for drug delivery system based on carbon nanotube

Rungnim, C; Rungrotmongkol, T; Hannongbua, S; Okumura, H

JOURNAL OF MOLECULAR GRAPHICS & MODELLING 39 183 - 192 2013年02月

ISSN: 1093-3263

DOI
Structural insights into the stability perturbations induced by N-terminal variation in human and goat α-lactalbumin

Makabe, K; Nakamura, T; Kuwajima, K

PROTEIN ENGINEERING DESIGN & SELECTION 26 ( 2 ) 165 - 170 2013年02月

ISSN: 1741-0126

DOI
Dicationic versus Monocationic Ionic Liquids: Distinctive Ionic Dynamics and Dynamical Heterogeneity

Ishida, T; Shirota, H

JOURNAL OF PHYSICAL CHEMISTRY B 117 ( 4 ) 1136 - 1150 2013年01月31日

ISSN: 1520-6106

DOI
Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level

Konishi, A; Hirao, Y; Matsumoto, K; Kurata, H; Kishi, R; Shigeta, Y; Nakano, M; Tokunaga, K; Kamada … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 4 ) 1430 - 1437 2013年01月30日

ISSN: 0002-7863

DOI
Assessment of local response dispersion method for open-shell systems

Ikabata, Y; Nakai, H

CHEMICAL PHYSICS LETTERS 556 386 - 392 2013年01月29日

ISSN: 0009-2614

DOI
Magnetic circular dichroism spectroscopy and electronic structures of C3 symmetry buckybowls

Mack, J; Morita, Y; Higashibayashi, S; Sakurai, H; Kobayashi, N

CHEMICAL PHYSICS LETTERS 556 188 - 194 2013年01月29日

ISSN: 0009-2614

DOI
An effective energy gradient expression for divide-and-conquer second-order Moller-Plesset perturbation theory

Kobayashi, M; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 138 ( 4 ) 2013年01月28日

ISSN: 0021-9606

DOI
Native-State Heterogeneity of β2-Microglobulin as Revealed by Kinetic Folding and Real-Time NMR Experiments

Mukaiyama, A; Nakamura, T; Makabe, K; Maki, K; Goto, Y; Kuwajima, K

JOURNAL OF MOLECULAR BIOLOGY 425 ( 2 ) 257 - 272 2013年01月23日

ISSN: 0022-2836

DOI
The Molten Globule of β2-Microglobulin Accumulated at pH 4 and Its Role in Protein Folding

Mukaiyama, A; Nakamura, T; Makabe, K; Maki, K; Goto, Y; Kuwajima, K

JOURNAL OF MOLECULAR BIOLOGY 425 ( 2 ) 273 - 291 2013年01月23日

ISSN: 0022-2836

DOI
CO oxidation on h-BN supported Au atom

Gao, M; Lyalin, A; Taketsugu, T

JOURNAL OF CHEMICAL PHYSICS 138 ( 3 ) 2013年01月21日

ISSN: 0021-9606

DOI
Control of Crystallinity and Porosity of Covalent Organic Frameworks by Managing Interlayer Interactions Based on Self-Complementary π-Electronic Force

Chen, X; Addicoat, M; Irle, S; Nagai, A; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 2 ) 546 - 549 2013年01月16日

ISSN: 0002-7863

DOI
Orthorhombic-to-monoclinic phase transition of Ta2NiSe5 induced by the Bose-Einstein condensation of excitons

Kaneko, T; Toriyama, T; Konishi, T; Ohta, Y

PHYSICAL REVIEW B 87 ( 3 ) 2013年01月16日

ISSN: 1098-0121

DOI
Divide-and-Conquer Electronic-Structure Study on the Mechanism of the West Nile Virus NS3 Protease Inhibitor

Saparpakorn, P; Kobayashi, M; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 86 ( 1 ) 67 - 74 2013年01月15日

ISSN: 0009-2673

DOI
Self-Assembled Nanowires with Giant Rashba Split Bands

Park, J; Jung, SW; Jung, MC; Yamane, H; Kosugi, N; Yeom, HW

PHYSICAL REVIEW LETTERS 110 ( 3 ) 2013年01月15日

ISSN: 0031-9007

DOI
The Open Gate Structure of the Membrane-Embedded KcsA Potassium Channel Viewed From the Cytoplasmic Side

Sumino, A; Sumikama, T; Iwamoto, M; Dewa, T; Oiki, S

SCIENTIFIC REPORTS 3 2013年01月15日

ISSN: 2045-2322

DOI
A local chemical environment effect in site-specific Auger spectra of ethyl trifluoroacetate

Iwayama, H; Sisourat, N; Lablanquie, P; Penent, F; Palaudoux, J; Andric, L; Eland, JHD; Bucar, K; Z … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 138 ( 2 ) 2013年01月14日

ISSN: 0021-9606

DOI
Cascade Auger decays following Si KL23L23 Auger transitions in SiF4

Suzuki, IH; Kono, Y; Ikeda, A; Oi, M; Ouchi, T; Ueda, K; Tamenori, Y; Takahashi, O; Nagaoka, S

JOURNAL OF CHEMICAL PHYSICS 138 ( 2 ) 2013年01月14日

ISSN: 0021-9606

DOI
18-μJ energy, 160-kHz repetition rate, 250-MW peak power mid-IR OPCPA

Hemmer, M; Thai, A; Baudisch, M; Ishizuki, H; Taira, T; Biegert, J

CHINESE OPTICS LETTERS 11 ( 1 ) 2013年01月10日

ISSN: 1671-7694

DOI
Helical Structure and Circular Dichroism Spectra of DNA: A Theoretical Study

Miyahara, T; Nakatsuji, H; Sugiyama, H

JOURNAL OF PHYSICAL CHEMISTRY A 117 ( 1 ) 42 - 55 2013年01月10日

ISSN: 1089-5639

DOI
Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor

Kamada, K; Fuku-en, S; Minamide, S; Ohta, K; Kishi, R; Nakano, M; Matsuzaki, H; Okamoto, H; Higashi … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 135 ( 1 ) 232 - 241 2013年01月09日

ISSN: 0002-7863

DOI
Nitridation of Al2O3 Surfaces: Chemical and Structural Change Triggered by Oxygen Desorption

Akiyama, T; Saito, Y; Nakamura, K; Ito, T

PHYSICAL REVIEW LETTERS 110 ( 2 ) 2013年01月07日

ISSN: 0031-9007

DOI
Optical properties of fully and partially fluorinated rubrene in films and solution

Anger, F; Scholz, R; Adamski, E; Broch, K; Gerlach, A; Sakamoto, Y; Suzuki, T; Schreiber, F

APPLIED PHYSICS LETTERS 102 ( 1 ) 2013年01月07日

ISSN: 0003-6951

DOI
Consistent scheme for computing standard hydrogen electrode and redox potentials

Matsui, T; Kitagawa, Y; Okumura, M; Shigeta, Y; Sakaki, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 34 ( 1 ) 21 - 26 2013年01月05日

ISSN: 0192-8651

DOI
Theoretical Study on the Regioselectivity of Baeyer-Villiger Reaction of α-Me-, -F-, -CF3-Cyclohexanones

Itoh, Y; Yamanaka, M; Mikami, K

JOURNAL OF ORGANIC CHEMISTRY 78 ( 1 ) 146 - 153 2013年01月04日

ISSN: 0022-3263

DOI
Ultraviolet photoelectron spectra of Lu atoms encapsulated C2v-C82 fullerenes

Miyazaki, T; Sumii, R; Umemoto, H; Okimoto, H; Sugai, T; Shinohara, H; Hino, S

CHEMICAL PHYSICS LETTERS 555 222 - 225 2013年01月03日

ISSN: 0009-2614

DOI
Ab initio-based approach to elemental nitridation process of α-Al2O3

Saito, Y; Akiyama, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 362 29 - 32 2013年01月01日

ISSN: 0022-0248

DOI
A simple approach to the polytypism in SiC

Ito, T; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 362 207 - 210 2013年01月01日

ISSN: 0022-0248

DOI
Ab initio-based approach to elemental growth process on the InAs wetting layer grown on GaAs substrate

Ito, T; Ogasawara, K; Sugitani, T; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 362 2 - 5 2013年01月01日

ISSN: 0022-0248

DOI
Junction Formation by Doping in H2Pc:C60 Co-Evaporated Films for Solar Cell Application

Kubo, M; Shinmura, Y; Ishiyama, N; Kaji, T; Hiramoto, M

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 581 ( 1 ) 13 - 17 2013年01月01日

ISSN: 1542-1406

DOI
High-Speed Y-Ba-Cu-O Direct Detection System for Monitoring Picosecond THz Pulses

Thoma, P; Scheuring, A; Wünsch, S; Il'in, K; Semenov, A; Hübers, HW; Judin, V; Müller, AS; Smale, N … 全著者表示

IEEE TRANSACTIONS ON TERAHERTZ SCIENCE AND TECHNOLOGY 3 ( 1 ) 81 - 86 2013年01月

ISSN: 2156-342X

DOI
Interplay between the Diradical Character and Third-Order Nonlinear Optical Properties in Fullerene Systems

Muhammad, S; Fukuda, K; Minami, T; Kishi, R; Shigeta, Y; Nakano, M

CHEMISTRY-A EUROPEAN JOURNAL 19 ( 5 ) 1677 - 1685 2013年01月

ISSN: 0947-6539

DOI
Mechanisms for Solvatochromic Shifts of Free-Base Porphine Studied with Polarizable Continuum Models and Explicit Solute-Solvent Interactions

Fukuda, R; Ehara, M

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9 ( 1 ) 470 - 480 2013年01月

ISSN: 1549-9618

DOI
More π Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory

Mizukami, W; Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9 ( 1 ) 401 - 407 2013年01月

ISSN: 1549-9618

DOI
Photoinduced electron-transfer reaction of α-bromomethyl-substituted benzocyclic β-keto esters with amines: selective reaction pathways depending on the nature of the amine radical cations

Hasegawa, E; Tosaka, E; Yoneoka, A; Tamura, Y; Takizawa, S; Tomura, M; Yamashita, Y

RESEARCH ON CHEMICAL INTERMEDIATES 39 ( 1 ) 247 - 267 2013年01月

ISSN: 0922-6168

DOI
Replica-Permutation Method with the Suwa-Todo Algorithm beyond the Replica-Exchange Method

Itoh, SG; Okumura, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 9 ( 1 ) 570 - 581 2013年01月

ISSN: 1549-9618

DOI
Site-specific ion desorption from condensed F3SiCD2CH2Si(CH3)3 induced by Si-2p core-level ionizations studied with photoelectron photoion coincidence (PEPICO) spectroscopy, Auger photoelectron coincidence spectroscopy (APECS) and Auger electron photoion coincidence (AEPICO) spectroscopy

Mase, K; Kobayashi, E; Nambu, A; Kakiuchi, T; Takahashi, O; Tabayashi, K; Ohshita, J; Hashimoto, S; … 全著者表示

SURFACE SCIENCE 607 174 - 180 2013年01月

ISSN: 0039-6028

DOI
Tuning of Barrier Parameters of n-Type Schottky Junctions in Photovoltaic Co-Deposited Films by Doping

Ishiyama, N; Yoshioka, T; Kaji, T; Hiramoto, M

APPLIED PHYSICS EXPRESS 6 ( 1 ) 2013年01月

ISSN: 1882-0778

DOI
A Squaraine-Linked Mesoporous Covalent Organic Framework

Nagai, A; Chen, X; Feng, X; Ding, XS; Guo, ZQ; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 52 ( 13 ) 3770 - 3774 2013年

ISSN: 1433-7851

DOI
A model theoretical study on ligand exchange reactions of CooA

Ishida, T; Aono, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 16 ) 6139 - 6148 2013年

ISSN: 1463-9076

DOI
A new type of organic-inorganic hybrid NLO-phore with large off-diagonal first hyperpolarizability tensors: a two-dimensional approach

Muhammad, S; Xu, HL; Su, ZM; Fukuda, K; Kishi, R; Shigeta, Y; Nakano, M

DALTON TRANSACTIONS 42 ( 42 ) 15053 - 15062 2013年

ISSN: 1477-9226

DOI
Arene-perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers

Itoh, T; Kondo, M; Kanaike, M; Masaoko, S

CRYSTENGCOMM 15 ( 31 ) 6122 - 6126 2013年

ISSN: 1466-8033

DOI
Aryl iodides as strong inhibitors in gold and gold-based bimetallic quasi-homogeneous catalysis

Dhital, RN; Kamonsatikul, C; Somsook, E; Sato, Y; Sakurai, H

CHEMICAL COMMUNICATIONS 49 ( 25 ) 2542 - 2544 2013年

ISSN: 1359-7345

DOI
Bimetallic gold-palladium alloy nanoclusters: an effective catalyst for Ullmann coupling of chloropyridines under ambient conditions

Dhital, RN; Kamonsatikul, C; Somsook, E; Sakurai, H

CATALYSIS SCIENCE & TECHNOLOGY 3 ( 11 ) 3030 - 3035 2013年

ISSN: 2044-4753

DOI
Bridging π-coordination of pyrrole and indole over a PdI-PdI bond

Murahashi, T; Kimura, S; Takase, K; Ogoshi, S; Yamamoto, K

CHEMICAL COMMUNICATIONS 49 ( 39 ) 4310 - 4312 2013年

ISSN: 1359-7345

DOI
Charge Dynamics in A Donor-Acceptor Covalent Organic Framework with Periodically Ordered Bicontinuous Heterojunctions

Jin, SB; Ding, XS; Feng, X; Supur, M; Furukawa, K; Takahashi, S; Addicoat, M; El-Khouly, ME; Nakamu … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 52 ( 7 ) 2017 - 2021 2013年

ISSN: 1433-7851

DOI
Circular dichroism nano-imaging of two-dimensional chiral metal nanostructures

Narushima, T; Okamoto, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 33 ) 13805 - 13809 2013年

ISSN: 1463-9076

DOI
Computational study on the interactions and orientation of monoclonal human immunoglobulin G on a polystyrene surface

Javkhlantugs, N; Bayar, H; Ganzorig, C; Ueda, K

INTERNATIONAL JOURNAL OF NANOMEDICINE 8 2487 - 2496 2013年

ISSN: 1178-2013

DOI
Conjugated microporous polymers: design, synthesis and application

Xu, YH; Jin, SB; Xu, H; Nagai, A; Jiang, DL

CHEMICAL SOCIETY REVIEWS 42 ( 20 ) 8012 - 8031 2013年

ISSN: 0306-0012

DOI
Core-shell conjugated microporous polymers: a new strategy for exploring color-tunable and -controllable light emissions

Xu, YH; Nagai, A; Jiang, DL

CHEMICAL COMMUNICATIONS 49 ( 16 ) 1591 - 1593 2013年

ISSN: 1359-7345

DOI
Dispersed Ru nanoclusters transformed from a grafted trinuclear Ru complex on SiO2 for selective alcohol oxidation

Muratsugu, S; Lim, MH; Itoh, T; Thumrongpatanaraks, W; Kondo, M; Masaoka, S; Hor, TSA; Tada, M

DALTON TRANSACTIONS 42 ( 35 ) 12611 - 12619 2013年

ISSN: 1477-9226

DOI
Effect of nuclear vibrations, temperature, co-adsorbed water, and dye orientation on light absorption, charge injection and recombination conditions in organic dyes on TiO2

Manzhos, S; Segawa, H; Yamashita, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 4 ) 1141 - 1147 2013年

ISSN: 1463-9076

DOI
Efficient simultaneous emission from RGB-emitting organoboron dyes incorporated into organic-inorganic hybrids and preparation of white light-emitting materials

Kajiwara, Y; Nagai, A; Tanaka, K; Chujo, Y

JOURNAL OF MATERIALS CHEMISTRY C 1 ( 29 ) 4437 - 4444 2013年

ISSN: 2050-7526

DOI
Electronic excited states and electronic spectra of biphenyl: a study using many-body wavefunction methods and density functional theories

Fukuda, R; Ehara, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 40 ) 17426 - 17434 2013年

ISSN: 1463-9076

DOI
Fluctuations and Relaxation Dynamics of Liquid Water Revealed by Linear and Nonlinear Spectroscopy

Yagasaki, T; Saito, S

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64 64 55 - 75 2013年

ISBN: 978-0-8243-1064-6

ISSN: 0066-426X

DOI
Ganglioside-embedding small bicelles for probing membrane-landing processes of intrinsically disordered proteins

Yamaguchi, T; Uno, T; Uekusa, Y; Yagi-Utsumi, M; Kato, K

CHEMICAL COMMUNICATIONS 49 ( 12 ) 1235 - 1237 2013年

ISSN: 1359-7345

DOI
Helix oscillation of polyacetylene esters detected by dynamic 1H NMR, IR, and UV-vis methods in solution

Yoshida, Y; Mawatari, Y; Motoshige, A; Motodshige, R; Hiraoki, T; Tabata, M

POLYMER CHEMISTRY 4 ( 10 ) 2982 - 2988 2013年

ISSN: 1759-9954

DOI
Highly efficient iron(0) nanoparticle-catalyzed hydrogenation in water in flow

Hudson, R; Hamasaka, G; Osako, T; Yamada, YMA; Li, CJ; Uozumi, Y; Moores, A

GREEN CHEMISTRY 15 ( 8 ) 2141 - 2148 2013年

ISSN: 1463-9262

DOI
Indeno[2,1-b]fluorene: A 20-π-Electron Hydrocarbon with Very Low-Energy Light Absorption

Shimizu, A; Kishi, R; Nakano, M; Shiomi, D; Sato, K; Takui, T; Hisaki, I; Miyata, M; Tobe, Y

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 52 ( 23 ) 6076 - 6079 2013年

ISSN: 1433-7851

DOI
Influence of the CH/π hydrogen bond on the enhancement of circular dichroism (CD) amplitude of 1,3-cyclohexadiene compounds

Takahashi, O; Kohno, Y; Ueda, K; Nishio, M

NEW JOURNAL OF CHEMISTRY 37 ( 3 ) 843 - 849 2013年

ISSN: 1144-0546

DOI
Influence of the CH/π hydrogen bond on the enhancement of circular dichroism (CD) amplitude of 5,7-diene steroids: ergosterol, lumisterol, pirocarciferol, isopirocarciferol and structurally related cyclohexadienes

Takahashi, O; Kohno, Y; Nishio, M

NEW JOURNAL OF CHEMISTRY 37 ( 7 ) 2082 - 2086 2013年

ISSN: 1144-0546

DOI
Large pore donor-acceptor covalent organic frameworks

Jin, SB; Furukawa, K; Addicoat, M; Chen, L; Takahashi, S; Irle, S; Nakamura, T; Jiang, DL

CHEMICAL SCIENCE 4 ( 12 ) 4505 - 4511 2013年

ISSN: 2041-6520

DOI
New ternary ligands consisting of an N4 bridging ligand and two terpyridines, and their Co(II) and Ni(II) dinuclear complexes. Structure, redox properties, and reaction with acid

Kon, H; Nagata, T

DALTON TRANSACTIONS 42 ( 16 ) 5697 - 5705 2013年

ISSN: 1477-9226

DOI
On the decarboxylation of 2-methyl-1-tetralone-2-carboxylic acid - oxidation of the enol intermediate by triplet oxygen

Riahi, A; Muzart, J; Abe, M; Hoffmann, N

NEW JOURNAL OF CHEMISTRY 37 ( 8 ) 2245 - 2249 2013年

ISSN: 1144-0546

DOI
Organometallic ionic liquids from alkyloctamethylferrocenium cations: thermal properties, crystal structures, and magnetic properties

Funasako, Y; Inagaki, T; Mochida, T; Sakurai, T; Ohta, H; Furukawa, K; Nakamura, T

DALTON TRANSACTIONS 42 ( 23 ) 8317 - 8327 2013年

ISSN: 1477-9226

DOI
Photophysics of cytosine tautomers: new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular dynamics simulations

Nakayama, A; Harabuchi, Y; Yamazaki, S; Taketsugu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 29 ) 12322 - 12339 2013年

ISSN: 1463-9076

DOI
Platinum complexes bearing a boron-based PBP pincer ligand: synthesis, structure, and application as a catalyst for hydrosilylation of 1-decene

Ogawa, H; Yamashita, M

DALTON TRANSACTIONS 42 ( 3 ) 625 - 629 2013年

ISSN: 1477-9226

DOI
Raman enhancement by plasmonic excitation of structurally-characterized metal clusters: Au8, Ag8, and Cu8

Yasuike, T; Nobusada, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 15 ) 5424 - 5429 2013年

ISSN: 1463-9076

DOI
Rate enhancement of hexose sugar oxidation on an ethynylpyridine-functionalized Pt/Al2O3 catalyst with induced chirality

Waki, M; Muratsugu, S; Tada, M

CHEMICAL COMMUNICATIONS 49 ( 66 ) 7283 - 7285 2013年

ISSN: 1359-7345

DOI
Review Pathway Analysis for Peptide-Mediated Electronic Coupling in the Super-Exchange Mechanism of ET and EET

Kawatsu, T

BIOPOLYMERS 100 ( 1 ) 100 - 113 2013年

ISSN: 0006-3525

DOI
Role of aromatic residues in amyloid fibril formation of human calcitonin by solid-state 13C NMR and molecular dynamics simulation

Itoh-Watanabe, H; Kamihira-Ishijima, M; Javkhlantugs, N; Inoue, R; Itoh, Y; Endo, H; Tuzi, S; Saitô … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 23 ) 8890 - 8901 2013年

ISSN: 1463-9076

DOI
Spatial distribution of enhanced optical fields in one-dimensional linear arrays of gold nanoparticles studied by scanning near-field optical microscopy

Shimada, T; Imura, K; Okamoto, H; Kitajima, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 12 ) 4265 - 4269 2013年

ISSN: 1463-9076

DOI
Star-shaped two-dimensional covalent organic frameworks

Feng, X; Dong, YP; Jiang, DL

CRYSTENGCOMM 15 ( 8 ) 1508 - 1511 2013年

ISSN: 1466-8033

DOI
Strong optical coupling between mutually orthogonal plasmon oscillations in a silver nanosphere-nanowire joined system

Kim, S; Imura, K; Lee, M; Narushima, T; Okamoto, H; Jeong, DH

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 12 ) 4146 - 4153 2013年

ISSN: 1463-9076

DOI
Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species

Xu, W; Hao, YJ; Uhlik, F; Shi, ZJ; Slanina, Z; Feng, L

NANOSCALE 5 ( 21 ) 10409 - 10413 2013年

ISSN: 2040-3364

DOI
Structural kinetics of a Pt/C cathode catalyst with practical catalyst loading in an MEA for PEFC operating conditions studied by in situ time-resolved XAFS

Ishiguro, N; Saida, T; Uruga, T; Sekizawa, O; Nagasawa, K; Nitta, K; Yamamoto, T; Ohkoshi, S; Yokoy … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 43 ) 18827 - 18834 2013年

ISSN: 1463-9076

DOI
Sumanenylferrocenes and their solid state self-assembly

Topolinski, B; Schmidt, BM; Higashibayashi, S; Sakurai, H; Lentz, D

DALTON TRANSACTIONS 42 ( 38 ) 13809 - 13812 2013年

ISSN: 1477-9226

DOI
Super absorbent conjugated microporous polymers: a synergistic structural effect on the exceptional uptake of amines

Liu, XM; Xu, YH; Guo, ZQ; Nagai, A; Jiang, DL

CHEMICAL COMMUNICATIONS 49 ( 31 ) 3233 - 3235 2013年

ISSN: 1359-7345

DOI
Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions

Kosaka, Y; Yamamoto, HM; Tajima, A; Nakao, A; Cui, HB; Kato, R

CRYSTENGCOMM 15 ( 16 ) 3200 - 3211 2013年

ISSN: 1466-8033

DOI
Synthesis and properties of all-benzene carbon nanocages: a junction unit of branched carbon nanotubes

Matsui, K; Segawa, Y; Namikawa, T; Kamada, K; Itami, K

CHEMICAL SCIENCE 4 ( 1 ) 84 - 88 2013年

ISSN: 2041-6520

DOI
Synthesis of stable CunAu25-n nanoclusters (n=1-9) using selenolate ligands

Kurashige, W; Munakata, K; Nobusada, K; Negishi, Y

CHEMICAL COMMUNICATIONS 49 ( 48 ) 5447 - 5449 2013年

ISSN: 1359-7345

DOI
Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate

Seike, A; Yamagami, K; Kakitani, Y; Kuwajima, M; Uoyama, H; Nagaoka, S; Nakae, T; Mori, S; Okujima, … 全著者表示

RSC ADVANCES 3 ( 9 ) 3006 - 3016 2013年

DOI
The Dos Family of Globin-Related Sensors Using PAS Domains to Accommodate Haem Acting as the Active Site for Sensing External Signals

Aono, S

ADVANCES IN MICROBIAL PHYSIOLOGY, VOL 63: MICROBIAL GLOBINS - STATUS AND OPPORTUNITIES 63 273 - 327 2013年

ISBN: 978-0-12-407693-8

ISSN: 0065-2911

DOI
The origin of the strong interfacial charge-transfer absorption in the surface complex between TiO2 and dicyanomethylene compounds

Jono, R; Fujisawa, J; Segawa, H; Yamashita, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 42 ) 18584 - 18588 2013年

ISSN: 1463-9076

DOI
Theoretical Analysis on De-Solvation of Lithium, Sodium, and Magnesium Cations to Organic Electrolyte Solvents

Okoshi, M; Yamada, Y; Yamada, A; Nakai, H

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 160 ( 11 ) A2160 - A2165 2013年

ISSN: 0013-4651

DOI
Theoretical Study on Stability of Lithium Ion Battery in Charging Process: Analysis Based on Partial Charge and Partial Energy

Yamauchi, Y; Nakai, H

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 160 ( 9 ) A1364 - A1368 2013年

ISSN: 0013-4651

DOI
Theoretical insight in to hydrogen-bonding networks and proton wire for the CaMn4O5 cluster of photosystem II. Elongation of Mn-Mn distances with hydrogen bonds

Shoji, M; Isobe, H; Yamanaka, S; Umena, Y; Kawakami, K; Kamiya, N; Shen, JR; Yamaguchi, K

CATALYSIS SCIENCE & TECHNOLOGY 3 ( 7 ) 1831 - 1848 2013年

ISSN: 2044-4753

DOI
Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reaction

Lyalin, A; Nakayama, A; Uosaki, K; Taketsugu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 8 ) 2809 - 2820 2013年

ISSN: 1463-9076

DOI
Theoretical studies of electronic structures, magnetic properties and electron conductivities of one-dimensional Nin (n=3, 5, 7) complexes

Kitagawa, Y; Matsui, T; Nakanishi, Y; Shigeta, Y; Kawakami, T; Okumura, M; Yamaguchi, K

DALTON TRANSACTIONS 42 ( 45 ) 16200 - 16208 2013年

ISSN: 1477-9226

DOI
Transformation of a design peptide between the α-helix and β-hairpin structures using a helix-strand replica-exchange molecular dynamics simulation

Okumura, H; Itoh, SG

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 33 ) 13852 - 13861 2013年

ISSN: 1463-9076

DOI
Trinuclear palladium addition to unsaturated carbocycles

Murahashi, T; Takase, K; Usui, K; Kimura, S; Fujimoto, M; Uemura, T; Ogoshi, S; Yamamoto, K

DALTON TRANSACTIONS 42 ( 29 ) 10626 - 10632 2013年

ISSN: 1477-9226

DOI
Unraveling the adsorption mechanism of aromatic and aliphatic diols on the TiO2 surface: a density functional theory analysis

Giorgi, G; Fujisawa, J; Segawa, H; Yamashita, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 24 ) 9761 - 9767 2013年

ISSN: 1463-9076

DOI
Vibronic coupling density analysis for the chain-length dependence of reorganization energies in oligofluorenes: a comparative study with oligothiophenes

Uejima, M; Sato, T; Tanaka, K; Kaji, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15 ( 33 ) 14006 - 14016 2013年

ISSN: 1463-9076

DOI
COMPUTATIONAL INVESTIGATION OF A PHOTO-SWITCHABLE SINGLE-MOLECULE MAGNET BASED ON A PORPHYRIN TERBIUM DOUBLE-DECKER COMPLEX

Inose, T; Tanaka, D; Ogawa, T

HETEROCYCLES 86 ( 2 ) 1549 - 1554 2012年12月31日

ISSN: 0385-5414

DOI
Bimetallic AuPd Nanocluster Catalysts with Controlled Atomic Gold Distribution for Oxidative Dehydrogenation of Tetralin

Murugadoss, A; Okumura, K; Sakurai, H

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 51 ) 26776 - 26783 2012年12月27日

ISSN: 1932-7447

DOI
Synthesis, Characterization, and Reactivity of Hypochloritoiron(III) Porphyrin Complexes

Cong, ZQ; Yanagisawa, S; Kurahashi, T; Ogura, T; Nakashima, S; Fujii, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 51 ) 20617 - 20620 2012年12月26日

ISSN: 0002-7863

DOI
ATR-FTIR Spectroscopy Revealing the Different Vibrational Modes of the Selectivity Filter Interacting with K+ and Na+ in the Open and Collapsed Conformations of the KcsA Potassium Channel

Furutani, Y; Shimizu, H; Asai, Y; Fukuda, T; Oiki, S; Kandori, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3 ( 24 ) 3806 - 3810 2012年12月20日

ISSN: 1948-7185

DOI
Low-Temperature Carbon-Chlorine Bond Activation by Bimetallic Gold/Palladium Alloy Nanoclusters: An Application to Ullmann Coupling

Dhital, RN; Karnonsatikul, C; Somsook, E; Bobuatong, K; Ehara, M; Karanjit, S; Sakurai, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 50 ) 20250 - 20253 2012年12月19日

ISSN: 0002-7863

DOI
Total Structure and Optical Properties of a Phosphine/Thiolate-Protected Au24 Nanocluster

Das, A; Li, T; Nobusada, K; Zeng, Q; Rosi, NL; Jin, RC

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 50 ) 20286 - 20289 2012年12月19日

ISSN: 0002-7863

DOI
Electron-impact ionization of N2 at large momentum transfer above the double-ionization threshold

Jones, DB; Yamazaki, M; Watanabe, N; Takahashi, M

PHYSICAL REVIEW A 86 ( 6 ) 2012年12月18日

ISSN: 2469-9926

DOI
Analysis of the phospholipase C-δ1 pleckstrin homology domain using native polyacrylamide gel electrophoresis

Tanio, M; Nishimura, K

ANALYTICAL BIOCHEMISTRY 431 ( 2 ) 106 - 114 2012年12月15日

ISSN: 0003-2697

DOI
Density functional studies of the structural variety of the Cu2S2 core of the CuA site

Takano, Y; Okuyama, O; Shigeta, Y; Nakamura, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 112 ( 24 ) 3756 - 3762 2012年12月15日

ISSN: 0020-7608

DOI
Spin hamiltonian models for artificial and native water splitting systems revealed by hybrid DFT calculations. Oxygen activation by high-valent Mn and Ru ions

Yamaguchi, K; Yamanaka, S; Isobe, H; Tanaka, K; Ueyama, N

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 112 ( 24 ) 3849 - 3866 2012年12月15日

ISSN: 0020-7608

DOI
Auger decay of molecular double core-hole and its satellite states: Comparison of experiment and calculation

Tashiro, M; Nakano, M; Ehara, M; Penent, F; Andric, L; Palaudoux, J; Ito, K; Hikosaka, Y; Kouchi, N … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 137 ( 22 ) 2012年12月14日

ISSN: 0021-9606

DOI
Experimental and theoretical studies on the electronic properties of vanadium-benzene sandwich cluster anions, VnBzn+1- (n=1-5)

Masubuchi, T; Ohi, K; Iwasa, T; Nakajima, A

JOURNAL OF CHEMICAL PHYSICS 137 ( 22 ) 2012年12月14日

ISSN: 0021-9606

DOI
D-D-π-A-Type Organic Dyes for Dye-Sensitized Solar Cells with a Potential for Direct Electron Injection and a High Extinction Coefficient: Synthesis, Characterization, and Theoretical Investigation

Namuangruk, S; Fukuda, R; Ehara, M; Meeprasert, J; Khanasa, T; Morada, S; Kaewin, T; Jungsuttiwong, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 49 ) 25653 - 25663 2012年12月13日

ISSN: 1932-7447

DOI
Optical Study of Archetypical Valence-Fluctuating Eu Systems

Guritanu, V; Seiro, S; Sichelschmidt, J; Caroca-Canales, N; Iizuka, T; Kimura, S; Geibel, C; Stegli … 全著者表示

PHYSICAL REVIEW LETTERS 109 ( 24 ) 2012年12月12日

ISSN: 0031-9007

DOI
Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical

Aramaki, Y; Orniya, H; Yamashita, M; Nakabayashi, K; Ohkoshi, S; Nozaki, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 49 ) 19989 - 19992 2012年12月12日

ISSN: 0002-7863

DOI
Pulse width measurement of laser Compton scattered gamma rays in picosecond range

Taira, Y; Adachi, M; Zen, H; Yamamoto, N; Hosaka, M; Soda, K; Katoh, M

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 695 233 - 237 2012年12月11日

ISSN: 0168-9002

DOI
EXACT WAVEFUNCTION OF THE ONE-DIMENSIONAL DOUBLE-EXCHANGE MODEL WITH ONE ELECTRON

Nakano, K; Eder, R; Ohta, Y

INTERNATIONAL JOURNAL OF MODERN PHYSICS B 26 ( 30 ) 2012年12月10日

ISSN: 0217-9792

DOI
Correlation between p-type conductivity and electronic structure of Cr-deficient CuCr1-xO2 (x = 0-0.1)

Singh, SB; Yang, LT; Wang, YF; Shao, YC; Chiang, CW; Chiou, JW; Lin, KT; Chen, SC; Wang, BY; Chuang … 全著者表示

PHYSICAL REVIEW B 86 ( 24 ) 2012年12月07日

ISSN: 2469-9950

DOI
Cristaxenicin A, an Antiprotozoal Xenicane Diterpenoid from the Deep Sea Gorgonian Acanthoprimnoa cristata

Ishigami, ST; Goto, Y; Inoue, N; Kawazu, SI; Matsumoto, Y; Imahara, Y; Tarumi, M; Nakai, H; Fusetan … 全著者表示

JOURNAL OF ORGANIC CHEMISTRY 77 ( 23 ) 10962 - 10966 2012年12月07日

ISSN: 0022-3263

DOI
Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation

Takemura, K; Guo, H; Sakuraba, S; Matubayasi, N; Kitao, A

JOURNAL OF CHEMICAL PHYSICS 137 ( 21 ) 2012年12月07日

ISSN: 0021-9606

DOI
Ionization-Induced Solvent Migration in Acetanilide-Methanol Clusters Inferred from Isomer-Selective Infrared Spectroscopy

Weiler, M; Nakamura, T; Sekiya, H; Dopfer, O; Miyazaki, M; Fujii, M

CHEMPHYSCHEM 13 ( 17 ) 3875 - 3881 2012年12月07日

ISSN: 1439-4235

DOI
Structures of mixed argon-nitrogen clusters

Nagasaka, M; Serdaroglu, E; Flesch, R; Rühl, E; Kosugi, N

JOURNAL OF CHEMICAL PHYSICS 137 ( 21 ) 2012年12月07日

ISSN: 0021-9606

DOI
Elucidating Electronic Transitions from σ Orbitals of Liquid n- and Branched Alkanes by Far-Ultraviolet Spectroscopy and Quantum Chemical Calculations

Morisawa, Y; Tachibana, S; Ehara, M; Ozaki, Y

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 48 ) 11957 - 11964 2012年12月06日

ISSN: 1089-5639

DOI
Redox Reaction Mechanisms with Non-triiodide Mediators in Dye-Sensitized Solar Cells by Redox Potential Calculations

Jono, R; Sumita, M; Tateyama, Y; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3 ( 23 ) 3581 - 3584 2012年12月06日

ISSN: 1948-7185

DOI
Dipole Moments of Amino Acid Residues, Gly and Ala, in α-Helix: Quantum Chemical Building Blocks for Macrodipole Moment of α-Helical Polypeptide

Mieda, S; Aida, M

CHEMISTRY LETTERS 41 ( 12 ) 1579 - 1580 2012年12月05日

ISSN: 0366-7022

DOI
Simultaneous Control of Carriers and Localized Spins with Light in Organic Materials

Naito, T; Karasudani, T; Ohara, K; Takano, T; Takahashi, Y; Inabe, T; Furukawa, K; Nakamura, T

ADVANCED MATERIALS 24 ( 46 ) 6153 - 6157 2012年12月04日

ISSN: 0935-9648

DOI
Tandem photovoltaic cells formed in single fullerene films by impurity doping

Ishiyama, N; Kubo, M; Kaji, T; Hiramoto, M

APPLIED PHYSICS LETTERS 101 ( 23 ) 2012年12月03日

ISSN: 0003-6951

DOI
As-rich (2x2) surface reconstruction on GaAs(111)A

Ohtake, A; Ito, TAT

SURFACE SCIENCE 606 ( 23-24 ) 1864 - 1870 2012年12月

ISSN: 0039-6028

DOI
Crystal Growth, Structure, and Magnetic Properties of a Two-dimensional Triangular Lattice Magnet, Cu2(OH)3HCO2

Fujita, W; Kikuchi, K; Mori, W

CHEMISTRY-AN ASIAN JOURNAL 7 ( 12 ) 2830 - 2835 2012年12月

ISSN: 1861-4728

DOI
Electronic structures at organic heterojunctions of N,N′-bis(1-naphthyl)-N, N′-diphenyl-1,1′-biphenyl-4,4′-diamin (NPB)-based organic light emitting diodes

Nakayama, Y; Machida, S; Miyazaki, Y; Nishi, T; Noguchi, Y; Ishii, H

ORGANIC ELECTRONICS 13 ( 12 ) 2850 - 2855 2012年12月

ISSN: 1566-1199

DOI
Hybridized electronic states in potassium-doped picene probed by soft x-ray spectroscopies

Yamane, H; Kosugi, N

AIP ADVANCES 2 ( 4 ) 2012年12月

ISSN: 2158-3226

DOI
Neutron generation via the mechanism adsorption of pressurized deuterium on an electron deficient titanium matrix. An MD-DFT combined analysis on the mechanism of the Ti-D bond formation

Giorgi, G; Belanzoni, P; Asami, T; Yamashita, K

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 37 ( 24 ) 18959 - 18971 2012年12月

ISSN: 0360-3199

DOI
Predicted stabilities of endohedral metallo-fullerenes La@C76

Uhlík, F; Slanina, Z; Akasaka, T; Nagase, S

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 249 ( 12 ) 2585 - 2587 2012年12月

ISSN: 0370-1972

DOI
Vibrational Frequency Fluctuation of Ions in Aqueous Solutions Studied by Three-Pulse Infrared Photon Echo Method

Ohta, K; Tayama, J; Saito, S; Tominaga, K

ACCOUNTS OF CHEMICAL RESEARCH 45 ( 11 ) 1982 - 1991 2012年12月

ISSN: 0001-4842

DOI
Atomic and Electronic Structure of Ultrathin Bi(111) Films Grown on Bi2Te3(111) Substrates: Evidence for a Strain-Induced Topological Phase Transition

Hirahara, T; Fukui, N; Shirasawa, T; Yamada, M; Aitani, M; Miyazaki, H; Matsunami, M; Kimura, S; Ta … 全著者表示

PHYSICAL REVIEW LETTERS 109 ( 22 ) 2012年11月30日

ISSN: 0031-9007

DOI
Electronic Excited State Paths of Stone-Wales Rearrangement in Pyrene: Roles of Conical Intersections

Yamazaki, K; Niitsu, N; Nakamura, K; Kanno, M; Kono, H

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 46 ) 11441 - 11450 2012年11月22日

ISSN: 1089-5639

DOI
An Osmium(III)/Osmium(V) Redox Couple Generating OsV(O)(OH) Center for cis-1,2-Dihydroxylation of Alkenes with H2O2: Os Complex with a Nitrogen-Based Tetradentate Ligand

Sugimoto, H; Kitayama, K; Mori, S; Itoh, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 46 ) 19270 - 19280 2012年11月21日

ISSN: 0002-7863

DOI
Density effect on infrared spectrum for supercritical water in the low- and medium-density region studied by molecular dynamics simulation

Yoshida, K; Matubayasi, N; Uosaki, Y; Nakahara, M

JOURNAL OF CHEMICAL PHYSICS 137 ( 19 ) 2012年11月21日

ISSN: 0021-9606

DOI
Generalized bond order parameters to characterize transient crystals

Isobe, M; Alder, BJ

JOURNAL OF CHEMICAL PHYSICS 137 ( 19 ) 2012年11月21日

ISSN: 0021-9606

DOI
Theoretical Study on the Intermolecular Interactions of Black Dye Dimers and Black Dye-Deoxycholic Acid Complexes in Dye-Sensitized Solar Cells

Kusama, H; Sayama, K

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 45 ) 23906 - 23914 2012年11月15日

ISSN: 1932-7447

DOI
Trifurcation of the reaction pathway

Harabuchi, Y; Nakayama, A; Taketsugu, T

COMPUTATIONAL AND THEORETICAL CHEMISTRY 1000 70 - 74 2012年11月15日

ISSN: 2210-271X

DOI
Optical absorption and fluorescence of PRODAN in solution: Quantum chemical study based on the symmetry-adapted cluster-configuration interaction method

Fukuda, R; Chidthong, R; Cammi, R; Ehara, M

CHEMICAL PHYSICS LETTERS 552 53 - 57 2012年11月12日

ISSN: 0009-2614

DOI
Vibrational scattering anisotropy in O2-dynamics beyond the Born-Oppenheimer approximation

Lindblad, A; Kimberg, V; Söderström, J; Nicolas, C; Travnikova, O; Kosugi, N; Gel'mukhanov, F; Miro … 全著者表示

NEW JOURNAL OF PHYSICS 14 2012年11月12日

ISSN: 1367-2630

DOI
Analytical Gradients for Density Functional Calculations with Approximate Spin Projection

Saito, T; Thiel, W

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 44 ) 10864 - 10869 2012年11月08日

ISSN: 1089-5639

DOI
Sequentially Coupled Hole-Electron Transfer Pathways for Bridge-Mediated Triplet Excitation Energy Transfer

Kawatsu, T; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 44 ) 23252 - 23256 2012年11月08日

ISSN: 1932-7447

DOI
Aerobic oxygenation of phenylboronic acid promoted by thiol derivatives under gold-free conditions: a warning against gold nanoparticle catalysis

Kaewmati, P; Somsook, E; Dhital, RN; Sakurai, H

TETRAHEDRON LETTERS 53 ( 45 ) 6104 - 6106 2012年11月07日

ISSN: 0040-4039

DOI
Extracting joint weak values from two-dimensional spatial displacements

Kobayashi, H; Puentes, G; Shikano, Y

PHYSICAL REVIEW A 86 ( 5 ) 2012年11月05日

ISSN: 1050-2947

DOI
Scintillation property of rare earth-free SnO-doped oxide glass

Masai, H; Yanagida, T; Fujimoto, Y; Koshimizu, M; Yoko, T

APPLIED PHYSICS LETTERS 101 ( 19 ) 2012年11月05日

ISSN: 0003-6951

DOI
Chemical Reactivity in Nucleophilic Cycloaddition to C70: Vibronic Coupling Density and Vibronic Coupling Constants as Reactivity Indices

Haruta, N; Sato, T; Tanaka, K

JOURNAL OF ORGANIC CHEMISTRY 77 ( 21 ) 9702 - 9706 2012年11月02日

ISSN: 0022-3263

DOI
Co-L3 X-ray absorption near-edge structure analysis of Pr1-xCaxCoO3-δ and Pr1-xSrxCoO3-δ

Yoshioka, T; Yamamoto, T; Kitada, A

PHYSICA B-CONDENSED MATTER 407 ( 21 ) 4114 - 4116 2012年11月01日

ISSN: 0921-4526

DOI
Theoretical Study on Water-Mediated Excited-State Multiple Proton Transfer in 7-Azaindole: Significance of Hydrogen Bond Rearrangement

Yu, XF; Yamazaki, S; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 43 ) 10566 - 10573 2012年11月01日

ISSN: 1089-5639

DOI
A Configuration Interaction Picture for a Molecular Environment Using Localized Molecular Orbitals: The Excited States of Retinal Proteins

Hasegawa, J; Fujimoto, KJ; Kawatsu, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8 ( 11 ) 4452 - 4461 2012年11月

ISSN: 1549-9618

DOI
Electron trapping at the lattice Ti atoms adjacent to the Nb dopant in Nb-doped rutile TiO2

Kamisaka, H; Mizuguchi, N; Yamashita, K

JOURNAL OF MATERIALS SCIENCE 47 ( 21 ) 7522 - 7529 2012年11月

ISSN: 0022-2461

DOI
Electronic Structure and Auger-Free Luminescence in Cs2ZnCl4 Crystals

Ohnishi, A; Kitaura, M; Itoh, M; Sasaki, M

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 ( 11 ) 2012年11月

ISSN: 0031-9015

DOI
Generalized Moller-Plesset Multiconfiguration Perturbation Theory Applied to an Open-Shell Antisymmetric Product of Strongly Orthogonal Geminals Reference Wave Function

Tarumi, M; Kobayashi, M; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8 ( 11 ) 4330 - 4335 2012年11月

ISSN: 1549-9618

DOI
Perovskite NaCeTi2O6-Supported Ni Catalysts for CH4 Steam Reforming

Zhang, SH; Muratsugu, S; Ishiguro, N; Ohkoshi, S; Tada, M

CHEMCATCHEM 4 ( 11 ) 1783 - 1790 2012年11月

ISSN: 1867-3880

DOI
Probing a Non-biaxial Behavior of Infinitely Thin Hard Platelets

Nomura, H; Koda, T; Okumura, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 ( 11 ) 2012年11月

ISSN: 0031-9015

DOI
The counterfactual process in weak values

Shikano, Y

PHYSICA SCRIPTA T151 2012年11月

ISSN: 0031-8949

DOI
The discrete-time quantum walk as a stochastic process in quantum mechanics

Shikano, Y; Horikawa, J; Wada, T

PHYSICA SCRIPTA T151 2012年11月

ISSN: 0031-8949

DOI
Efficient synthesis of 2,6,9-triazabicyclo[3.3.1]nonanes through amine-mediated formal [4+4] reaction of unsaturated imines

Tanaka, K; Siwu, ERO; Hirosaki, S; Iwata, T; Matsumoto, R; Kitagawa, Y; Pradipta, AR; Okumura, M; F … 全著者表示

TETRAHEDRON LETTERS 53 ( 44 ) 5899 - 5902 2012年10月31日

ISSN: 0040-4039

DOI
Giant magnetic anisotropy energy and coercivity in Fe island and atomic wire on W(110)

Nakagawa, T; Takagi, Y; Yokoyama, T; Methfessel, T; Diehl, S; Elmers, HJ

PHYSICAL REVIEW B 86 ( 14 ) 2012年10月25日

ISSN: 1098-0121

DOI
DFT Study of Internal Alkyne-to-Disubstituted Vinylidene Isomerization in [CpRu(PhC≡CAr)(dppe)]+

Otsuka, M; Tsuchida, N; Ikeda, Y; Kimura, Y; Mutoh, Y; Ishii, Y; Takano, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 42 ) 17746 - 17756 2012年10月24日

ISSN: 0002-7863

DOI
Enhanced Raman spectrum of pyrazine with the aid of resonant electron dynamics in a nearby cluster

Noda, M; Yasuike, T; Nobusada, K; Hayashi, M

CHEMICAL PHYSICS LETTERS 550 52 - 57 2012年10月22日

ISSN: 0009-2614

DOI
Phase-stable sub-cycle mid-infrared conical emission from filamentation in gases

Nomura, Y; Shirai, H; Ishii, K; Tsurumachi, N; Voronin, AA; Zheltikov, AM; Fuji, T

OPTICS EXPRESS 20 ( 22 ) 24741 - 24747 2012年10月22日

ISSN: 1094-4087

DOI
Interatomic relaxation effects in double core ionization of chain molecules

Kryzhevoi, NV; Tashiro, M; Ehara, M; Cederbaum, LS

JOURNAL OF CHEMICAL PHYSICS 137 ( 15 ) 2012年10月21日

ISSN: 0021-9606

DOI
Activation of Electrophilicity of Stable Y-Delocalized Carbamate Cations in Intramolecular Aromatic Substitution Reaction: Evidence for Formation of Diprotonated Carbamates Leading to Generation of Isocyanates

Kurouchi, H; Kawamoto, K; Sugimoto, H; Nakamura, S; Otani, Y; Ohwada, T

JOURNAL OF ORGANIC CHEMISTRY 77 ( 20 ) 9313 - 9328 2012年10月19日

ISSN: 0022-3263

DOI
Dynamics of Dangling Bonds of Water Molecules in pharaonis Halorhodopsin during Chloride Ion Transportation

Furutani, Y; Fujiwara, K; Kimura, T; Kikukawa, T; Demura, M; Kandori, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3 ( 20 ) 2964 - 2969 2012年10月18日

ISSN: 1948-7185

DOI
Structure and Orientation of Bovine Lactoferrampin in the Mimetic Bacterial Membrane as Revealed by Solid-State NMR and Molecular Dynamics Simulation

Tsutsumi, A; Javkhlantugs, N; Kira, A; Umeyama, M; Kawamura, I; Nishimura, K; Ueda, K; Naito, A

BIOPHYSICAL JOURNAL 103 ( 8 ) 1735 - 1743 2012年10月17日

ISSN: 0006-3495

DOI
Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction

Seino, J; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 137 ( 14 ) 2012年10月14日

ISSN: 0021-9606

DOI
Development of Solar Cells Based on Synthetic Near-Infrared Absorbing Purpurins 2: Use of Fullerene and Its Derivative As Electron Acceptors for Favorable Charge Separation

Wang, YW; Wang, XF; Zhang, JP; Hong, Z; Kido, J; Kitao, O; Ikeuchi, T; Tamiaki, H; Sasaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 40 ) 21244 - 21254 2012年10月11日

ISSN: 1932-7447

DOI
Mechanoanions Produced by Mechanical Fracture of Bacterial Cellulose: Ionic Nature of Glycosidic Linkage and Electrostatic Charging

Sakaguchi, M; Makino, M; Ohura, T; Iwata, T

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 40 ) 9872 - 9877 2012年10月11日

ISSN: 1089-5639

DOI
Demonstration of up-conversion fluorescence from Ar clusters in intense free-electron-laser fields

Iwayama, H; Nagasono, M; Harries, JR; Shigemasa, E

OPTICS EXPRESS 20 ( 21 ) 23174 - 23179 2012年10月08日

ISSN: 1094-4087

DOI
Electronic excitations of C60 fullerene calculated using the ab initio cluster expansion method

Fukuda, R; Ehara, M

JOURNAL OF CHEMICAL PHYSICS 137 ( 13 ) 2012年10月07日

ISSN: 0021-9606

DOI
Addition-versus-Oxygenative Cleavage: Two Contradictory Reactivities in the Reaction of N-Benzyl-4-pentenylamine Catalyzed by Colloidal Nanogold under Aerobic Conditions

Kitahara, H; Sakurai, H

CHEMISTRY LETTERS 41 ( 10 ) 1328 - 1330 2012年10月05日

ISSN: 0366-7022

DOI
Electron transport through single endohedral Ce@C82 metallofullerenes

Kaneko, S; Wang, L; Luo, GF; Lu, J; Nagase, S; Sato, S; Yamada, M; Slanina, Z; Akasaka, T; Kiguchi, … 全著者表示

PHYSICAL REVIEW B 86 ( 15 ) 2012年10月05日

ISSN: 2469-9950

DOI
Synthesis and electronic structure of highly electron-accepting radiaannulene and its reduced species

Hasegawa, M; Takatsuka, Y; Kuwatani, Y; Mazaki, Y

TETRAHEDRON LETTERS 53 ( 40 ) 5385 - 5388 2012年10月03日

ISSN: 0040-4039

DOI
Direct alkoxysilylation of alkoxysilanes for the synthesis of explicit alkoxysiloxane oligomers

Wakabayashi, R; Tamai, M; Kawahara, K; Tachibana, H; Imamura, Y; Nakai, H; Kuroda, K

JOURNAL OF ORGANOMETALLIC CHEMISTRY 716 26 - 31 2012年10月01日

ISSN: 0022-328X

DOI
Auger-free luminescence due to interatomic p-d transition and self-trapped exciton luminescence in Rb2ZnCl4 crystals

Ohnishi, A; Saito, M; Kitaura, M; Itoh, M; Sasaki, M

JOURNAL OF LUMINESCENCE 132 ( 10 ) 2639 - 2642 2012年10月

ISSN: 0022-2313

DOI
Backbone and side chain 1H, 13C, and 15N assignments of the ubiquitin-like domain of human HOIL-1L, an essential component of linear ubiquitin chain assembly complex

Uekusa, Y; Mimura, S; Sasakawa, H; Kurimoto, E; Sakata, E; Olivier, S; Yagi, H; Tokunaga, F; Iwai, … 全著者表示

BIOMOLECULAR NMR ASSIGNMENTS 6 ( 2 ) 177 - 180 2012年10月

ISSN: 1874-2718

DOI
Development of 3D microwave imaging reflectometry in LHD (invited)

Nagayama, Y; Kuwahara, D; Yoshinaga, T; Hamada, Y; Kogi, Y; Mase, A; Tsuchiya, H; Tsuji-Iio, S; Yam … 全著者表示

REVIEW OF SCIENTIFIC INSTRUMENTS 83 ( 10 ) 2012年10月

ISSN: 0034-6748

DOI
Dynamical properties of photogenerated polarons in one-dimensional dimerized Mott Insulators

Moriya, K; Maeshima, N; Hino, KI

EUROPEAN PHYSICAL JOURNAL B 85 ( 10 ) 2012年10月

ISSN: 1434-6028

DOI
Isotope-selective ionization utilizing molecular alignment and non-resonant multiphoton ionization

Akagi, H; Kasajima, T; Kumada, T; Itakura, R; Yokoyama, A; Hasegawa, H; Ohshima, Y

APPLIED PHYSICS B-LASERS AND OPTICS 109 ( 1 ) 75 - 80 2012年10月

ISSN: 0946-2171

DOI
Isotopic Substitution as a Strategy to Control Non-Adiabatic Dynamics in Photoelectrochemical Cells: Surface Complexes between TiO2 and Dicyanomethylene Compounds

Manzhos, S; Fujisawa, J; Segawa, H; Yamashita, K

JAPANESE JOURNAL OF APPLIED PHYSICS 51 ( 10 ) 2012年10月

ISSN: 0021-4922

DOI
Laser induced threshold photoemission magnetic circular dichroism and its application to photoelectron microscope

Nakagawa, T; Yokoyama, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 185 ( 10 ) 356 - 364 2012年10月

ISSN: 0368-2048

DOI
Optical Response of Polarons and Solitons in One-Dimensional Peierls-Hubbard Model

Maeshima, N; Moriya, K; Hino, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 ( 10 ) 2012年10月

ISSN: 0031-9015

DOI
Protein encapsulation within synthetic molecular hosts

Fujita, D; Suzuki, K; Sato, S; Yagi-Utsumi, M; Yamaguchi, Y; Mizuno, N; Kumasaka, T; Takata, M; Nod … 全著者表示

NATURE COMMUNICATIONS 3 2012年10月

ISSN: 2041-1723

DOI
Reversed Assembly of Dyes in an RNA Duplex Compared with Those in DNA

Fujii, T; Urushihara, M; Kashida, H; Ito, H; Liang, XG; Yagi-Utsumi, M; Kato, K; Asanuma, H

CHEMISTRY-A EUROPEAN JOURNAL 18 ( 42 ) 13304 - 13313 2012年10月

ISSN: 0947-6539

DOI
Structure prediction and aromaticity of acenes and phenylenes series. A combination method between asymmetric Kekule structures

Sakai, S; Kita, Y

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 25 ( 10 ) 840 - 849 2012年10月

ISSN: 0894-3230

DOI
Temperature and pressure denaturation of chignolin: Folding and unfolding simulation by multibaric-multithermal molecular dynamics method

Okumura, H

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 80 ( 10 ) 2397 - 2416 2012年10月

ISSN: 0887-3585

DOI
The orbital characters of low-energy electronic structure in iron-chalcogenide superconductor KxFe2-ySe2

Chen, F; Ge, QQ; Xu, M; Zhang, Y; Shen, XP; Li, W; Matsunami, M; Kimura, S; Hu, JP; Feng, DL

CHINESE SCIENCE BULLETIN 57 ( 30 ) 3829 - 3835 2012年10月

ISSN: 1001-6538

DOI
Tuning the Solid-State Optical Properties of Tetracene Derivatives by Modification of the Alkyl Side-Chains: Crystallochromy and the Highest Fluorescence Quantum Yield in Acenes Larger than Anthracene

Kitamura, C

CHEMICAL RECORD 12 ( 5 ) 506 - 514 2012年10月

ISSN: 1527-8999

DOI
Structural, photophysical, and mesomorphic properties of luminescent platinum(II)-salen Schiff base complexes

Abe, Y; Takagi, Y; Nakamura, M; Takeuchi, T; Tanase, T; Yokokawa, M; Mukai, H; Megumi, T; Hachisuga … 全著者表示

INORGANICA CHIMICA ACTA 392 254 - 260 2012年09月30日

ISSN: 0020-1693

DOI
Extension of local response dispersion method to excited-state calculation based on time-dependent density functional theory

Ikabata, Y; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 137 ( 12 ) 2012年09月28日

ISSN: 0021-9606

DOI
NMR and Mutational Identification of the Collagen-Binding Site of the Chaperone Hsp47

Yagi-Utsumi, M; Yoshikawa, S; Yamaguchi, Y; Nishi, Y; Kurimoto, E; Ishida, Y; Homma, T; Hoseki, J; … 全著者表示

PLOS ONE 7 ( 9 ) 2012年09月25日

ISSN: 1932-6203

DOI
Similarities of artificial photosystems by ruthenium oxo complexes and native water splitting systems

Tanaka, K; Isobe, H; Yamanaka, S; Yamaguchi, K

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 109 ( 39 ) 15600 - 15605 2012年09月25日

ISSN: 0027-8424

DOI
Vibrational effects on valence electron momentum distributions of ethylene

Watanabe, N; Yamazaki, M; Takahashi, M

JOURNAL OF CHEMICAL PHYSICS 137 ( 11 ) 2012年09月21日

ISSN: 0021-9606

DOI
Diradical Character Based Design for Singlet Fission of Condensed-Ring Systems with 4nπ Electrons

Ito, S; Minami, T; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 37 ) 19729 - 19736 2012年09月20日

ISSN: 1932-7447

DOI
Ligand-Induced Stability of Gold Nanoclusters: Thiolate versus Selenolate

Kurashige, W; Yamaguchi, M; Nobusada, K; Negishi, Y

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3 ( 18 ) 2649 - 2652 2012年09月20日

ISSN: 1948-7185

DOI
The Chemical Bond in Carbonyl and Sulfinyl Groups Studied by Soft X-ray Spectroscopy and ab Initio Calculations

Atak, K; Engel, N; Lange, KM; Golnak, R; Gotz, M; Soldatov, M; Rubensson, JE; Kosugi, N; Aziz, EF

CHEMPHYSCHEM 13 ( 13 ) 3106 - 3111 2012年09月17日

ISSN: 1439-4235

DOI
Comparative Spectroscopic Studies of Iron(III) and Manganese(III) Salen Complexes Having a Weakly Coordinating Triflate Axial Ligand

Kurahashi, T; Fujii, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 85 ( 9 ) 940 - 947 2012年09月15日

ISSN: 0009-2673

DOI
Formation probability of Cr-Nd pair and energy transfer from Cr to Nd in Y3Al5O12 ceramics codoped with Nd and Cr

Yamaga, M; Oda, Y; Uno, H; Hasegawa, K; Ito, H; Mizuno, S

JOURNAL OF APPLIED PHYSICS 112 ( 6 ) 2012年09月15日

ISSN: 0021-8979

DOI
Intermediate-valence icosahedral Au-Al-Yb quasicrystal

Watanuki, T; Kashimoto, S; Kawana, D; Yamazaki, T; Machida, A; Tanaka, Y; Sato, TJ

PHYSICAL REVIEW B 86 ( 9 ) 2012年09月10日

ISSN: 2469-9950

DOI
Stretch Effects Induced by Molecular Strain on Weakening σ-Bonds: Molecular Design of Long-Lived Diradicals (Biradicals)

Abe, M; Furunaga, H; Ma, DX; Gagliardi, L; Bodwell, GJ

JOURNAL OF ORGANIC CHEMISTRY 77 ( 17 ) 7612 - 7619 2012年09月07日

ISSN: 0022-3263

DOI
pn-control and pn-homojunction formation of metal-free phthalocyanine by doping

Shinmura, Y; Kubo, M; Ishiyama, N; Kaji, T; Hiramoto, M

AIP ADVANCES 2 ( 3 ) 2012年09月

ISSN: 2158-3226

DOI
Extracting chemical information of free molecules from K-shell double core-hole spectroscopy

Ueda, K; Takahashi, O

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 185 ( 8-9 ) 301 - 311 2012年09月

ISSN: 0368-2048

DOI
Invertible Organic Photovoltaic Cells with Heavily Doped Organic/Metal Ohmic Contacts

Kubo, M; Shinmura, Y; Ishiyama, N; Kaji, T; Hiramoto, M

APPLIED PHYSICS EXPRESS 5 ( 9 ) 2012年09月

ISSN: 1882-0778

DOI
Modified Anderson Method for Accelerating 3D-RISM Calculations Using Graphics Processing Unit

Maruyama, Y; Hirata, F

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8 ( 9 ) 3015 - 3021 2012年09月

ISSN: 1549-9618

DOI
Molecular and structural basis for N-glycan-dependent determination of glycoprotein fates in cells

Kamiya, Y; Satoh, T; Kato, K

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1820 ( 9 ) 1327 - 1337 2012年09月

ISSN: 0304-4165

DOI
Novel Pauli-paramagnetic quantum phase in a Mott insulator

Watanabe, D; Yamashita, M; Tonegawa, S; Oshima, Y; Yamamoto, HM; Kato, R; Sheikin, I; Behnia, K; Te … 全著者表示

NATURE COMMUNICATIONS 3 2012年09月

ISSN: 2041-1723

DOI
Quasiparticles and Fermi liquid behaviour in an organic metal

Kiss, T; Chainani, A; Yamamoto, HM; Miyazaki, T; Akimoto, T; Shimojima, T; Ishizaka, K; Watanabe, S … 全著者表示

NATURE COMMUNICATIONS 3 2012年09月

ISSN: 2041-1723

DOI
Simultaneous generation of ultrashort pulses at 158 and 198 nm in a single filamentation cell by cascaded four-wave mixing in Ar

Zuo, P; Fuji, T; Horio, T; Adachi, S; Suzuki, T

APPLIED PHYSICS B-LASERS AND OPTICS 108 ( 4 ) 815 - 819 2012年09月

ISSN: 0946-2171

DOI
Structural Basis for the Transcriptional Regulation of Heme Homeostasis in Lactococcus lactis

Sawai, H; Yamanaka, M; Sugimoto, H; Shiro, Y; Aono, S

JOURNAL OF BIOLOGICAL CHEMISTRY 287 ( 36 ) 30755 - 30768 2012年08月31日

ISSN: 0021-9258

DOI
The Nature of Radiative Transitions in TiO2-Based Nanosheets

Palummo, M; Giorgi, G; Chiodo, L; Rubio, A; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 34 ) 18495 - 18503 2012年08月30日

ISSN: 1932-7447

DOI
Band alignment of a carbon nanotube/n-type 6H-SiC heterojunction formed by surface decomposition of SiC using photoelectron spectroscopy

Maruyama, T; Sakakibara, S; Naritsuka, S; Norimatsu, W; Kusunoki, M; Yamane, H; Kosugi, N

APPLIED PHYSICS LETTERS 101 ( 9 ) 2012年08月27日

ISSN: 0003-6951

DOI
Half-joule output optical-parametric oscillation by using 10-mm-thick periodically poled Mg-doped congruent LiNbO3

Ishizuki, H; Taira, T

OPTICS EXPRESS 20 ( 18 ) 20002 - 20010 2012年08月27日

ISSN: 1094-4087

DOI
Impact of Antidot Structure on the Multiradical Characters, Aromaticities, and Third-Order Nonlinear Optical Properties of Hexagonal Graphene Nanoflakes

Yoneda, K; Nakano, M; Inoue, Y; Inui, T; Fukuda, K; Shigeta, Y

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 33 ) 17787 - 17795 2012年08月23日

ISSN: 1932-7447

DOI
Effect of Copper Doping on Electronic Structure, Geometric Structure, and Stability of Thiolate-Protected Au25 Nanoclusters

Negishi, Y; Munakata, K; Ohgake, W; Nobusada, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3 ( 16 ) 2209 - 2214 2012年08月16日

ISSN: 1948-7185

DOI
Double Exchange Ferromagnetism in the Peierls Insulator State

Nishimoto, S; Ohta, Y

PHYSICAL REVIEW LETTERS 109 ( 7 ) 2012年08月13日

ISSN: 0031-9007

DOI
Microscopic quantum coherence in a photosynthetic-light-harvesting antenna

Dawlaty, JM; Ishizaki, A; De, AK; Fleming, GR

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES 370 ( 1972 ) 3672 - 3691 2012年08月13日

ISSN: 1364-503X

DOI
Comparative Study of C∧N and N∧C Type Cyclometalated Ruthenium Complexes with a NAD+/NADH Function

Padhi, SK; Fukuda, R; Ehara, M; Tanaka, K

INORGANIC CHEMISTRY 51 ( 15 ) 8091 - 8102 2012年08月06日

ISSN: 0020-1669

DOI
Momentum-dependent hybridization gap and dispersive in-gap state of the Kondo semiconductor SmB6

Miyazaki, H; Hajiri, T; Ito, T; Kunii, S; Kimura, S

PHYSICAL REVIEW B 86 ( 7 ) 2012年08月06日

ISSN: 2469-9950

DOI
Theoretical analysis of the solvatochromism of organic dyes differing by the conjugation sequence

Manzhos, S; Komatsu, M; Nakazaki, J; Segawa, H; Yamashita, K

JOURNAL OF PHOTONICS FOR ENERGY 2 2012年08月03日

ISSN: 1947-7988

DOI
Nitrogen-Functionalized Graphene Nanoflakes (GNFs:N): Tunable Photoluminescence and Electronic Structures

Chiou, JW; Ray, SC; Peng, SI; Chuang, CH; Wang, BY; Tsai, HM; Pao, CW; Lin, HJ; Shao, YC; Wang, YF; … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 30 ) 16251 - 16258 2012年08月02日

ISSN: 1932-7447

DOI
Notable Effects of Metal Salts on UV-Vis Absorption Spectra of α-, β-, γ-, and δ-Tocopheroxyl Radicals in Acetonitrile Solution. The Complex Formation between Tocopheroxyls and Metal Cations

Mukai, K; Kohno, Y; Ouchi, A; Nagaoka, S

JOURNAL OF PHYSICAL CHEMISTRY B 116 ( 30 ) 8930 - 8941 2012年08月02日

ISSN: 1520-6106

DOI
Positioning of the sensor cell on the sensing area using cell trapping pattern in incubation type planar patch clamp biosensor

Wang, ZH; Takada, N; Uno, H; Ishizuka, T; Yawo, H; Urisu, T

COLLOIDS AND SURFACES B-BIOINTERFACES 96 44 - 49 2012年08月01日

ISSN: 0927-7765

DOI
Determination of valence state of Mn ions in Pr1-xAxMnO3-δ (A = Ca, Sr) by Mn-L3 X-ray absorption near-edge structure analysis

Kanamori, H; Yoshioka, T; Hirose, K; Yamamoto, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 185 ( 5-7 ) 129 - 132 2012年08月

ISSN: 0368-2048

DOI
Sequential four-state folding/unfolding of goat α-lactalbumin and its N-terminal variants

Tomoyori, K; Nakamura, T; Makabe, K; Maki, K; Saeki, K; Kuwajima, K

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 80 ( 9 ) 2191 - 2206 2012年08月

ISSN: 0887-3585

DOI
Theoretical study of the excited-state double proton transfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer

Yu, XF; Yamazaki, S; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 33 ( 20 ) 1701 - 1708 2012年07月30日

ISSN: 0192-8651

DOI
Electrochromism of LixFePO4 Induced by Intervalence Charge Transfer Transition

Furutsuki, S; Chung, SC; Nishimura, S; Kudo, Y; Yamashita, K; Yamada, A

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 29 ) 15259 - 15264 2012年07月26日

ISSN: 1932-7447

DOI
Formation of (Alkenylphosphonio)phenylruthenium Complexes from Diphenylacetylene and a [CpRu(dppm)] Cation: Experimental Evidence for the Equilibrium between η1-Disubstituted Vinylidene and η2-Internal Alkyne

Mutoh, Y; Kimura, Y; Ikeda, Y; Tsuchida, N; Takano, K; Ishii, Y

ORGANOMETALLICS 31 ( 14 ) 5150 - 5158 2012年07月23日

ISSN: 0276-7333

DOI
Performance of the coupled cluster and DFT methods for through-space magnetic interactions of nitroxide dimer

Saito, T; Ito, A; Watanabe, T; Kawakami, T; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 542 19 - 25 2012年07月23日

ISSN: 0009-2614

DOI
Microwave-assisted synthesis of methyl (1S,2R,4S,5S)-7-aza-5-hydroxybicyclo[2.2.1]heptane-2-carboxylate through unexpected stereoselective substitution reaction

Onogi, S; Higashibayashi, S; Sakurai, H

TETRAHEDRON LETTERS 53 ( 29 ) 3710 - 3712 2012年07月18日

ISSN: 0040-4039

DOI
Lewis X-carrying N-Glycans Regulate the Proliferation of Mouse Embryonic Neural Stem Cells via the Notch Signaling Pathway

Yagi, H; Saito, T; Yanagisawa, M; Yu, RK; Kato, K

JOURNAL OF BIOLOGICAL CHEMISTRY 287 ( 29 ) 24356 - 24364 2012年07月13日

DOI
Coordination and Electronic Structure of Ruthenium(II)-tris-2,2′-bipyridine in the Triplet Metal-to-Ligand Charge-Transfer Excited State Observed by Picosecond Time-Resolved Ru K-Edge XAFS

Sato, T; Nozawa, S; Tomita, A; Hoshino, M; Koshihara, SY; Fujii, H; Adachi, S

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 27 ) 14232 - 14236 2012年07月12日

ISSN: 1932-7447

DOI
Nickel-Catalyzed Monosubstitution of Polyfluoroarenes with Organozinc Reagents Using Alkoxydiphosphine Ligand

Nakamura, Y; Yoshikai, N; Ilies, L; Nakamura, E

ORGANIC LETTERS 14 ( 13 ) 3316 - 3319 2012年07月06日

ISSN: 1523-7060

DOI
Selective Synthesis and Crystal Structure of [10]Cycloparaphenylene

Kayahara, E; Sakamoto, Y; Suzuki, T; Yamago, S

ORGANIC LETTERS 14 ( 13 ) 3284 - 3287 2012年07月06日

ISSN: 1523-7060

DOI
Geometric, Electronic, and Optical Properties of a Superatomic Heterodimer and Trimer: Sc@Si16-V@Si16 and Sc@Si16-Ti@Si16-V@Si16

Iwasa, T; Nakajima, A

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 26 ) 14071 - 14077 2012年07月05日

ISSN: 1932-7447

DOI
Placevent: An algorithm for prediction of explicit solvent atom distributionuApplication to HIV-1 protease and F-ATP synthase

Sindhikara, DJ; Yoshida, N; Hirata, F

JOURNAL OF COMPUTATIONAL CHEMISTRY 33 ( 18 ) 1536 - 1543 2012年07月05日

ISSN: 0192-8651

DOI
Singlet Excitation Energy Transfer Mediated by Local Exciton Bridges

Kawatsu, T; Matsuda, K; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 26 ) 13865 - 13876 2012年07月05日

ISSN: 1932-7447

DOI
Theoretical Studies of Solvation Effects on 2-(2-Hydroxyphenyl)benzimidazole

Kuroki, A; Ushiyama, H; Yamashita, K

CHEMISTRY LETTERS 41 ( 7 ) 672 - 673 2012年07月05日

ISSN: 0366-7022

DOI
Effect of the Axial Ligand on the Reactivity of the Oxoiron(IV) Porphyrin π-Cation Radical Complex: Higher Stabilization of the Product State Relative to the Reactant State

Takahashi, A; Yamaki, D; Ikemura, K; Kurahashi, T; Ogura, T; Hada, M; Fujii, H

INORGANIC CHEMISTRY 51 ( 13 ) 7296 - 7305 2012年07月02日

ISSN: 0020-1669

DOI
Channelrhodopsin as a Noble Biomaterial Useful for the Operation and Performance Test of the Ionchannel Devices

Uno, H; Wang, ZH; Takada, N; Ishizuka, T; Yawo, H; Urisu, T

MATERIALS TRANSACTIONS 53 ( 7 ) 1305 - 1309 2012年07月

ISSN: 1345-9678

DOI
Elucidating the Molecular Origin of Hydrolysis Energy of Pyrophosphate in Water

Hong, J; Yoshida, N; Chong, SH; Lee, C; Ham, S; Hirata, F

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8 ( 7 ) 2239 - 2246 2012年07月

ISSN: 1549-9618

DOI
Operando Time-Resolved X-ray Absorption Fine Structure Study for Surface Events on a Pt3Co/C Cathode Catalyst in a Polymer Electrolyte Fuel Cell during Voltage-Operating Processes

Ishiguro, N; Saida, T; Uruga, T; Nagamatsu, S; Sekizawa, O; Nitta, K; Yamamoto, T; Ohkoshi, S; Iwas … 全著者表示

ACS CATALYSIS 2 ( 7 ) 1319 - 1330 2012年07月

ISSN: 2155-5435

DOI
Selective Construction of Pd2Pt and PdPt2 Triangles in a Sandwich Framework: Carbocyclic Ligands as Scaffolds for a Mixed-Metal System

Murahashi, T; Usui, K; Tachibana, Y; Kimura, S; Ogoshi, S

CHEMISTRY-A EUROPEAN JOURNAL 18 ( 29 ) 8886 - 8890 2012年07月

ISSN: 0947-6539

DOI
Structural dynamics of proximal heme pocket in HemAT-Bs associated with oxygen dissociation

Yoshida, Y; Ishikawa, H; Aono, S; Mizutani, Y

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1824 ( 7 ) 866 - 872 2012年07月

ISSN: 1570-9639

DOI
Atomic stress tensor analysis of proteins

Ishikura, T; Hatano, T; Yamato, T

CHEMICAL PHYSICS LETTERS 539 144 - 150 2012年06月29日

ISSN: 0009-2614

DOI
Coordination and solvation of V+ with ammonia molecules: Infrared photodissociation spectroscopy of V+(NH3)n (n=4-8)

Koga, N; Ohashi, K; Furukawa, K; Imamura, T; Judai, K; Nishi, N; Sekiya, H

CHEMICAL PHYSICS LETTERS 539 1 - 6 2012年06月29日

ISSN: 0009-2614

DOI
Fluctuation-dissipation relations for motions of center of mass in driven granular fluids under gravity

Wakou, J; Isobe, M

PHYSICAL REVIEW E 85 ( 6 ) 2012年06月29日

ISSN: 1539-3755

DOI
Local unitary transformation method for large-scale two-component relativistic calculations: Case for a one-electron Dirac Hamiltonian

Seino, J; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 136 ( 24 ) 2012年06月28日

ISSN: 0021-9606

DOI
Structures of small mixed krypton-xenon clusters

Nagasaka, M; Kosugi, N; Rühl, E

JOURNAL OF CHEMICAL PHYSICS 136 ( 23 ) 2012年06月21日

ISSN: 0021-9606

DOI
Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers

Shibatomi, K; Soga, Y; Narayama, A; Fujisawa, I; Iwasa, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 24 ) 9836 - 9839 2012年06月20日

ISSN: 0002-7863

DOI
Ab initio-based study for adatom kinetics on AlN(0001) surfaces during metal-organic vapor-phase epitaxy growth

Akiyama, T; Nakamura, K; Ito, T

APPLIED PHYSICS LETTERS 100 ( 25 ) 2012年06月18日

ISSN: 0003-6951

DOI
An Ambipolar Conducting Covalent Organic Framework with Self-Sorted and Periodic Electron Donor-Acceptor Ordering

Feng, X; Chen, L; Honsho, Y; Saengsawang, O; Liu, LL; Wang, L; Saeki, A; Irle, S; Seki, S; Dong, YP … 全著者表示

ADVANCED MATERIALS 24 ( 22 ) 3026 - 3031 2012年06月12日

ISSN: 0935-9648

DOI
Free-energy calculation via mean-force dynamics using a logarithmic energy landscape

Morishita, T; Itoh, SG; Okumura, H; Mikami, M

PHYSICAL REVIEW E 85 ( 6 ) 2012年06月11日

ISSN: 1539-3755

DOI
Secondary structure of homo-thiopeptides based on a bridged β-proline analogue: preferred formation of extended strand structures with trans-thioamide bonds

Otani, Y; Hori, T; Kawahata, M; Yamaguchi, K; Ohwada, T

TETRAHEDRON 68 ( 23 ) 4418 - 4428 2012年06月10日

ISSN: 0040-4020

DOI
Site-specific Protein Dynamics in Communication Pathway from Sensor to Signaling Domain of Oxygen Sensor Protein, HemAT-Bs TIME-RESOLVED ULTRAVIOLET RESONANCE RAMAN STUDY

El-Mashtoly, SF; Kubo, M; Gu, YZ; Sawai, H; Nakashima, S; Ogura, T; Aono, S; Kitagawa, T

JOURNAL OF BIOLOGICAL CHEMISTRY 287 ( 24 ) 19973 - 19984 2012年06月08日

ISSN: 0021-9258

DOI
Enhancement of the Third-Order Nonlinear Optical Properties in Open-Shell Singlet Transition-Metal Dinuclear Systems: Effects of the Group, of the Period, and of the Charge of the Metal Atom

Fukui, H; Inoue, Y; Yamada, T; Ito, S; Shigeta, Y; Kishi, R; Champagne, B; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 22 ) 5501 - 5509 2012年06月07日

ISSN: 1089-5639

DOI
Evidence of a pseudogap for superconducting iron-pnictide Ba0.6+δ K0.4-δ Fe2As2 single crystals from optical conductivity measurements

Kwon, YS; Hong, JB; Jang, YR; Oh, HJ; Song, YY; Min, BH; Iizuka, T; Kimura, S; Balatsky, AV; Bang, Y

NEW JOURNAL OF PHYSICS 14 2012年06月07日

ISSN: 1367-2630

DOI
Water Model Tuning for Improved Reproduction of Rotational Diffusion and NMR Spectral Density

Takemura, K; Kitao, A

JOURNAL OF PHYSICAL CHEMISTRY B 116 ( 22 ) 6279 - 6287 2012年06月07日

ISSN: 1520-6106

DOI
Amphiphilic Self-Assembled Polymeric Copper Catalyst to Parts per Million Levels: Click Chemistry

Yamada, YMA; Sarkar, SM; Uozumi, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 22 ) 9285 - 9290 2012年06月06日

ISSN: 0002-7863

DOI
Anomalous Efficacy of Bimetallic Au/Pd Nanoclusters in C-Cl Bond Activation and Formal Metathesis-type C-B Bond Activation at Room Temperature

Dhital, RN; Sakurai, H

CHEMISTRY LETTERS 41 ( 6 ) 630 - 632 2012年06月05日

ISSN: 0366-7022

DOI
CAP/SAC-CI method for calculating resonance states of metastable anions

Ehara, M; Sommerfeld, T

CHEMICAL PHYSICS LETTERS 537 107 - 112 2012年06月01日

ISSN: 0009-2614

DOI
E-mv coupling of vibrational overtone in organic conductors: Relationship to optical nonlinearities and ferroelectricity

Yamamoto, K; Kowalska, AA; Yue, Y; Yakushi, K

PHYSICA B-CONDENSED MATTER 407 ( 11 ) 1775 - 1778 2012年06月01日

ISSN: 0921-4526

DOI
Enhancement of catalytic reactivity of zinc(II) complex by a cyclotriveratrylene-capped structure

Makita, Y; Ikeda, K; Sugimoto, K; Fujita, T; Danno, T; Bobuatong, K; Ehara, M; Fujiwara, S; Ogawa, A

JOURNAL OF ORGANOMETALLIC CHEMISTRY 706 26 - 29 2012年06月01日

ISSN: 0022-328X

DOI
A quantum chemical study on the thermal degradation reaction of polyesters

Shigemoto, I; Kawakami, T; Taiko, H; Okumura, M

POLYMER DEGRADATION AND STABILITY 97 ( 6 ) 941 - 947 2012年06月

ISSN: 0141-3910

DOI
Analysis of volatile metabolites emitted by soil-derived fungi using head space solid-phase microextraction/gas chromatography/mass spectrometry: I. Aspergillus fumigatus, Aspergillus nidulans, Fusarium solani and Penicillium paneum

Takeuchi, T; Kimura, T; Tanaka, H; Kaneko, S; Ichii, S; Kiuchi, M; Suzuki, T

SURFACE AND INTERFACE ANALYSIS 44 ( 6 ) 694 - 698 2012年06月

ISSN: 0142-2421

DOI
Application of Paramagnetic NMR-Validated Molecular Dynamics Simulation to the Analysis of a Conformational Ensemble of a Branched Oligosaccharide

Zhang, Y; Yamamoto, S; Yamaguchi, T; Kato, K

MOLECULES 17 ( 6 ) 6658 - 6671 2012年06月

ISSN: 1420-3049

DOI
Enantioselective synthesis of a chiral nitrogen-doped buckybowl

Tan, Q; Higashibayashi, S; Karanjit, S; Sakurai, H

NATURE COMMUNICATIONS 3 2012年06月

ISSN: 2041-1723

DOI
Parameterized Bases for Calculating Vibrational Spectra Directly from ab Initio Data Using Rectangular Collocation

Chan, M; Manzhos, S; Carrington, T; Yamashita, K

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8 ( 6 ) 2053 - 2061 2012年06月

ISSN: 1549-9618

DOI
Patterning of Spiral Structure on Optical Fiber by Focused-Ion-Beam Etching

Mekaru, H; Yano, T

JAPANESE JOURNAL OF APPLIED PHYSICS 51 ( 6 ) 2012年06月

ISSN: 0021-4922

DOI
Sub-20-fs Time-Resolved Measurements in an Apertured Near-Field Optical Microscope Combined with a Pulse-Shaping Technique

Wu, HJ; Nishiyama, Y; Narushima, T; Imura, K; Okamoto, H

APPLIED PHYSICS EXPRESS 5 ( 6 ) 2012年06月

ISSN: 1882-0778

DOI
Transport-Coefficient Dependence of Current-Induced Cooling Effect in a Two-Dimensional Electron Gas

Hirayama, N; Endo, A; Fujita, K; Hasegawa, Y; Hatano, N; Nakamura, H; Shirasaki, R; Yonemitsu, K

JOURNAL OF ELECTRONIC MATERIALS 41 ( 6 ) 1535 - 1539 2012年06月

ISSN: 0361-5235

DOI
Tuning the C-H•••π Interaction by Different Substitutions in Benzene-Acetylene Complexes

Mishra, BK; Karthikeyan, S; Ramanathan, V

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8 ( 6 ) 1935 - 1942 2012年06月

ISSN: 1549-9618

DOI
Universal Temperature Crossover Behavior of Electrical Conductance in a Single Oligothiophene Molecular Wire

Lee, SK; Yamada, R; Tanaka, S; Chang, GS; Asai, Y; Tada, H

ACS NANO 6 ( 6 ) 5078 - 5082 2012年06月

ISSN: 1936-0851

DOI
Electronic band structure calculations on thin films of the L21 full Heusler alloys X2YSi (X, Y = Mn, Fe, and Co): Toward spintronic materials

Mori, H; Odahara, Y; Shigyo, D; Yoshitake, T; Miyoshi, E

THIN SOLID FILMS 520 ( 15 ) 4979 - 4983 2012年05月31日

ISSN: 0040-6090

DOI
Conjugated Microporous Polymers as Molecular Sensing Devices: Microporous Architecture Enables Rapid Response and Enhances Sensitivity in Fluorescence-On and Fluorescence-Off Sensing

Liu, XM; Xu, YH; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 21 ) 8738 - 8741 2012年05月30日

ISSN: 0002-7863

DOI
Internal conversion in the S1 1B3u state of pyrene

Kowaka, Y; Nakayama, N; Ishimoto, T; Nagashima, U; Yamanaka, T; Ozawa, N; Baba, M

CHEMICAL PHYSICS 400 178 - 184 2012年05月25日

ISSN: 0301-0104

DOI
Two-pulse excitation for efficient formation of an sp3 nanodomain with frozen shear in a graphite crystal

Nishioka, K; Nasu, K; Yonemitsu, K

JOURNAL OF PHYSICS-CONDENSED MATTER 24 ( 20 ) 2012年05月23日

ISSN: 0953-8984

DOI
Intrinsic origin of negative fixed charge in wet oxidation for silicon carbide

Ebihara, Y; Chokawa, K; Kato, S; Kamiya, K; Shiraishi, K

APPLIED PHYSICS LETTERS 100 ( 21 ) 2012年05月21日

ISSN: 0003-6951

DOI
Structural Study on 2,2′-(Methylimino)bis(N,N-Dioctylacetamide) Complex with Re(VII)O4- and Tc(VII)O4- by 1H NMR, EXAFS, and IR Spectroscopy

Saeki, M; Sasaki, Y; Nakai, A; Ohashi, A; Banerjee, D; Scheinost, AC; Foerstendorf, H

INORGANIC CHEMISTRY 51 ( 10 ) 5814 - 5821 2012年05月21日

ISSN: 0020-1669

DOI
Experimental and Computational Study of Auxiliary Molecular Effects on the Mechanism of the Addition of Hydrazines to a Low-Valent Germanium Complex

Brown, ZD; Guo, JD; Nagase, S; Power, PP

ORGANOMETALLICS 31 ( 9 ) 3768 - 3772 2012年05月14日

ISSN: 0276-7333

DOI
Growth process and magnetic properties of iron nanoparticles deposited on Si3N4/Si(111)-(8 x 8)

Eguchi, K; Takagi, Y; Nakagawa, T; Yokoyama, T

PHYSICAL REVIEW B 85 ( 17 ) 2012年05月14日

ISSN: 2469-9950

DOI
Optimal probe wave function of weak-value amplification

Susa, Y; Shikano, Y; Hosoya, A

PHYSICAL REVIEW A 85 ( 5 ) 2012年05月11日

ISSN: 1050-2947

DOI
Effect of Coulomb interactions on the vibronic couplings in C60-

Iwahara, N; Sato, T; Tanaka, K

JOURNAL OF CHEMICAL PHYSICS 136 ( 17 ) 2012年05月07日

ISSN: 0021-9606

DOI
Photoisomerization and Proton-Coupled Electron Transfer (PCET) Promoted Water Oxidation by Mononuclear Cyclometalated Ruthenium Catalysts

Padhi, SK; Fukuda, R; Ehara, M; Tanaka, K

INORGANIC CHEMISTRY 51 ( 9 ) 5386 - 5392 2012年05月07日

ISSN: 0020-1669

DOI
Where Does the Metal Cation Stay in Gd@C2v(9)-C82? A Single-Crystal X-ray Diffraction Study

Suzuki, M; Lu, X; Sato, S; Nikawa, H; Mizorogi, N; Slanina, Z; Tsuchiya, T; Nagase, S; Akasaka, T

INORGANIC CHEMISTRY 51 ( 9 ) 5270 - 5273 2012年05月07日

ISSN: 0020-1669

DOI
Development of Calculation and Analysis Methods for the Dynamic First Hyperpolarizability Based on the Ab Initio Molecular Orbital - Quantum Master Equation Method

Kishi, R; Fujii, H; Kishimoto, S; Murata, Y; Ito, S; Okuno, K; Shigeta, Y; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 17 ) 4371 - 4380 2012年05月03日

ISSN: 1089-5639

DOI
Formation of GM1 Ganglioside Clusters on the Lipid Membrane Containing Sphingomyeline and Cholesterol

Mori, K; Mahmood, MI; Neya, S; Matsuzaki, K; Hoshino, T

JOURNAL OF PHYSICAL CHEMISTRY B 116 ( 17 ) 5111 - 5121 2012年05月03日

ISSN: 1520-6106

DOI
Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

Ehara, M; Piecuch, P; Lutz, JJ; Gour, JR

CHEMICAL PHYSICS 399 94 - 110 2012年05月03日

ISSN: 0301-0104

DOI
Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives

Okuno, K; Shigeta, Y; Kishi, R; Miyasaka, H; Nakano, M

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 235 29 - 34 2012年05月01日

ISSN: 1010-6030

DOI
A non-canonical UBA-UBL interaction forms the linear-ubiquitin-chain assembly complex

Yagi, H; Ishimoto, K; Hiromoto, T; Fujita, H; Mizushima, T; Uekusa, Y; Yagi-Utsumi, M; Kurimoto, E; … 全著者表示

EMBO REPORTS 13 ( 5 ) 462 - 468 2012年05月

ISSN: 1469-221X

DOI
An Extremely Bright Heteroleptic Bis(dipyrrinato)zinc(II) Complex

Kusaka, S; Sakamoto, R; Kitagawa, Y; Okumura, M; Nishihara, H

CHEMISTRY-AN ASIAN JOURNAL 7 ( 5 ) 907 - 910 2012年05月

ISSN: 1861-4728

DOI
Chromium Substitution Effect on the Magnetic Structure of Iron Oxides

Ozkendir, OM

CHINESE PHYSICS LETTERS 29 ( 5 ) 2012年05月

ISSN: 0256-307X

DOI
Entropy-Controlled 2D Supramolecular Structures of N,N′-Bis(n-alkyl)-naphthalenediimides on a HOPG Surface

Miyake, Y; Nagata, T; Tanaka, H; Yamazaki, M; Ohta, M; Kokawa, R; Ogawa, T

ACS NANO 6 ( 5 ) 3876 - 3887 2012年05月

ISSN: 1936-0851

DOI
New crystal structure of the proteasome-dedicated chaperone Rpn14 at 1.6 Å resolution

Kim, S; Nishide, A; Saeki, Y; Takagi, K; Tanaka, K; Kato, K; Mizushima, T

ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS 68 517 - 521 2012年05月

DOI
Palladium-Catalyzed Arylation of Methylene-Bridged Polyarenes: Synthesis and Structures of 9-Arylfluorene Derivatives

Chen, JJ; Onogi, S; Hsieh, YC; Hsiao, CC; Higashibayashi, S; Sakurai, H; Wu, YT

ADVANCED SYNTHESIS & CATALYSIS 354 ( 8 ) 1551 - 1558 2012年05月

ISSN: 1615-4150

DOI
Quantitative measurement of hard x-ray spectra for high intensity laser produced plasma

Zhang, Z; Nishimura, H; Namimoto, T; Fujioka, S; Arikawa, Y; Nishikino, M; Kawachi, T; Sagisaka, A; … 全著者表示

REVIEW OF SCIENTIFIC INSTRUMENTS 83 ( 5 ) 2012年05月

ISSN: 0034-6748

DOI
Rich variety in the ground states of [Pd(dmit)2]2 salts, and the methodology for analysing intra-dimer interactions, inter-dimer interactions and MO levels

Yamamoto, T; Nakazawa, Y; Tamura, M; Yakushi, K; Kato, R

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 249 ( 5 ) 971 - 974 2012年05月

ISSN: 0370-1972

DOI
Roles of molecular vibrations in photoinduced insulator-to-metal and neutral-to-ionic transitions

Yonemitsu, K

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 249 ( 5 ) 975 - 978 2012年05月

ISSN: 0370-1972

DOI
Synthesis of a new donor, MOET-TTP, and the crystal structure, electrical, and magnetic properties of (MOET-TTP)2MCl4 (M?=?Fe and Ga)

Shirahata, T; Ito, T; Toki, S; Misaki, Y

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 249 ( 5 ) 929 - 932 2012年05月

ISSN: 0370-1972

DOI
Theoretical study on the Cope rearrangement mechanisms and the homoaromaticity of semibullvalene, barbaralane, and 1,5-methanosemibullvalene

Ichikawa, Y; Sakai, S

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 25 ( 5 ) 409 - 419 2012年05月

ISSN: 0894-3230

DOI
Ligand migration in myoglobin: A combined study of computer simulation and x-ray crystallography

Tsuduki, T; Tomita, A; Koshihara, S; Adachi, S; Yamato, T

JOURNAL OF CHEMICAL PHYSICS 136 ( 16 ) 2012年04月28日

ISSN: 0021-9606

DOI
Nanosecond simulations of the dynamics of C60 excited by intense near-infrared laser pulses: Impulsive Raman excitation, rearrangement, and fragmentation

Niitsu, N; Kikuchi, M; Ikeda, H; Yamazaki, K; Kanno, M; Kono, H; Mitsuke, K; Toda, M; Nakai, K

JOURNAL OF CHEMICAL PHYSICS 136 ( 16 ) 2012年04月28日

ISSN: 0021-9606

DOI
Catalytic Activity of Au and Au2 on the h-BN Surface: Adsorption and Activation of O2

Gao, M; Lyalin, A; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 16 ) 9054 - 9062 2012年04月26日

ISSN: 1932-7447

DOI
Role of Perferryl-Oxo Oxidant in Alkane Hydroxylation Catalyzed by Cytochrome P450: A Hybrid Density Functional Study

Isobe, H; Yamaguchi, K; Okumura, M; Shimada, J

JOURNAL OF PHYSICAL CHEMISTRY B 116 ( 16 ) 4713 - 4730 2012年04月26日

ISSN: 1520-6106

DOI
Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π* and π-n+ Frontier Molecular Orbital Symmetry

Caputo, CA; Guo, JD; Nagase, S; Fettinger, JC; Power, PP

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 16 ) 7155 - 7164 2012年04月25日

ISSN: 0002-7863

DOI
Fibrillogenic propensity of the GroEL apical domain: A Janus-faced minichaperone

Chen, J; Yagi, H; Sormanni, P; Vendruscolo, M; Makabe, K; Nakamura, T; Goto, Y; Kuwajima, K

FEBS LETTERS 586 ( 8 ) 1120 - 1127 2012年04月24日

ISSN: 0014-5793

DOI
Interference Effects on (e, 2e) Electron Momentum Profiles of CF4

Watanabe, N; Chen, XJ; Takahashi, M

PHYSICAL REVIEW LETTERS 108 ( 17 ) 2012年04月24日

ISSN: 0031-9007

DOI
NMR characterization of the interaction between the PUB domain of peptide:N-glycanase and ubiquitin-like domain of HR23

Kamiya, Y; Uekusa, Y; Sumiyoshi, A; Sasakawa, H; Hirao, T; Suzuki, T; Kato, K

FEBS LETTERS 586 ( 8 ) 1141 - 1146 2012年04月24日

ISSN: 0014-5793

DOI
Development of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory: Incorporation of electron-electron correlation

Nishizawa, H; Imamura, Y; Ikabata, Y; Nakai, H

CHEMICAL PHYSICS LETTERS 533 100 - 105 2012年04月23日

ISSN: 0009-2614

DOI
Excitonic insulator state in the two-orbital Hubbard model: Variational cluster approach

Kaneko, T; Seki, K; Ohta, Y

PHYSICAL REVIEW B 85 ( 16 ) 2012年04月23日

ISSN: 2469-9950

DOI
Electronic, vibrational, and rotational structures in the S0 1A1 and S1 1A1 states of phenanthrene

Kowaka, Y; Yamanaka, T; Baba, M

JOURNAL OF CHEMICAL PHYSICS 136 ( 15 ) 2012年04月21日

ISSN: 0021-9606

DOI
Critical reinvestigation of vibronic couplings in picene from view of vibronic coupling density analysis

Sato, T; Iwahara, N; Tanaka, K

PHYSICAL REVIEW B 85 ( 16 ) 2012年04月17日

ISSN: 1098-0121

DOI
Differences in hydration between cis- and trans-platin: Quantum insights by ab initio fragment molecular orbital-based molecular dynamics (FMO-MD)

Mori, H; Hirayama, N; Komeiji, Y; Mochizuki, Y

COMPUTATIONAL AND THEORETICAL CHEMISTRY 986 30 - 34 2012年04月15日

ISSN: 2210-271X

DOI
Effect of atomic monolayer insertions on electric-field-induced rotation of magnetic easy axis

Tsujikawa, M; Haraguchi, S; Oda, T

JOURNAL OF APPLIED PHYSICS 111 ( 8 ) 2012年04月15日

ISSN: 0021-8979

DOI
Trimethylsumanene: Enantioselective Synthesis, Substituent Effect on Bowl Structure, Inversion Energy, and Electron Conductivity

Higashibayashi, S; Tsuruoka, R; Soujanya, Y; Purushotham, U; Sastry, GN; Seki, S; Ishikawa, T; Toyo … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 85 ( 4 ) 450 - 467 2012年04月15日

ISSN: 0009-2673

DOI
Structural Basis for Specific Recognition of Rpt1p, an ATPase Subunit of 26 S Proteasome, by Proteasome-dedicated Chaperone Hsm3p

Takagi, K; Kim, S; Yukii, H; Ueno, M; Morishita, R; Endo, Y; Kato, K; Tanaka, K; Saeki, Y; Mizushim … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 287 ( 15 ) 12172 - 12182 2012年04月06日

DOI
Synthesis and Properties of Cycloparaphenylene-2,5-pyridylidene: A Nitrogen-Containing Carbon Nanoring

Matsui, K; Segawa, Y; Itami, K

ORGANIC LETTERS 14 ( 7 ) 1888 - 1891 2012年04月06日

ISSN: 1523-7060

DOI
Suppression of self-pulsing instabilities in free-electron lasers using delayed optical feedback

Evain, C; Szwaj, C; Bielawski, S; Couprie, ME; Hosaka, M; Mochihashi, A; Katoh, M

PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS 15 ( 4 ) 2012年04月04日

ISSN: 1098-4402

DOI
C60 bearing ethylene moieties

Sato, T; Iwahara, N; Haruta, N; Tanaka, K

CHEMICAL PHYSICS LETTERS 531 257 - 260 2012年04月02日

ISSN: 0009-2614

DOI
Coordination effects on the electronic structure of the CuA site of cytochrome c oxidase

Koizumi, K; Shigeta, Y; Okuyama, O; Nakamura, H; Takano, Y

CHEMICAL PHYSICS LETTERS 531 197 - 201 2012年04月02日

ISSN: 0009-2614

DOI
Lens-less edge-pumped high power microchip laser

Kong, WP; Taira, T

APPLIED PHYSICS LETTERS 100 ( 14 ) 2012年04月02日

ISSN: 0003-6951

DOI
Real-time electron dynamics simulation of two-electron transfer reactions induced by nuclear motion

Suzuki, Y; Yamashita, K

CHEMICAL PHYSICS LETTERS 531 216 - 222 2012年04月02日

ISSN: 0009-2614

DOI
Improved stability of organic field-effect transistor performance in oligothiophenes including β-isomers

Ashizawa, M; Niimura, T; Yu, Y; Tsuboi, K; Matsumoto, H; Yamada, R; Kawauchi, S; Tanioka, A; Mori, T

TETRAHEDRON 68 ( 13 ) 2790 - 2798 2012年04月01日

ISSN: 0040-4020

DOI
2,2'-Diborylazobenzenes with Double N-B Coordination: Control of Fluorescent Properties by Substituents and Redox Reactions

Kano, N; Furuta, A; Kambe, T; Yoshino, J; Shibata, Y; Kawashima, T; Mizorogi, N; Nagase, S

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 10 ) 1584 - 1587 2012年04月

ISSN: 1434-1948

DOI
Charge Transport in Charge-Ordered States of Two-Dimensional Organic Conductors, α-(BEDT-TTF)2I3 and α′-(BEDT-TTF)2IBr2

Kodama, K; Kimata, M; Takahide, Y; Kurita, N; Harada, A; Satsukawa, H; Terashima, T; Uji, S; Yamamo … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 ( 4 ) 2012年04月

ISSN: 0031-9015

DOI
Existence of Heavy Fermions in the Antiferromagnetic Phase of CeIn3

Iizuka, T; Mizuno, T; Min, BH; Kwon, YS; Kimura, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 ( 4 ) 2012年04月

ISSN: 0031-9015

DOI
GRANULAR TURBULENCE IN TWO DIMENSIONS: MICROSCALE REYNOLDS NUMBER AND FINAL CONDENSED STATES

Isobe, M

INTERNATIONAL JOURNAL OF MODERN PHYSICS C 23 ( 4 ) 2012年04月

ISSN: 0129-1831

DOI
Natural Chlorophyll-Related Porphyrins and Chlorins for Dye-Sensitized Solar Cells

Wang, XF; Kitao, O

MOLECULES 17 ( 4 ) 4484 - 4497 2012年04月

DOI
Novel Bacterial Gas Sensor Proteins with Transition Metal-Containing Prosthetic Groups as Active Sites

Aono, S

ANTIOXIDANTS & REDOX SIGNALING 16 ( 7 ) 678 - 686 2012年04月

ISSN: 1523-0864

DOI
Observation of Riemannian geometric effects on electronic states

Onoe, J; Ito, T; Shima, H; Yoshioka, H; Kimura, S

EPL 98 ( 2 ) 2012年04月

ISSN: 0295-5075

DOI
Reconstructions on AlN Nonpolar Surfaces in the Presence of Hydrogen

Akiyama, T; Saito, Y; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 51 ( 4 ) 2012年04月

ISSN: 0021-4922

DOI
Superconducting Properties of InN with Low Carrier Density near the Mott Transition

Inushima, T; Maude, DK; Lu, H; Schaff, WJ; Iizuka, T; Kimura, S; Yamamoto, A; Fukui, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 ( 4 ) 2012年04月

ISSN: 0031-9015

DOI
Theoretical Analysis of Adsorption Structure of Hydrated Hypophosphite Ion on Pd (111) Surface

Kunimoto, M; Seki, K; Nakai, H; Homma, T

ELECTROCHEMISTRY 80 ( 4 ) 222 - 225 2012年04月

ISSN: 1344-3542

DOI
Optimization of orbital-specific virtuals in local Moller-Plesset perturbation theory

Kurashige, Y; Yang, J; Chan, GKL; Manby, FR

JOURNAL OF CHEMICAL PHYSICS 136 ( 12 ) 2012年03月28日

ISSN: 0021-9606

DOI
Excited states and electronic spectra of annulated dinuclear free-base phthalocyanines: A theoretical study on near-infrared-absorbing dyes

Fukuda, R; Ehara, M

JOURNAL OF CHEMICAL PHYSICS 136 ( 11 ) 2012年03月21日

ISSN: 0021-9606

DOI
Microchip-calorimetry of organic charge transfer complex which shows superconductivity at low temperatures

Muraoka, Y; Yamashita, S; Yamamoto, T; Nakazawa, Y

THERMOCHIMICA ACTA 532 88 - 91 2012年03月20日

ISSN: 0040-6031

DOI
Constrained self-consistent field method revisited toward theoretical designs of functional materials under external field

Yamagata, Y; Imamura, Y; Nakai, H

CHEMICAL PHYSICS LETTERS 530 132 - 136 2012年03月19日

ISSN: 0009-2614

DOI
Three-dimensional electronic structure and interband nesting in the stoichiometric superconductor LiFeAs

Hajiri, T; Ito, T; Niwa, R; Matsunami, M; Min, BH; Kwon, YS; Kimura, S

PHYSICAL REVIEW B 85 ( 9 ) 2012年03月19日

ISSN: 2469-9950

DOI
Dimerization-induced spin-charge coupling in one-dimensional Mott insulators revealed by femtosecond reflection spectroscopy of Rb-tetracyanoquinodimethane salts

Uemura, H; Maeshima, N; Yonemitsu, K; Okamoto, H

PHYSICAL REVIEW B 85 ( 12 ) 2012年03月14日

ISSN: 2469-9950

DOI
Formation of Iron(III) meso-Chloro-isoporphyrin as a Reactive Chlorinating Agent from Oxoiron(IV) Porphyrin π-Cation Radical

Cong, ZQ; Kurahashi, T; Fujii, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 10 ) 4469 - 4472 2012年03月14日

ISSN: 0002-7863

DOI
In Operand X-ray Absorption Fine Structure Studies of Polyoxometalate Molecular Cluster Batteries: Polyoxometalates as Electron Sponges

Wang, H; Hamanaka, S; Nishimoto, Y; Irle, S; Yokoyama, T; Yoshikawa, H; Awaga, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 10 ) 4918 - 4924 2012年03月14日

ISSN: 0002-7863

DOI
Ultraviolet photoelectron spectra of Er2@C82 (I), Er2@C82 (III), Er2C2@C82 (I) and Er2C2@C82 (III)

Miyazaki, T; Sumii, R; Umemoto, H; Okimoto, H; Ito, Y; Sugai, T; Shinohara, H; Zaima, T; Yagi, H; H … 全著者表示

CHEMICAL PHYSICS 397 87 - 91 2012年03月13日

ISSN: 0301-0104

DOI
Electric field detection of coherent synchrotron radiation in a storage ring generated using laser bunch slicing

Katayama, I; Shimosato, H; Bito, M; Furusawa, K; Adachi, M; Shimada, M; Zen, H; Kimura, S; Yamamoto … 全著者表示

APPLIED PHYSICS LETTERS 100 ( 11 ) 2012年03月12日

ISSN: 0003-6951

DOI
Phase transition in porous electrodes. II. Effect of asymmetry in the ion size

Kiyohara, K; Shioyama, H; Sugino, T; Asaka, K

JOURNAL OF CHEMICAL PHYSICS 136 ( 9 ) 2012年03月07日

ISSN: 0021-9606

DOI
Synthesis of Kinetically Stabilized 1,2-Dihydrodisilenes

Agou, T; Sugiyama, Y; Sasamori, T; Sakai, H; Furukawa, Y; Takagi, N; Guo, JD; Nagase, S; Hashizume, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 9 ) 4120 - 4123 2012年03月07日

ISSN: 0002-7863

DOI
Unexpected Formation of a Sc3C2@C80 Bisfulleroid Derivative

Kurihara, H; Iiduka, Y; Rubin, Y; Waelchli, M; Mizorogi, N; Slanina, Z; Tsuchiya, T; Nagase, S; Aka … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 9 ) 4092 - 4095 2012年03月07日

ISSN: 0002-7863

DOI
Molecular Structure and Electronic State of the Dibenzo[a,e]pentalene Anion Radical

Saito, M; Hashimoto, Y; Tajima, T; Ishimura, K; Nagase, S; Minoura, M

CHEMISTRY-AN ASIAN JOURNAL 7 ( 3 ) 480 - 483 2012年03月05日

ISSN: 1861-4728

DOI
Rydberg-valence mixing and interchannel coupling in resonant oxygen 1s inelastic x-ray scattering of O2

Kimberg, V; Gejo, T; Oura, M; Tokushima, T; Horikawa, Y; Arai, H; Shin, S; Kosugi, N

PHYSICAL REVIEW A 85 ( 3 ) 2012年03月05日

ISSN: 1050-2947

DOI
Synthesis of a Bridging Ligand with a Non-denatured Protein Pendant: Toward Protein Encapsulation in a Coordination Cage

Fujita, D; Suzuki, K; Sato, S; Yagi-Utsumi, M; Kurimoto, E; Yamaguchi, Y; Kato, K; Fujita, M

CHEMISTRY LETTERS 41 ( 3 ) 313 - 315 2012年03月05日

ISSN: 0366-7022

DOI
Identification of different origins for s-shaped current voltage characteristics in planar heterojunction organic solar cells

Wagner, J; Gruber, M; Wilke, A; Tanaka, Y; Topczak, K; Steindamm, A; Hörmann, U; Opitz, A; Nakayama … 全著者表示

JOURNAL OF APPLIED PHYSICS 111 ( 5 ) 2012年03月01日

ISSN: 0021-8979

DOI
Anti-Addition Mechanism in the Intramolecular Hydroalkoxylation of Alkenes Catalyzed by PVP-Stabilized Nanogold

Kitahara, H; Sakurai, H

MOLECULES 17 ( 3 ) 2579 - 2586 2012年03月

ISSN: 1420-3049

DOI
Anti-GM1/GD1a complex antibodies in GBS sera specifically recognize the hybrid dimer GM1-GD1a

Mauri, L; Casellato, R; Ciampa, MG; Uekusa, Y; Kato, K; Kaida, K; Motoyama, M; Kusunoki, S; Sonnino … 全著者表示

GLYCOBIOLOGY 22 ( 3 ) 352 - 360 2012年03月

ISSN: 0959-6658

DOI
Luminescence study of self-trapped excitons in CdMoO4

Itoh, M

JOURNAL OF LUMINESCENCE 132 ( 3 ) 645 - 651 2012年03月

ISSN: 0022-2313

DOI
Mechanism of Drug Resistance of Hemagglutinin of Influenza Virus and Potent Scaffolds Inhibiting Its Function

Yanagita, H; Yamamoto, N; Fuji, H; Liu, XL; Ogata, M; Yokota, M; Takaku, H; Hasegawa, H; Odagiri, T … 全著者表示

ACS CHEMICAL BIOLOGY 7 ( 3 ) 552 - 562 2012年03月

ISSN: 1554-8929

DOI
Nano cellulose particles covered with block copolymer of cellulose and methyl methacrylate produced by solid mechano chemical polymerization

Sakaguchi, M; Ohura, T; Iwata, T; Enomoto-Rogers, Y

POLYMER DEGRADATION AND STABILITY 97 ( 3 ) 257 - 263 2012年03月

ISSN: 0141-3910

DOI
Theoretical Analysis of Catalytic Activity of Metal Surfaces on Reaction of Hypophosphite Ion

Kunimoto, M; Nakai, H; Homma, T

ELECTROCHEMISTRY 80 ( 3 ) 126 - 131 2012年03月

ISSN: 1344-3542

DOI
Theory of Photoinduced Phase Transitions in Molecular Conductors: Interplay Between Correlated Electrons, Lattice Phonons and Molecular Vibrations

Yonemitsu, K

CRYSTALS 2 ( 1 ) 56 - 77 2012年03月

ISSN: 2073-4352

DOI
Canonical transcorrelated theory with projected Slater-type geminals

Yanai, T; Shiozaki, T

JOURNAL OF CHEMICAL PHYSICS 136 ( 8 ) 2012年02月28日

ISSN: 0021-9606

DOI
Dynamic hyperpolarizability calculations of large systems: The linear-scaling divide-and-conquer approach

Kobayashi, M; Touma, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 136 ( 8 ) 2012年02月28日

ISSN: 0021-9606

DOI
Computational dye design by changing the conjugation order: Failure of LR-TDDFT to predict relative excitation energies in organic dyes differing by the position of the methine unit

Manzhos, S; Segawa, H; Yamashita, K

CHEMICAL PHYSICS LETTERS 527 51 - 56 2012年02月27日

ISSN: 0009-2614

DOI
Enhancement of the second hyperpolarizability by dσ electrons in one-dimensional tetrametallic transition-metal systems

Fukui, H; Nakano, M; Champagne, B

CHEMICAL PHYSICS LETTERS 527 11 - 15 2012年02月27日

ISSN: 0009-2614

DOI
Origins of the Stability of Imidazole-Imidazole, Benzene-Imidazole, and Benzene-Indole Dimers: CCSD(T)/CBS and SAPT Calculations

Karthikeyan, S; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 7 ) 1694 - 1700 2012年02月23日

ISSN: 1089-5639

DOI
Violating the Isolated Pentagon Rule (IPR): Endohedral Non-IPR C98 Cages of Gd2@C98

Zhao, X; Gao, WY; Yang, T; Zheng, JJ; Li, LS; He, L; Cao, RJ; Nagase, S

INORGANIC CHEMISTRY 51 ( 4 ) 2039 - 2045 2012年02月20日

ISSN: 0020-1669

DOI
Chemical Understanding of Carbide Cluster Metallofullerenes: A Case Study on Sc2C2@C2v(5)-C80 with Complete X-ray Crystallographic Characterizations

Kurihara, H; Lu, X; Iiduka, Y; Nikawa, H; Mizorogi, N; Slanina, Z; Tsuchiya, T; Nagase, S; Akasaka, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 6 ) 3139 - 3144 2012年02月15日

ISSN: 0002-7863

DOI
Chiral phenylazomethine cage

Shomura, R; Higashibayashi, S; Sakurai, H; Matsushita, Y; Sato, A; Higuchi, M

TETRAHEDRON LETTERS 53 ( 7 ) 783 - 785 2012年02月15日

ISSN: 0040-4039

DOI
Self-Assembled Poly(imidazole-palladium): Highly Active, Reusable Catalyst at Parts per Million to Parts per Billion Levels

Yamada, YMA; Sarkar, SM; Uozumi, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 6 ) 3190 - 3198 2012年02月15日

ISSN: 0002-7863

DOI
Synthesis and Properties of [9]Cyclo-1,4-naphthylene: A π-Extended Carbon Nanoring

Yagi, A; Segawa, Y; Itami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 6 ) 2962 - 2965 2012年02月15日

ISSN: 0002-7863

DOI
Development of Polymeric Palladium-Nanoparticle Membrane-Installed Microflow Devices and their Application in Hydrodehalogenation

Yamada, YMA; Watanabe, T; Ohno, A; Uozumi, Y

CHEMSUSCHEM 5 ( 2 ) 293 - 299 2012年02月13日

ISSN: 1864-5631

DOI
ON-OFF switching mechanism of resistive-random-access-memories based on the formation and disruption of oxygen vacancy conducting channels

Kamiya, K; Yang, MY; Park, SG; Magyari-Köpe, B; Nishi, Y; Niwa, M; Shiraishi, K

APPLIED PHYSICS LETTERS 100 ( 7 ) 2012年02月13日

ISSN: 0003-6951

DOI
Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes: Implications for C(sp2)-OH Bond-Forming Reductive Elimination To Generate Phenol Derivatives

Hayashi, Y; Wada, S; Yamashita, M; Nozald, K

ORGANOMETALLICS 31 ( 3 ) 1073 - 1081 2012年02月13日

ISSN: 0276-7333

DOI
17,17-Dialkyltetrabenzo[a,c,g,i]fluorenes with extremely high solid-state fluorescent quantum yields: relationship between crystal structure and fluorescent properties

Kitamura, C; Tanigawa, Y; Kobayashi, T; Naito, H; Kurata, H; Kawase, T

TETRAHEDRON 68 ( 6 ) 1688 - 1694 2012年02月11日

ISSN: 0040-4020

DOI
Halide Ion Complexes of Decaborane (B10H14) and Their Derivatives: Noncovalent Charge Transfer Effect on Second-Order Nonlinear Optical Properties

Muhammad, S; Minami, T; Fukui, H; Yoneda, K; Kishi, R; Shigeta, Y; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 5 ) 1417 - 1424 2012年02月09日

ISSN: 1089-5639

DOI
Gas-Phase Reactivity of Group 11 Dimethylmetallates with Allyl Iodide

Rijs, NJ; Yoshikai, N; Nakamura, E; O'Hair, RAJ

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134 ( 5 ) 2569 - 2580 2012年02月08日

ISSN: 0002-7863

DOI
Angle-resolved metastable fragment yields spectra of N2 and CO in K-edge excitation energy region

Gejo, T; Tamura, T; Honma, K; Shigemasa, E; Hikosaka, Y; Tamenori, Y

JOURNAL OF CHEMICAL PHYSICS 136 ( 5 ) 2012年02月07日

ISSN: 0021-9606

DOI
Competing effects of rare gas atoms in matrix isolation spectroscopy: A case study of vibrational shift of BeO in Xe and Ar matrices

Nakayama, A; Niimi, K; Ono, Y; Taketsugu, T

JOURNAL OF CHEMICAL PHYSICS 136 ( 5 ) 2012年02月07日

ISSN: 0021-9606

DOI
Substituent Effects on Core Structures and Heterogeneous Catalytic Activities of MnIII(μ-O)2MnIV Dimers with 2,2′:6′,2"-Terpyridine Derivative Ligands for Water Oxidation

Yamazaki, H; Igarashi, S; Nagata, T; Yagi, M

INORGANIC CHEMISTRY 51 ( 3 ) 1530 - 1539 2012年02月06日

ISSN: 0020-1669

DOI
Theoretical Insight into Stereoselective Reaction Mechanisms of 2,4-Pentanediol-Tethered Ketene-Olefin [2+2] Cycloaddition

Kamiya, K; Matsui, T; Sugimura, T; Shigeta, Y

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 4 ) 1168 - 1175 2012年02月02日

ISSN: 1089-5639

DOI
Ab initio-based approach to reconstruction, adsorption and incorporation on GaN surfaces

Ito, T; Akiyama, T; Nakamura, K

SEMICONDUCTOR SCIENCE AND TECHNOLOGY 27 ( 2 ) 2012年02月

ISSN: 0268-1242

DOI
An Amidinate-Stabilized Germatrisilacyclobutadiene Ylide

Yeong, HX; Zhang, SH; Xi, HW; Guo, JD; Lim, KH; Nagase, S; So, CW

CHEMISTRY-A EUROPEAN JOURNAL 18 ( 9 ) 2685 - 2691 2012年02月

ISSN: 0947-6539

DOI
Anisotropy of Upper Critical Field in a One-Dimensional Organic System, (TMTTF)2PF6 under High Pressure

Kano, M; Mori, H; Matsubayashi, K; Itoi, M; Hedo, M; Murphy, TP; Tozer, SW; Uwatoko, Y; Nakamura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 ( 2 ) 2012年02月

ISSN: 0031-9015

DOI
Catalytic Four-Electron Oxidation of Water by Intramolecular Coupling of the Oxo Ligands of a Bis(ruthenium-bipyridine) Complex

Wada, T; Ohtsu, H; Tanaka, K

CHEMISTRY-A EUROPEAN JOURNAL 18 ( 8 ) 2374 - 2381 2012年02月

ISSN: 0947-6539

DOI
Efficient Structure for Deep-Ultraviolet Light-Emitting Diodes with High Emission Efficiency: A First-Principles Study of AlN/GaN Superlattice

Kamiya, K; Ebihara, Y; Kasu, M; Shiraishi, K

JAPANESE JOURNAL OF APPLIED PHYSICS 51 ( 2 ) 2012年02月

ISSN: 0021-4922

DOI
INTERACTION OF SINGLE-WALLED CARBON NANOTUBES WITH AMINE

Maeda, Y; Yamada, M; Hasegawa, T; Akasaka, T; Lu, J; Nagase, S

NANO 7 ( 1 ) 2012年02月

ISSN: 1793-2920

DOI
Imaging molecular potentials using ultrahigh-resolution resonant photoemission

Miron, C; Nicolas, C; Travnikova, O; Morin, P; Sun, YP; Gel'mukhanov, F; Kosugi, N; Kimberg, V

NATURE PHYSICS 8 ( 2 ) 135 - 138 2012年02月

ISSN: 1745-2473

DOI
Luminescence properties of KCl:Ag- crystals excited near the fundamental absorption edge

Kawai, T; Hirai, T

JOURNAL OF LUMINESCENCE 132 ( 2 ) 513 - 516 2012年02月

ISSN: 0022-2313

DOI
Phase Behavior of a Lipid Bilayer System Studied by a Replica-Exchange Molecular Dynamics Simulation

Nagai, T; Ueoka, R; Okamoto, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 81 ( 2 ) 2012年02月

ISSN: 0031-9015

DOI
Stability of nitrogen incorporated Al2O3 surfaces: Formation of AIN layers by oxygen desorption

Akiyama, T; Saito, Y; Nakamura, K; Ito, T

SURFACE SCIENCE 606 ( 3-4 ) 221 - 225 2012年02月

ISSN: 0039-6028

DOI
Syntheses, Properties, and Photoreactions of the Hybrid Molecules Consisting of a CoII Mononuclear Complex and Porphyrins

Kon, H; Nagata, T

CHEMISTRY-A EUROPEAN JOURNAL 18 ( 6 ) 1781 - 1788 2012年02月

ISSN: 0947-6539

DOI
Tunable and sizable band gap of single-layer graphene sandwiched between hexagonal boron nitride

Quhe, RG; Zheng, JX; Luo, GF; Liu, QH; Qin, R; Zhou, J; Yu, DP; Nagase, S; Mei, WN; Gao, ZX; Lu, J

NPG ASIA MATERIALS 4 2012年02月

ISSN: 1884-4049

DOI
High-power, single-longitudinal-mode terahertz-wave generation pumped by a microchip Nd:YA Glaser [Invited]

Hayashi, S; Nawata, K; Sakai, H; Taira, T; Minamide, H; Kawase, K

OPTICS EXPRESS 20 ( 3 ) 2881 - 2886 2012年01月30日

ISSN: 1094-4087

DOI
Polarization dependent resonant x-ray emission spectroscopy of D2O and H2O water: Assignment of the local molecular orbital symmetry

Tokushima, T; Horikawa, Y; Arai, H; Harada, Y; Takahashi, O; Pettersson, LGM; Nilsson, A; Shin, S

JOURNAL OF CHEMICAL PHYSICS 136 ( 4 ) 2012年01月28日

ISSN: 0021-9606

DOI
Tuned long-range corrected density functional theory method for evaluating the second hyperpolarizabilities of open-shell singlet metal-metal bonded systems

Fukui, H; Inoue, Y; Kishi, R; Shigeta, Y; Champagne, B; Nakano, M

CHEMICAL PHYSICS LETTERS 523 60 - 64 2012年01月27日

ISSN: 0009-2614

DOI
Photophysical Properties and Photochemistry of EE-, EZ-, and ZZ-1, 4-Dimethoxy-2,5-bis[2-(thien-2-yl)ethenyl] Benzene in Solution: Theory and Experiment

Suramitr, S; Phalinyot, S; Wolschann, P; Fukuda, R; Ehara, M; Hannongbua, S

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 3 ) 924 - 937 2012年01月26日

ISSN: 1089-5639

DOI
Dominance of the first excitation step for magnetic circular dichroism in near-threshold two-photon photoemission

Hild, K; Schönhense, G; Elmers, HJ; Nakagawa, T; Yokoyama, T; Tarafder, K; Oppeneer, PM

PHYSICAL REVIEW B 85 ( 1 ) 2012年01月23日

ISSN: 1098-0121

DOI
Diradical Character View of Singlet Fission

Minami, T; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3 ( 2 ) 145 - 150 2012年01月19日

ISSN: 1948-7185

DOI
A DFT study on geometric preference of non-bridging form to bridging form in molybdenum complexes with phosphenium ligand

Tsuchida, N; Isoi, M; Nakazawa, H; Takano, K

JOURNAL OF ORGANOMETALLIC CHEMISTRY 697 ( 1 ) 41 - 50 2012年01月15日

ISSN: 0022-328X

DOI
Face-to-Face Dimeric Tetrathiafulvalenes and Their Cation Radical and Dication Species as Models of Mixed Valence and π-Dimer States

Hasegawa, M; Daigoku, K; Hashimoto, K; Nishikawa, H; Iyoda, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 85 ( 1 ) 51 - 60 2012年01月15日

ISSN: 0009-2673

DOI
Prediction of sites of metabolism in a substrate molecule, instanced by carbamazepine oxidation by CYP3A4

Yuki, H; Honma, T; Hata, M; Hoshino, T

BIOORGANIC & MEDICINAL CHEMISTRY 20 ( 2 ) 775 - 783 2012年01月15日

ISSN: 0968-0896

DOI
X-ray detection capability of a BaCl2 single crystal scintillator

Koshimizu, M; Onodera, K; Nishikido, F; Haruki, R; Shibuya, K; Kishimoto, S; Asai, K

JOURNAL OF APPLIED PHYSICS 111 ( 2 ) 2012年01月15日

ISSN: 0021-8979

DOI
Full configuration interaction calculations of the second hyperpolarizabilities of the H4 model compound: Summation-over-states analysis and interplay with diradical characters

Nakano, M; Minami, T; Fukui, H; Kishi, R; Shigeta, Y; Champagne, B

JOURNAL OF CHEMICAL PHYSICS 136 ( 2 ) 2012年01月14日

ISSN: 0021-9606

DOI
Effect of Side Groups for Ruthenium Bipyridyl Dye on the Interactions with Iodine in Dye-Sensitized Solar Cells

Kusama, H; Sayama, K

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 1 ) 1493 - 1502 2012年01月12日

ISSN: 1932-7447

DOI
Effects of Atomic Arrangements on Structural Stability and Electronic Structures of Twin Boundary Interfaces in CaCO3 Calcite

Akiyama, T; Nakamura, K; Ito, T

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 1 ) 987 - 993 2012年01月12日

ISSN: 1932-7447

DOI
Merged- and Separate-Band Behavior of the C=O Stretching Band in N,N-Dimethylformamide Isotopic Liquid Mixtures: DMF/DMF-d1, DMF/DMF-d6, and DMF/DMF-13C=O

Torii, H; Giorgini, MG; Musso, M

JOURNAL OF PHYSICAL CHEMISTRY B 116 ( 1 ) 353 - 366 2012年01月12日

ISSN: 1520-6106

DOI
Nonradiative Deactivation Mechanisms of Uracil, Thymine, and 5-Fluorouracil: A Comparative ab Initio Study

Yamazaki, S; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY A 116 ( 1 ) 491 - 503 2012年01月12日

ISSN: 1089-5639

DOI
Photoelectron Spectroscopy of Sc3N@C78

Hino, S; Zenki, M; Zaima, T; Aoki, Y; Okita, S; Ohta, T; Yagi, H; Miyazaki, T; Sumii, R; Okimoto, H … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 1 ) 165 - 170 2012年01月12日

ISSN: 1932-7447

DOI
Two Different Lifetimes of Charge Separated States: a Porphyrin-Quinone System in Artificial Photosynthesis

Jono, R; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 116 ( 1 ) 1445 - 1449 2012年01月12日

ISSN: 1932-7447

DOI
Assessment of chemical core potentials for the computation on enthalpies of formation of transition-metal complexes

Mori, H; Zeng, T; Klobukowski, M

CHEMICAL PHYSICS LETTERS 521 150 - 156 2012年01月10日

ISSN: 0009-2614

DOI
Double core-hole correlation satellite spectra of N2 and CO molecules

Tashiro, M; Ueda, K; Ehara, M

CHEMICAL PHYSICS LETTERS 521 45 - 51 2012年01月10日

ISSN: 0009-2614

DOI
Evaluation of electron repulsion integral of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory

Nishizawa, H; Hoshino, M; Imamura, Y; Nakai, H

CHEMICAL PHYSICS LETTERS 521 142 - 149 2012年01月10日

ISSN: 0009-2614

DOI
Core-to-Rydberg band shift and broadening of hydrogen bonded ammonia clusters studied with nitrogen K-edge excitation spectroscopy

Yamanaka, T; Tabayashi, K; Takahashi, O; Tanaka, K; Namatame, H; Taniguchi, M

JOURNAL OF CHEMICAL PHYSICS 136 ( 1 ) 2012年01月07日

ISSN: 0021-9606

DOI
Enantioselective Carbenoid Insertion into Phenolic O-H Bonds with a Chiral Copper(I) Imidazoindolephosphine Complex

Osako, T; Panichakul, D; Uozumi, Y

ORGANIC LETTERS 14 ( 1 ) 194 - 197 2012年01月06日

ISSN: 1523-7060

DOI
Ab Initio Molecular Dynamics Approach to Tunneling Splitting in Polyatomic Molecules

Ootani, Y; Taketsugu, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 33 ( 1 ) 60 - 65 2012年01月05日

ISSN: 0192-8651

DOI
Does B3LYP correctly describe magnetism of manganese complexes with various oxidation numbers and various structural motifs?

Yamanaka, S; Kanda, K; Saito, T; Kitagawa, Y; Kawakami, T; Ehara, M; Okumura, M; Nakamura, H; Yamag … 全著者表示

CHEMICAL PHYSICS LETTERS 519-20 134 - 140 2012年01月05日

ISSN: 0009-2614

DOI
Effectiveness of Optimizing Geometry for CaMn4O5 Cluster at 1.9 Å Resolved OEC and Proposal for Oxidation Mechanism from S0 to S3 States

Ichino, T; Yamaguchi, K; Yoshioka, Y

CHEMISTRY LETTERS 41 ( 1 ) 18 - 20 2012年01月05日

ISSN: 0366-7022

DOI
Mechanism of the Secondary Structure Dependence of the Infrared Intensity of the Amide II Mode of Peptide Chains

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3 ( 1 ) 112 - 116 2012年01月05日

ISSN: 1948-7185

DOI
Selective Synthesis of C3 Symmetric Functionalized Sumanenes

Higashibayashi, S; Baig, RBN; Morita, Y; Sakurai, H

CHEMISTRY LETTERS 41 ( 1 ) 84 - 86 2012年01月05日

ISSN: 0366-7022

DOI
Dual Roles of Polyhydroxy Matrices in the Homocoupling of Arylboronic Acids Catalyzed by Gold Nanoclusters under Acidic Conditions

Dhital, RN; Murugadoss, A; Sakurai, H

CHEMISTRY-AN ASIAN JOURNAL 7 ( 1 ) 55 - 59 2012年01月02日

ISSN: 1861-4728

DOI
Bis(tetra-n-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-κ2S,S′)palladium(II)

Tomura, M; Yamashita, Y

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 68 M57 - + 2012年01月

ISSN: 1600-5368

DOI
Catalytically highly active top gold atom on palladium nanocluster

Zhang, HJ; Watanabe, T; Okumura, M; Haruta, M; Toshima, N

NATURE MATERIALS 11 ( 1 ) 49 - 52 2012年01月

ISSN: 1476-1122

DOI
Cell-Penetrating Peptide Induces Various Deformations of Lipid Bilayer Membrane: Inverted Micelle, Double Bilayer, and Transmembrane

Kawamoto, S; Miyakawa, T; Takasu, M; Morikawa, R; Oda, T; Saito, H; Futaki, S; Nagao, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 112 ( 1 ) 178 - 183 2012年01月

ISSN: 0020-7608

DOI
EUV and soft X-ray photoelectron spectroscopy of isolated atoms and molecules using single-order laser high-harmonics at 42 eV and 91 eV

Fushitani, M; Matsuda, A; Hishikawa, A

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 184 ( 11-12 ) 561 - 568 2012年01月

ISSN: 0368-2048

DOI
Electronic Structures of the Cu2S2 Core of the CuA Site in Cytochrome c Oxidase and Nitrous Oxide Reductase

Takano, Y; Shigeta, Y; Koizumi, K; Nakamura, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 112 ( 1 ) 208 - 218 2012年01月

ISSN: 0020-7608

DOI
Geometries and Electronic Structures of Diamond Nanoparticles

Kamiya, K; Okada, S

JAPANESE JOURNAL OF APPLIED PHYSICS 51 ( 1 ) 2012年01月

ISSN: 0021-4922

DOI
Impact of short-range order and clusterization on the bandgap bowing: First-principles calculations on the electronic properties of metastable (GaAs)1-x(Ge2)x alloys

Kawai, H; Giorgi, G; Yamashita, K

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 249 ( 1 ) 29 - 37 2012年01月

ISSN: 0370-1972

DOI
Possible Mechanisms of Water Splitting Reaction Based on Proton and Electron Release Pathways Revealed for CaMn4O5 Cluster of PSII Refined to 1.9 Å X-Ray Resolution

Saito, T; Yamanaka, S; Kanda, K; Isobe, H; Takano, Y; Shigeta, Y; Umena, Y; Kawakami, K; Shen, JR; … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 112 ( 1 ) 253 - 276 2012年01月

ISSN: 0020-7608

DOI
Preparation and Catalytic Performances of a Molecularly Imprinted Ru-Complex Catalyst with an NH2 Binding Site on a SiO2 Surface

Yang, Y; Weng, ZH; Muratsugu, S; Ishiguro, N; Ohkoshi, S; Tada, M

CHEMISTRY-A EUROPEAN JOURNAL 18 ( 4 ) 1142 - 1153 2012年01月

ISSN: 0947-6539

DOI
Reconstructions on AlN Polar Surfaces under Hydrogen Rich Conditions

Akiyama, T; Obara, D; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 51 ( 1 ) 2012年01月

ISSN: 0021-4922

DOI
Structure and Reactivity of the Mixed-Valence CaMn4O5(H2O)4 and CaMn4O4(OH)(H2O)4 Clusters at Oxygen Evolution Complex of Photosystem II. Hybrid DFT (UB3LYP and UBHandHLYP) Calculations

Yamanaka, S; Saito, T; Kanda, K; Isobe, H; Umena, Y; Kawakami, K; Shen, JR; Kamiya, N; Okumura, M; … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 112 ( 1 ) 321 - 343 2012年01月

ISSN: 0020-7608

DOI
The Fast-Folding Mechanism of Villin Headpiece Subdomain Studied by Multiscale Distributed Computing

Harada, R; Kitao, A

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8 ( 1 ) 290 - 299 2012年01月

ISSN: 1549-9618

DOI
Theory of Chemical Bonds in Metalloenzymes. XVII. Symmetry Breaking in Manganese Cluster Structures and Chameleonic Mechanisms for the O-O Bond Formation of Water Splitting Reaction

Saito, T; Shoji, M; Kanda, K; Isobe, H; Yamanaka, S; Kitagawa, Y; Yamada, S; Kawakami, T; Okumura, … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 112 ( 1 ) 121 - 135 2012年01月

ISSN: 0020-7608

DOI
Visible-Light-Triggered Release of Nitric Oxide from N-Pyramidal Nitrosamines

Karaki, F; Kabasawa, Y; Yanagimoto, T; Umeda, N; Firman; Urano, Y; Nagano, T; Otani, Y; Ohwada, T

CHEMISTRY-A EUROPEAN JOURNAL 18 ( 4 ) 1127 - 1141 2012年01月

ISSN: 0947-6539

DOI
1,3,5-Benzenetriamine Double- and Triple-Decker Molecules

Sakamaki, D; Ito, A; Tanaka, K; Furukawa, K; Kato, T; Shiro, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 33 ) 8281 - 8285 2012年

ISSN: 1433-7851

DOI
4D Visualization of a Cathode Catalyst Layer in a Polymer Electrolyte Fuel Cell by 3D Laminography-XAFS

Saida, T; Sekizawa, O; Ishiguro, N; Hoshino, M; Uesugi, K; Uruga, T; Ohkoshi, S; Yokoyama, T; Tada, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 41 ) 10311 - 10314 2012年

ISSN: 1433-7851

DOI
A Co-Crystal Composed of the Paramagnetic Endohedral Metallofullerene La@C82 and a Nickel Porphyrin with High Electron Mobility

Sato, S; Nikawa, H; Seki, S; Wang, L; Luo, GF; Lu, J; Haranaka, M; Tsuchiya, T; Nagase, S; Akasaka, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 7 ) 1589 - 1591 2012年

ISSN: 1433-7851

DOI
A Polymacrocyclic Oligoarylamine with a Pseudobeltane Motif: Towards a Cylindrical Multispin System

Sakamaki, D; Ito, A; Furukawa, K; Kato, T; Shiro, M; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 51 ) 12776 - 12781 2012年

ISSN: 1433-7851

DOI
A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions

Okamura, M; Yoshida, M; Kuga, R; Sakai, K; Kondo, M; Masaoka, S

DALTON TRANSACTIONS 41 ( 42 ) 13081 - 13089 2012年

ISSN: 1477-9226

DOI
A novel "turn-on'' fluorescent chemosensor for the selective detection of Al3+ based on aggregation-induced emission

Han, TY; Feng, X; Tong, B; Shi, JB; Chen, L; Zhi, JG; Dong, YP

CHEMICAL COMMUNICATIONS 48 ( 3 ) 416 - 418 2012年

ISSN: 1359-7345

DOI
Aerobic oxidation of methanol to formic acid on Au20-: a theoretical study on the reaction mechanism

Bobuatong, K; Karanjit, S; Fukuda, R; Ehara, M; Sakurai, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 9 ) 3103 - 3111 2012年

ISSN: 1463-9076

DOI
Alternative approach of generating entanglement in quantum dots by spatial phase

Mishima, K; Yamashita, K

MOLECULAR PHYSICS 110 ( 9-10 ) 735 - 742 2012年

ISSN: 0026-8976

DOI
An Organic Hydride Transfer Reaction of a Ruthenium NAD Model Complex Leading to Carbon Dioxide Reduction

Ohtsu, H; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 39 ) 9792 - 9795 2012年

ISSN: 1433-7851

DOI
Aromaticity and π-bond covalency: prominent intermolecular covalent bonding interaction of a Kekule hydrocarbon with very significant singlet biradical character

Shimizu, A; Hirao, Y; Matsumoto, K; Kurata, H; Kubo, T; Uruichi, M; Yakushi, K

CHEMICAL COMMUNICATIONS 48 ( 45 ) 5629 - 5631 2012年

ISSN: 1359-7345

DOI
Binding of Tat peptides on DOPC and DOPG lipid bilayer membrane studied by molecular dynamics simulations

Kawamoto, S; Takasu, M; Miyakawa, T; Morikawa, R; Oda, T; Futaki, S; Nagao, H

MOLECULAR SIMULATION 38 ( 5 ) 366 - 368 2012年

ISSN: 0892-7022

DOI
Charge-order driven proton arrangement in a hydrogen-bonded charge-transfer complex based on a pyridyl-substituted TTF derivative

Lee, SC; Ueda, A; Kamo, H; Takahashi, K; Uruichi, M; Yamamoto, K; Yakushi, K; Nakao, A; Kumai, R; K … 全著者表示

CHEMICAL COMMUNICATIONS 48 ( 69 ) 8673 - 8675 2012年

ISSN: 1359-7345

DOI
Combined experimental and theoretical studies on the photophysical properties of cycloparaphenylenes

Segawa, Y; Fukazawa, A; Matsuura, S; Omachi, H; Yamaguchi, S; Irle, S; Itami, K

ORGANIC & BIOMOLECULAR CHEMISTRY 10 ( 30 ) 5979 - 5984 2012年

ISSN: 1477-0520

DOI
Conducting metallophthalocyanine 2D covalent organic frameworks: the role of central metals in controlling π-electronic functions

Ding, XS; Feng, X; Saeki, A; Seki, S; Nagai, A; Jiang, DL

CHEMICAL COMMUNICATIONS 48 ( 71 ) 8952 - 8954 2012年

ISSN: 1359-7345

DOI
Covalent organic frameworks

Feng, X; Ding, XS; Jiang, DL

CHEMICAL SOCIETY REVIEWS 41 ( 18 ) 6010 - 6022 2012年

ISSN: 0306-0012

DOI
Cyclometalated Ruthenium(II) Complexes as Near-IR Sensitizers for High Efficiency Dye-Sensitized Solar Cells

Funaki, T; Funakoshi, H; Kitao, O; Onozawa-Komatsuzaki, N; Kasuga, K; Sayama, K; Sugihara, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 30 ) 7528 - 7531 2012年

ISSN: 1433-7851

DOI
Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation

Yazawa, K; Suzuki, F; Nishiyama, Y; Ohata, T; Aoki, A; Nishimura, K; Kaji, H; Shimizue, T; Asakura, … 全著者表示

CHEMICAL COMMUNICATIONS 48 ( 91 ) 11199 - 11201 2012年

ISSN: 1359-7345

DOI
Drastic difference in the photo-driven hydrogenation reactions of ruthenium complexes containing NAD model ligands

Ohtsu, H; Tanaka, K

CHEMICAL COMMUNICATIONS 48 ( 12 ) 1796 - 1798 2012年

ISSN: 1359-7345

DOI
Electronic Properties of Trifluoromethylated Corannulenes

Schmidt, BM; Seki, S; Topolinski, B; Ohkubo, K; Fukuzumi, S; Sakurai, H; Lentz, D

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 45 ) 11385 - 11388 2012年

ISSN: 1433-7851

DOI
Electronic and Spin Structures of the CaMn4O5(H2O)4 Cluster in OEC of PSII Refined to 1.9 Å X-ray Resolution

Yamanaka, S; Kanda, K; Saito, T; Umena, Y; Kawakami, K; Shen, JR; Kamiya, N; Okumura, M; Nakamura, … 全著者表示

ADVANCES IN QUANTUM CHEMISTRY, VOL 64 64 121 - 187 2012年

ISBN: 978-0-12-396498-4

ISSN: 0065-3276

DOI
Emission amplification by sumanene nanocrystals in an onigiri-type organic-organic assembly

Morita, Y; Nakao, S; Haesuwannakij, S; Higashibayashi, S; Sakurai, H

CHEMICAL COMMUNICATIONS 48 ( 72 ) 9050 - 9052 2012年

ISSN: 1359-7345

DOI
Energy analysis of weak electron-donor-acceptor complexes and water clusters with the perturbation theory based on the locally projected molecular orbitals: charge-transfer and dispersion terms

Iwata, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 21 ) 7787 - 7794 2012年

ISSN: 1463-9076

DOI
Experimental electron density of sumanene, a bowl-shaped fullerene fragment; comparison with the related corannulene hydrocarbon

Mebs, S; Weber, M; Luger, P; Schmidt, BM; Sakurai, H; Higashibayashi, S; Onogi, S; Lentz, D

ORGANIC & BIOMOLECULAR CHEMISTRY 10 ( 11 ) 2218 - 2222 2012年

ISSN: 1477-0520

DOI
Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition

Yanai, T; Kurashige, Y; Neuscamman, E; Chan, GKL

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 21 ) 7809 - 7820 2012年

ISSN: 1463-9076

DOI
Fluorescent azadipyrrinato zinc(II) complex: hybridisation with a dipyrrinato ligand

Sakamoto, R; Kusaka, S; Kitagawa, Y; Kishida, M; Hayashi, M; Takara, Y; Tsuchiya, M; Kakinuma, J; T … 全著者表示

DALTON TRANSACTIONS 41 ( 46 ) 14035 - 14037 2012年

ISSN: 1477-9226

DOI
Gas-to-solid shift of C 1s-excited benzene

Flesch, R; Serdaroglu, E; Blobner, F; Feulner, P; Brykalova, XO; Pavlychev, AA; Kosugi, N; Rühl, E

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 26 ) 9397 - 9402 2012年

ISSN: 1463-9076

DOI
Giant magnetoresistance in silicene nanoribbons

Xu, CY; Luo, GF; Liu, QH; Zheng, JX; Zhang, ZM; Nagase, S; Gao, ZX; Lu, J

NANOSCALE 4 ( 10 ) 3111 - 3117 2012年

ISSN: 2040-3364

DOI
Gold/Palladium Bimetallic Alloy Nanoclusters Stabilized by Chitosan as Highly Efficient and Selective Catalysts for Homocoupling of Arylboronic Acid

Sophiphun, O; Wittayakun, J; Dhital, RN; Haesuwannakij, S; Murugadoss, A; Sakurai, H

AUSTRALIAN JOURNAL OF CHEMISTRY 65 ( 9 ) 1238 - 1243 2012年

ISSN: 0004-9425

DOI
Growth and Electrochemical Properties of Carbon Nanosheets via Microwave Plasma Enhanced Chemical Vapor Deposition

Wang, ZP; Shoji, M; Ogata, H

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 20 ( 4-7 ) 473 - 481 2012年

ISSN: 1536-383X

DOI
Heterogeneous Catalysis by Gold

Takei, T; Akita, T; Nakamura, I; Fujitani, T; Okumura, M; Okazaki, K; Huang, JH; Ishida, T; Haruta, … 全著者表示

ADVANCES IN CATALYSIS, VOL 55 55 1 - 126 2012年

ISBN: 978-0-12-385516-9

ISSN: 0360-0564

DOI
High-Rate Charge-Carrier Transport in Porphyrin Covalent Organic Frameworks: Switching from Hole to Electron to Ambipolar Conduction

Feng, X; Liu, LL; Honsho, Y; Saeki, A; Seki, S; Irle, S; Dong, YP; Nagai, A; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 11 ) 2618 - 2622 2012年

ISSN: 1433-7851

DOI
How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method

Kobayashi, M; Nakai, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 21 ) 7629 - 7639 2012年

ISSN: 1463-9076

DOI
Importance of the CH/π hydrogen bond in the enhancement of CD amplitude of exomethylene steroids

Takahashi, O; Yamasaki, K; Kohno, Y; Ueda, K; Nishio, M

RSC ADVANCES 2 ( 29 ) 10891 - 10898 2012年

DOI
Isolation of a PBP-Pincer Rhodium Complex Stabilized by an Intermolecular C?H s Coordination as the Fourth Ligand

Hasegawa, M; Segawa, Y; Yamashita, M; Nozaki, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 28 ) 6956 - 6960 2012年

ISSN: 1433-7851

DOI
Kinetics and DFT studies on water oxidation by Ce4+ catalyzed by [Ru(terpy)(bpy)(OH2)]2+

Kimoto, A; Yamauchi, K; Yoshida, M; Masaoka, S; Sakai, K

CHEMICAL COMMUNICATIONS 48 ( 2 ) 239 - 241 2012年

ISSN: 1359-7345

DOI
Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations

Yamamoto, S; Zhang, Y; Yamaguchi, T; Kameda, T; Kato, K

CHEMICAL COMMUNICATIONS 48 ( 39 ) 4752 - 4754 2012年

ISSN: 1359-7345

DOI
Location of protons in N-H•••N hydrogen-bonded systems: a theoretical study on intramolecular pyridine-dihydropyridine and pyridine-pyridinium pairs

Mori, Y; Takano, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 31 ) 11090 - 11098 2012年

ISSN: 1463-9076

DOI
Molecular cluster batteries of nano-hybrid materials between Keggin POMs and SWNTs

Wang, H; Kawasaki, N; Yokoyama, T; Yoshikawa, H; Awaga, K

DALTON TRANSACTIONS 41 ( 33 ) 9863 - 9866 2012年

ISSN: 1477-9226

DOI
Nonradiative decay dynamics of methyl-4-hydroxycinnamate and its hydrated complex revealed by picosecond pump-probe spectroscopy

Shimada, D; Kusaka, R; Inokuchi, Y; Ehara, M; Ebata, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 25 ) 8999 - 9005 2012年

ISSN: 1463-9076

DOI
One-Dimensional Uneven Peanut-Shaped C60 Polymer: A Quantum Electronic System in Riemannian Space

Onoe, J; Ito, T; Kimura, SI; Shima, H; Toda, Y; Yoshioka, H

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 20 ( 1 ) 1 - 16 2012年

ISSN: 1536-383X

DOI
Palladium doping of magic gold cluster Au38(SC2H4Ph)24: formation of Pd2Au36(SC2H4Ph)24 with higher stability than Au38(SC2H4Ph)24

Negishi, Y; Igarashi, K; Munakata, K; Ohgake, W; Nobusada, K

CHEMICAL COMMUNICATIONS 48 ( 5 ) 660 - 662 2012年

ISSN: 1359-7345

DOI
Photoinduced Hydrogen Evolution from Water by a Simple Platinum(II) Terpyridine Derivative: A Z-Scheme Photosynthesis

Kobayashi, M; Masaoka, S; Sakai, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 30 ) 7431 - 7434 2012年

ISSN: 1433-7851

DOI
Photoluminescence studies of nitrogen-doped TiO2 powders prepared by annealing with urea

Kawai, T; Kishimoto, Y; Kifune, K

PHILOSOPHICAL MAGAZINE 92 ( 33 ) 4088 - 4097 2012年

ISSN: 1478-6435

DOI
Photoreaction channels of the guanine-cytosine base pair explored by long-range corrected TDDFT calculations

Yamazaki, S; Taketsugu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 25 ) 8866 - 8877 2012年

ISSN: 1463-9076

DOI
Physical properties of a molecular conductor (BEDT-TTF)2I3 nanohybridized with silica nanoparticles by dry grinding

Funabiki, A; Sugiyama, H; Mochida, T; Ichimura, K; Okubo, T; Furukawa, K; Nakamura, T

RSC ADVANCES 2 ( 3 ) 1055 - 1060 2012年

ISSN: 2046-2069

DOI
Proton-induced switching of the single molecule magnetic properties of a porphyrin based TbIII double-decker complex

Tanaka, D; Inose, T; Tanaka, H; Lee, S; Ishikawa, N; Ogawa, T

CHEMICAL COMMUNICATIONS 48 ( 63 ) 7796 - 7798 2012年

ISSN: 1359-7345

DOI
Reconstruction and electronic properties of silicon nanosheets as a function of thickness

Spencer, MJS; Morishita, T; Snook, IK

NANOSCALE 4 ( 9 ) 2906 - 2913 2012年

ISSN: 2040-3364

DOI
Reversible iodine absorption by alkali-TCNQ salts with associated changes in physical properties

Funabiki, A; Mochida, T; Takahashi, K; Mori, H; Sakurai, T; Ohta, H; Uruichi, M

JOURNAL OF MATERIALS CHEMISTRY 22 ( 17 ) 8361 - 8366 2012年

ISSN: 0959-9428

DOI
Sc2@C3v(8)-C82 vs. Sc2C2@C3v(8)-C82: drastic effect of C2 capture on the redox properties of scandium metallofullerenes

Kurihara, H; Lu, X; Iiduka, Y; Mizorogi, N; Slanina, Z; Tsuchiya, T; Nagase, S; Akasaka, T

CHEMICAL COMMUNICATIONS 48 ( 9 ) 1290 - 1292 2012年

ISSN: 1359-7345

DOI
Self-Assembly of Tubular Microstructures from Mixed-Valence Metal Complexes and Their Reversible Transformation by External Stimuli

Kuroiwa, K; Yoshida, M; Masaoka, S; Kaneko, K; Sakai, K; Kimizuka, N

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 3 ) 656 - 659 2012年

ISSN: 1433-7851

DOI
Size-selective synthesis of [9]-[11] and [13]cycloparaphenylenes

Ishii, Y; Nakanishi, Y; Omachi, H; Matsuura, S; Matsui, K; Shinohara, H; Segawa, Y; Itami, K

CHEMICAL SCIENCE 3 ( 7 ) 2340 - 2345 2012年

ISSN: 2041-6520

DOI
Solid-state 17O NMR and computational studies of terminal transition metal oxo compounds

Zhu, JF; Kurahashi, T; Fujii, H; Wu, G

CHEMICAL SCIENCE 3 ( 2 ) 391 - 397 2012年

ISSN: 2041-6520

DOI
Soluble and Tubular Higher Fullerenes that Encapsulate Metals

Lu, X; Akasaka, T; Nagase, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 12 ) 2812 - 2814 2012年

ISSN: 1433-7851

DOI
Steric effect for proton, hydrogen-atom, and hydride transfer reactions with geometric isomers of NADH-model ruthenium complexes

Cohen, BW; Polyansky, DE; Achord, P; Cabelli, D; Muckerman, JT; Tanaka, K; Thummel, RP; Zong, RF; F … 全著者表示

FARADAY DISCUSSIONS 155 129 - 144 2012年

ISSN: 1359-6640

DOI
Structural Glycomic Approaches to Molecular Recognition Events on Cell Surfaces

Kato, K

BIOCHEMICAL ROLES OF EUKARYOTIC CELL SURFACE MACROMOLECULES 749 15 - 32 2012年

ISBN: 978-1-4614-3381-1

ISSN: 0065-2598

DOI
Structural and electronic properties of bilayer and trilayer graphdiyne

Zheng, QY; Luo, GF; Liu, QH; Quhe, R; Zheng, JX; Tang, KC; Gao, ZX; Nagase, S; Lu, J

NANOSCALE 4 ( 13 ) 3990 - 3996 2012年

ISSN: 2040-3364

DOI
Structural basis for oxygen sensing and signal transduction of the heme-based sensor protein Aer2 from Pseudomonas aeruginosa

Sawai, H; Sugimoto, H; Shiro, Y; Ishikawa, H; Mizutani, Y; Aono, S

CHEMICAL COMMUNICATIONS 48 ( 52 ) 6523 - 6525 2012年

ISSN: 1359-7345

DOI
Structure and Reactivity of an Iodosylarene Adduct of a Manganese(IV)-Salen Complex

Wang, CL; Kurahashi, T; Fujii, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 31 ) 7809 - 7811 2012年

ISSN: 1433-7851

DOI
Sulfoxidation on a SiO2-supported Ru complex using O2/aldehyde system

Maity, N; Wattanakit, C; Muratsugu, S; Ishiguro, N; Yang, Y; Ohkoshi, S; Tada, M

DALTON TRANSACTIONS 41 ( 15 ) 4558 - 4565 2012年

ISSN: 1477-9226

DOI
Surface-assisted transfer hydrogenation catalysis on a γ-Al2O3-supported Ir dimer

Muratsugu, S; Weng, ZH; Nakai, H; Isobe, K; Kushida, Y; Sasaki, T; Tada, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 46 ) 16023 - 16031 2012年

ISSN: 1463-9076

DOI
Switchable Intermolecular Communication in a Four-Fold Rotaxane

Yamada, Y; Okamoto, M; Furukawa, K; Kato, T; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 3 ) 709 - 713 2012年

ISSN: 1433-7851

DOI
Synthesis and characterization of self-assembled coordination polymers of N-diaminomethylene-4-(3-formyl-4-hydroxy-phenylazo)-benzenesulfonamide

El-Ghamry, H; Sakai, K; Masaoka, S; El-Baradie, K; Issa, R

JOURNAL OF COORDINATION CHEMISTRY 65 ( 5 ) 780 - 794 2012年

ISSN: 0095-8972

DOI
Synthesis of bimetallic gold-silver alloy nanoclusters by simple mortar grinding

Murugadoss, A; Kai, N; Sakurai, H

NANOSCALE 4 ( 4 ) 1280 - 1282 2012年

ISSN: 2040-3364

DOI
Synthesis, crystal structure, spectroscopic and electrochemical properties, and H2-evolving activity of a new [PtCl(terpyridine)]+ derivative with viologen-like redox properties

Kobayashi, M; Masaoka, S; Sakai, K

DALTON TRANSACTIONS 41 ( 16 ) 4903 - 4911 2012年

ISSN: 1477-9226

DOI
Temperature and hydration dependence of low-frequency spectra of poly-L-glutamic acid with different secondary structures studied by terahertz time-domain spectroscopy

Yamamoto, N; Kambara, O; Yamamoto, K; Tamura, A; Saito, S; Tominaga, K

SOFT MATTER 8 ( 6 ) 1997 - 2006 2012年

ISSN: 1744-683X

DOI
The Active Phase of Nickel/Ordered Ce2Zr2Ox Catalysts with a Discontinuity (x=7-8) in Methane Steam Reforming

Tada, M; Zhang, SH; Malwadkar, S; Ishiguro, N; Soga, J; Nagai, Y; Tezuka, K; Imoto, H; Otsuka-Yao-M … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 37 ) 9361 - 9365 2012年

ISSN: 1433-7851

DOI
The Long-Believed Sc2@C2v(17)-C84 is Actually Sc2C2@C2v(9)-C82: Unambiguous Structure Assignment and Chemical Functionalization

Lu, X; Nakajima, K; Iiduka, Y; Nikawa, H; Tsuchiya, T; Mizorogi, N; Slanina, Z; Nagase, S; Akasaka, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 51 ( 24 ) 5889 - 5892 2012年

ISSN: 1433-7851

DOI
The effect of ligand substitution and water co-adsorption on the adsorption dynamics and energy level matching of amino-phenyl acid dyes on TiO2

Manzhos, S; Segawa, H; Yamashita, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 5 ) 1749 - 1755 2012年

ISSN: 1463-9076

DOI
Theoretical design for carrier-transporting molecules in view of vibronic couplings

Sato, T; Shizu, K; Tanaka, K; Kaji, H

JOURNAL OF PHOTONICS FOR ENERGY 2 2012年

ISSN: 1947-7988

DOI
Theoretical illumination of water-inserted structures of the CaMn4O5 cluster in the S2 and S3 states of oxygen-evolving complex of photosystem II: full geometry optimizations by B3LYP hybrid density functional

Isobe, H; Shoji, M; Yamanaka, S; Umena, Y; Kawakami, K; Kamiya, N; Shen, JR; Yamaguchi, K

DALTON TRANSACTIONS 41 ( 44 ) 13727 - 13740 2012年

ISSN: 1477-9226

DOI
Where to bind in buckybowls? The dilemma of a metal ion

Vijay, D; Sakurai, H; Subramanian, V; Sastry, GN

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14 ( 9 ) 3057 - 3065 2012年

ISSN: 1463-9076

DOI
π-Fused bis-BODIPY as a candidate for NIR dyes

Nakamura, M; Tahara, H; Takahashi, K; Nagata, T; Uoyama, H; Kuzuhara, D; Mori, S; Okujima, T; Yamad … 全著者表示

ORGANIC & BIOMOLECULAR CHEMISTRY 10 ( 34 ) 6840 - 6849 2012年

ISSN: 1477-0520

DOI
Structure and Electronic and Transport Properties of Transition Metal Intercalated Graphene and Graphene-Hexagonal-Boron-Nitride Bilayer

Zhou, J; Wang, L; Qin, R; Zheng, JX; Mei, WN; Dowben, PA; Nagase, S; Gao, ZX; Lu, J

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 51 ) 25273 - 25280 2011年12月29日

ISSN: 1932-7447

DOI
Energy relaxation of intermolecular motions in supercooled water and ice: A molecular dynamics study

Yagasaki, T; Saito, S

JOURNAL OF CHEMICAL PHYSICS 135 ( 24 ) 2011年12月28日

ISSN: 0021-9606

DOI
Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field

Liu, J; Miller, WH; Fanourgakis, GS; Xantheas, SS; Imoto, S; Saito, S

JOURNAL OF CHEMICAL PHYSICS 135 ( 24 ) 2011年12月28日

ISSN: 0021-9606

DOI
Molecular dynamics simulation of the dissolution process of a cellulose triacetate-II nano-sized crystal in DMSO

Hayakawa, D; Ueda, K; Yamane, C; Miyamoto, H; Horii, F

CARBOHYDRATE RESEARCH 346 ( 18 ) 2940 - 2947 2011年12月27日

ISSN: 0008-6215

DOI
Mechanistic Studies on the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNP Complex

Tanaka, R; Yamashita, M; Chung, LW; Morokuma, K; Nozaki, K

ORGANOMETALLICS 30 ( 24 ) 6742 - 6750 2011年12月26日

ISSN: 0276-7333

DOI
Polarized Nonresonant Raman Spectra of Graphene Nanoribbons

Luo, GF; Wang, L; Li, H; Qin, R; Zhou, J; Li, LZ; Gao, ZX; Mei, WN; Lu, J; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 50 ) 24463 - 24468 2011年12月22日

ISSN: 1932-7447

DOI
Peierls Mechanism of the Metal-Insulator Transition in Ferromagnetic Hollandite K2Cr8O16

Toriyama, T; Nakao, A; Yamaki, Y; Nakao, H; Murakami, Y; Hasegawa, K; Isobe, M; Ueda, Y; Ushakov, A … 全著者表示

PHYSICAL REVIEW LETTERS 107 ( 26 ) 2011年12月20日

ISSN: 0031-9007

DOI
Magnetic properties of σ- and hexagonal-Mn76Si18Cr6 approximant phases of a dodecagonal quasicrystal

Kashimoto, S; Kocjan, A; Jaglicic, Z; Jazbec, S; Iga, H; Ishimasa, T; Dolinsek, J

PHYSICAL REVIEW B 84 ( 22 ) 2011年12月19日

ISSN: 1098-0121

DOI
Warping effects in the band and angular-momentum structures of the topological insulator Bi2Te3

Jung, W; Kim, Y; Kim, B; Koh, Y; Kim, C; Matsunami, M; Kimura, S; Arita, M; Shimada, K; Han, JH; Ki … 全著者表示

PHYSICAL REVIEW B 84 ( 24 ) 2011年12月16日

ISSN: 1098-0121

DOI
Development of Solar Cells Based on Synthetic Near-Infrared Absorbing Purpurins: Observation of Multiple Electron Injection Pathways at Cyclic Tetrapyrrole-Semiconductor Interface

Wang, XF; Wang, L; Tamai, N; Kitao, O; Tamiaki, H; Sasaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 49 ) 24394 - 24402 2011年12月15日

ISSN: 1932-7447

DOI
Molecular double core-hole electron spectroscopy of large molecules for probing molecular size: A series of bridged trihalosilyl-trimethylsilyl molecules

Takahashi, O; Yamasaki, K; Nagaoka, S; Ueda, K

CHEMICAL PHYSICS LETTERS 518 44 - 48 2011年12月15日

ISSN: 0009-2614

DOI
Solution-Dispersible, Colloidal, Conjugated Porous Polymer Networks with Entrapped Palladium Nanocrystals for Heterogeneous Catalysis of the Suzuki-Miyaura Coupling Reaction

Zhang, P; Weng, ZH; Guo, J; Wang, CC

CHEMISTRY OF MATERIALS 23 ( 23 ) 5243 - 5249 2011年12月13日

ISSN: 0897-4756

DOI
BCS-BEC crossover in the extended Falicov-Kimball model: Variational cluster approach

Seki, K; Eder, R; Ohta, Y

PHYSICAL REVIEW B 84 ( 24 ) 2011年12月12日

ISSN: 1098-0121

DOI
Color Tuning in Photofunctional Proteins

Hasegawa, JY; Fujimoto, KJ; Nakatsuji, H

CHEMPHYSCHEM 12 ( 17 ) 3106 - 3115 2011年12月09日

ISSN: 1439-4235

DOI
Open-boundary cluster model implemented in first-principles calculations for electronic excited states of an adsorbate-surface system

Yasuike, T; Nobusada, K

PHYSICAL REVIEW B 84 ( 24 ) 2011年12月08日

ISSN: 2469-9950

DOI
Structural Elucidation and Regioselective Functionalization of An Unexplored Carbide Cluster Metallofullerene Sc2C2@Cs(6)-C82

Lu, X; Nakajima, K; Iiduka, Y; Nikawa, H; Mizorogi, N; Slanina, Z; Tsuchiya, T; Nagase, S; Akasaka, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 48 ) 19553 - 19558 2011年12月07日

ISSN: 0002-7863

DOI
Enhanced Nonlinear Double Excitation of He in Intense Extreme Ultraviolet Laser Fields

Hishikawa, A; Fushitani, M; Hikosaka, Y; Matsuda, A; Liu, CN; Morishita, T; Shigemasa, E; Nagasono, … 全著者表示

PHYSICAL REVIEW LETTERS 107 ( 24 ) 2011年12月06日

ISSN: 0031-9007

DOI
Topological transition in Bi1-xSbx studied as a function of Sb doping

Nakamura, F; Kousa, Y; Taskin, AA; Takeichi, Y; Nishide, A; Kakizaki, A; D'Angelo, M; Lefevre, P; B … 全著者表示

PHYSICAL REVIEW B 84 ( 23 ) 2011年12月06日

ISSN: 1098-0121

DOI
Synthesis of Aromatic Polyketones Bearing 1,1′-Binaphthyl-2,2′-dioxy Units through Suzuki-Miyaura Coupling Polymerization

Maeyama, K; Tsukamoto, T; Suzuki, M; Higashibayashi, S; Sakurai, H

CHEMISTRY LETTERS 40 ( 12 ) 1445 - 1446 2011年12月05日

ISSN: 0366-7022

DOI
(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers

Nakano, M; Fukui, H; Minami, T; Yoneda, K; Shigeta, Y; Kishi, R; Champagne, B; Botek, E; Kubo, T; O … 全著者表示

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 4-6 ) 711 - 724 2011年12月

ISSN: 1432-881X

DOI
Electrolytes in Biomolecular Systems Studied with the 3D-RISM/RISM Theory

Maruyama, Y; Yoshida, N; Hirata, F

INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES 3 ( 4 ) 290 - 307 2011年12月

ISSN: 1913-2751

DOI
Finite-field evaluation of static (hyper)polarizabilities based on the linear-scaling divide-and-conquer method

Touma, T; Kobayashi, M; Nakai, H

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 4-6 ) 701 - 709 2011年12月

ISSN: 1432-881X

DOI
Intradimer Charge Disproportionation in Triclinic-EtMe3P[Pd(dmit)2]2 (dmit: 1,3-Dithiole-2-thione-4,5-dithiolate)

Yamamoto, T; Nakazawa, Y; Tamura, M; Nakao, A; Ikemoto, Y; Moriwaki, T; Fukaya, A; Kato, R; Yakushi … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 80 ( 12 ) 2011年12月

ISSN: 0031-9015

DOI
Role of the Support Effects on the Catalytic Activity of Gold Clusters: A Density Functional Theory Study

Gao, M; Lyalin, A; Taketsugu, T

CATALYSTS 1 ( 1 ) 18 - 39 2011年12月

DOI
Singlet-triplet energy gap for trimethylenemethane, oxyallyl diradical, and related species: single- and multireference computational results

Saito, T; Nishihara, S; Yamanaka, S; Kitagawa, Y; Kawakami, T; Yamada, S; Isobe, H; Okumura, M; Yam … 全著者表示

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 4-6 ) 739 - 748 2011年12月

ISSN: 1432-881X

DOI
Size-Controlled Synthesis of Gold Clusters as Efficient Catalysts for Aerobic Oxidation

Tsunoyama, H; Liu, YM; Akita, T; Ichikuni, N; Sakurai, H; Xie, SH; Tsukuda, T

CATALYSIS SURVEYS FROM ASIA 15 ( 4 ) 230 - 239 2011年12月

ISSN: 1571-1013

DOI
Solubilization and folding of a fully active recombinant Gaussia luciferase with native disulfide bonds by using a SEP-Tag

Rathnayaka, T; Tawa, M; Nakamura, T; Sohya, S; Kuwajima, K; Yohda, M; Kuroda, Y

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1814 ( 12 ) 1775 - 1778 2011年12月

ISSN: 1570-9639

DOI
Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules

Saito, T; Nishihara, S; Yamanaka, S; Kitagawa, Y; Kawakami, T; Yamada, S; Isobe, H; Okumura, M; Yam … 全著者表示

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 4-6 ) 749 - 763 2011年12月

ISSN: 1432-881X

DOI
The [2+2+2] mechanisms of trimerization of three ethynes and monosilaethylenes

Sakai, S; Taketa, K

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 4-6 ) 901 - 907 2011年12月

ISSN: 1432-881X

DOI
Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions Between Graphene

Gao, XF; Jiang, DE; Zhao, YL; Nagase, S; Zhang, SB; Chen, ZF

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 8 ( 12 ) 2406 - 2422 2011年12月

ISSN: 1546-1955

DOI
Theoretical study of the excited states of the photosynthetic reaction center in photosystem II: Electronic structure, interactions, and their origin

Kitagawa, Y; Matsuda, K; Hasegawa, J

BIOPHYSICAL CHEMISTRY 159 ( 2-3 ) 227 - 236 2011年12月

ISSN: 0301-4622

DOI
Thymine on Silver Island Films: Surface-Enhanced Raman Scattering and Surface-Enhanced Infrared Absorption Studies

Guo, H; Bi, LH; Ding, L; Mo, YJ

SPECTROSCOPY AND SPECTRAL ANALYSIS 31 ( 12 ) 3273 - 3276 2011年12月

ISSN: 1000-0593

DOI
Valence state analysis of Mn and Fe ions in room-temperature ferromagnetic Mn- and Fe-codoped In2O3

Okazaki, T; Yoshioka, T; Kusakabe, Y; Yamamoto, T; Kitada, A

SOLID STATE COMMUNICATIONS 151 ( 23 ) 1749 - 1752 2011年12月

ISSN: 0038-1098

DOI
pH replica-exchange method based on discrete protonation states

Itoh, SG; Damjanovic, A; Brooks, BR

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 79 ( 12 ) 3420 - 3436 2011年12月

ISSN: 0887-3585

DOI
Ab initio study of magnetic interactions of manganese-oxide clusters

Kanda, K; Yamanaka, S; Saito, T; Kawakami, T; Kitagawa, Y; Okumura, M; Nakamura, H; Yamaguchi, K

POLYHEDRON 30 ( 18 ) 3256 - 3261 2011年11月28日

ISSN: 0277-5387

DOI
Continuous optimization methods for ground-state searches of spin clusters

Oda, A; Kawakami, T; Kitagawa, Y; Okumura, M; Takahashi, O

POLYHEDRON 30 ( 18 ) 3218 - 3223 2011年11月28日

ISSN: 0277-5387

DOI
Molecular design for high-spin molecules in view of vibronic couplings

Iwahara, N; Sato, T; Tanaka, K

POLYHEDRON 30 ( 18 ) 3048 - 3053 2011年11月28日

ISSN: 0277-5387

DOI
Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes

Lei, H; Guo, JD; Fettinger, JC; Nagase, S; Power, PP

ORGANOMETALLICS 30 ( 22 ) 6316 - 6322 2011年11月28日

ISSN: 0276-7333

DOI
Theoretical studies of d-d and d-π-d magnetic interactions in (EDT-TTFVO)2FeBr4 crystals

Takenaka, M; Kawakami, T; Ito, A; Kinoshita, K; Kitagawa, Y; Yamanaka, S; Yamaguchi, K; Okumura, M

POLYHEDRON 30 ( 18 ) 3284 - 3291 2011年11月28日

ISSN: 0277-5387

DOI
Theoretical studies of host-guest interaction in the cavity of the nanoporous [Rh2bza4pyz]n crystal

Kawakami, T; Kinoshita, K; Ito, A; Kataoka, Y; Kitagawa, Y; Yamanaka, S; Yamaguchi, K; Okumura, M

POLYHEDRON 30 ( 18 ) 3292 - 3297 2011年11月28日

ISSN: 0277-5387

DOI
Theoretical study of intra- and inter-chain magnetic interactions in [Ni(chxn)2Br]Br2

Kitagawa, Y; Nakanishi, Y; Kataoka, Y; Saito, T; Yasuda, N; Kawakami, T; Yamanaka, S; Okumura, M; Y … 全著者表示

POLYHEDRON 30 ( 18 ) 3116 - 3120 2011年11月28日

ISSN: 0277-5387

DOI
Theoretical study on singlet oxygen adsorption onto surface of graphene-like aromatic hydrocarbon molecules

Kinoshita, K; Saito, T; Ito, A; Kawakami, T; Kitagawa, Y; Yamanaka, S; Yamaguchi, K; Okumura, M

POLYHEDRON 30 ( 18 ) 3249 - 3255 2011年11月28日

ISSN: 0277-5387

DOI
A Novel Polymeric Chemosensor: Dual Colorimetric Detection of Metal Ions Through Click Synthesis

Li, YR; Ashizawa, M; Uchida, S; Michinobu, T

MACROMOLECULAR RAPID COMMUNICATIONS 32 ( 22 ) 1804 - 1808 2011年11月15日

ISSN: 1022-1336

DOI
Plasmon-induced local photocurrent changes in GaAs photovoltaic cells modified with gold nanospheres: A near-field imaging study

Harada, Y; Imura, K; Okamoto, H; Nishijima, Y; Ueno, K; Misawa, H

JOURNAL OF APPLIED PHYSICS 110 ( 10 ) 2011年11月15日

ISSN: 0021-8979

DOI
Aldoxime Dehydratase: Probing the Heme Environment Involved in the Synthesis of the Carbon-Nitrogen Triple Bond

Pinakoulaki, E; Koutsoupakis, C; Sawai, H; Pavlou, A; Kato, Y; Asano, Y; Aono, S

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 44 ) 13012 - 13018 2011年11月10日

ISSN: 1520-6106

DOI
Theoretical Molecular Double-Core-Hole Spectroscopy of Nucleobases

Takahashi, O; Tashiro, M; Ehara, M; Yamasaki, K; Ueda, K

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 44 ) 12070 - 12082 2011年11月10日

ISSN: 1089-5639

DOI
Enantioselective Synthesis of Endohedral Metallofullerenes

Sawai, K; Takano, Y; Izquierdo, M; Filippone, S; Martín, N; Slanina, Z; Mizorogi, N; Waelchli, M; T … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 44 ) 17746 - 17752 2011年11月09日

ISSN: 0002-7863

DOI
Light-Emitting Conjugated Polymers with Microporous Network Architecture: Interweaving Scaffold Promotes Electronic Conjugation, Facilitates Exciton Migration, and Improves Luminescence

Xu, YH; Chen, L; Guo, ZQ; Nagai, A; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 44 ) 17622 - 17625 2011年11月09日

ISSN: 0002-7863

DOI
Focus issue introduction: nonlinear optics

Boulanger, B; Cundiff, ST; Gauthier, DJ; Karlsson, M; Lu, YQ; Norwood, RA; Skryabin, D; Taira, T

OPTICS EXPRESS 19 ( 23 ) 23561 - 23566 2011年11月07日

ISSN: 1094-4087

DOI
Identification of boron clusters in silicon crystal by B1s core-level X-ray photoelectron spectroscopy: A first-principles study

Yamauchi, J; Yoshimoto, Y; Suwa, Y

APPLIED PHYSICS LETTERS 99 ( 19 ) 2011年11月07日

ISSN: 0003-6951

DOI
Megawatt level UV output from [110] Cr4+:YAG passively Q-switched microchip laser

Bhandari, R; Taira, T

OPTICS EXPRESS 19 ( 23 ) 22510 - 22514 2011年11月07日

ISSN: 1094-4087

DOI
Photo- and Electrochemical Redox Behavior of Cyclometalated Ru(II) Complexes Having a 3-Phenylbenzo[b][1,6]naphthyridine Ligand

Padhi, SK; Tanaka, K

INORGANIC CHEMISTRY 50 ( 21 ) 10718 - 10723 2011年11月07日

ISSN: 0020-1669

DOI
Evidence of Single-Photon Two-Site Core Double Ionization of C2H2 Molecules

Lablanquie, P; Grozdanov, TP; Zitnik, M; Carniato, S; Selles, P; Andric, L; Palaudoux, J; Penent, F … 全著者表示

PHYSICAL REVIEW LETTERS 107 ( 19 ) 2011年11月04日

ISSN: 0031-9007

DOI
Synthesis of a Novel Lithocene that has Aromatic-Like Nature with Nonaromatic Rings

Saito, M; Kuwabara, T; Ishimura, K; Nagase, S

CHEMISTRY-AN ASIAN JOURNAL 6 ( 11 ) 2907 - 2910 2011年11月04日

ISSN: 1861-4728

DOI
Study of Interfacial Charge Transfer Bands and Electron Recombination in the Surface Complexes of TCNE, TCNQ, and TCNAQ with TiO2

Manzhos, S; Jono, R; Yamashita, K; Fujisawa, J; Nagata, M; Segawa, H

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 43 ) 21487 - 21493 2011年11月03日

ISSN: 1932-7447

DOI
Observation of Free-Electron-Laser-Induced Collective Spontaneous Emission (Superfluorescence)

Nagasono, M; Harries, JR; Iwayama, H; Togashi, T; Tono, K; Yabashi, M; Senba, Y; Ohashi, H; Ishikaw … 全著者表示

PHYSICAL REVIEW LETTERS 107 ( 19 ) 2011年11月01日

ISSN: 0031-9007

DOI
Solvent penetration in photoactive yellow protein R52Q mutant: A theoretical study

Sindhikara, DJ; Yoshida, N; Kataoka, M; Hirata, F

JOURNAL OF MOLECULAR LIQUIDS 164 ( 1-2 ) 120 - 122 2011年11月01日

ISSN: 0167-7322

DOI
A New Approach for Investigating the Molecular Recognition of Protein: Toward Structure-Based Drug Design Based on the 3D-RISM Theory

Kiyota, Y; Yoshida, N; Hirata, F

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 7 ( 11 ) 3803 - 3815 2011年11月

ISSN: 1549-9618

DOI
A new BEDT-TTF-based organic metal with an anionic weak acceptor 2-sulfo-1,4-benzoquinone

Akutsu, H; Maruyama, Y; Yamada, J; Nakatsuji, S; Turner, SS

SYNTHETIC METALS 161 ( 21-22 ) 2339 - 2343 2011年11月

ISSN: 0379-6779

DOI
Bis[μ-3,5-bis(2-pyridyl)pyrazolato]bis(hydrogensulfato)dicopper(II) methanol disolvate

Mishima, A; Fuyuhiro, A; Kumagai, H; Kawata, S

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 67 M1523 - + 2011年11月

ISSN: 1600-5368

DOI
Calculations of Metallofullerene Yields

Slanina, Z; Uhlík, F; Lee, SL; Adamowicz, L; Akasaka, T; Nagase, S

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 8 ( 11 ) 2233 - 2239 2011年11月

ISSN: 1546-1955

DOI
Development of Force Field Parameters for Molecular Simulation of Polylactide

McAliley, JH; Bruce, DA

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 7 ( 11 ) 3756 - 3767 2011年11月

ISSN: 1549-9618

DOI
Pore surface engineering in covalent organic frameworks

Nagai, A; Guo, ZQ; Feng, X; Jin, SB; Chen, X; Ding, XS; Jiang, DL

NATURE COMMUNICATIONS 2 2011年11月

DOI
Structural basis for improved efficacy of therapeutic antibodies on defucosylation of their Fc glycans

Mizushima, T; Yagi, H; Takemoto, E; Shibata-Koyama, M; Isoda, Y; Iida, S; Masuda, K; Satoh, M; Kato … 全著者表示

GENES TO CELLS 16 ( 11 ) 1071 - 1080 2011年11月

ISSN: 1356-9597

DOI
Conformational Dynamics of Wild-type Lys-48-linked Diubiquitin in Solution

Hirano, T; Serve, O; Yagi-Utsumi, M; Takemoto, E; Hiromoto, T; Satoh, T; Mizushima, T; Kato, K

JOURNAL OF BIOLOGICAL CHEMISTRY 286 ( 43 ) 37496 - 37502 2011年10月28日

DOI
Relaxation mode analysis of a peptide system: Comparison with principal component analysis

Mitsutake, A; Iijima, H; Takano, H

JOURNAL OF CHEMICAL PHYSICS 135 ( 16 ) 2011年10月28日

ISSN: 0021-9606

DOI
Optical study of charge instability in CeRu2Al10 in comparison with CeOs2Al10 and CeFe2Al10

Kimura, S; Iizuka, T; Miyazaki, H; Hajiri, T; Matsunami, M; Mori, T; Irizawa, A; Muro, Y; Kajino, J … 全著者表示

PHYSICAL REVIEW B 84 ( 16 ) 2011年10月25日

ISSN: 1098-0121

DOI
Auger decay of molecular double core-hole state

Tashiro, M; Ueda, K; Ehara, M

JOURNAL OF CHEMICAL PHYSICS 135 ( 15 ) 2011年10月21日

ISSN: 0021-9606

DOI
Kinetic Asymmetry of Subunit Exchange of Homooligomeric Protein as Revealed by Deuteration-Assisted Small-Angle Neutron Scattering

Sugiyama, M; Kurimoto, E; Yagi, H; Mori, K; Fukunaga, T; Hirai, M; Zaccai, G; Kato, K

BIOPHYSICAL JOURNAL 101 ( 8 ) 2037 - 2042 2011年10月19日

ISSN: 0006-3495

DOI
Density functional theory calculations of iodine cluster anions: Structures, chemical bonding nature, and vibrational spectra

Otsuka, M; Mori, H; Kikuchi, H; Takano, K

COMPUTATIONAL AND THEORETICAL CHEMISTRY 973 ( 1-3 ) 69 - 75 2011年10月15日

ISSN: 2210-271X

DOI
Mass-analyzed velocity map imaging of doubly charged photofragments from C70

Katayanagi, H; Mitsuke, K

JOURNAL OF CHEMICAL PHYSICS 135 ( 14 ) 2011年10月14日

ISSN: 0021-9606

DOI
Double-core-hole spectroscopy for chemical analysis with an intense X-ray femtosecond laser

Berrah, N; Fang, L; Murphy, B; Osipov, T; Ueda, K; Kukk, E; Feifel, R; van der Meulen, P; Salen, P; … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 108 ( 41 ) 16912 - 16915 2011年10月11日

ISSN: 0027-8424

DOI
Interfacing 2D and 3D Topological Insulators: Bi(111) Bilayer on Bi2Te3

Hirahara, T; Bihlmayer, G; Sakamoto, Y; Yamada, M; Miyazaki, H; Kimura, S; Blügel, S; Hasegawa, S

PHYSICAL REVIEW LETTERS 107 ( 16 ) 2011年10月10日

ISSN: 0031-9007

DOI
A theoretical study of Ne3 using hyperspherical coordinates and a slow variable discretization approach

Suno, H

JOURNAL OF CHEMICAL PHYSICS 135 ( 13 ) 2011年10月07日

ISSN: 0021-9606

DOI
A theoretical study of SiCN and SiNC in the (X)over-tilde2Π electronic state based on global potential energy surfaces

Tokue, I; Nanbu, S

CHEMICAL PHYSICS LETTERS 514 ( 4-6 ) 239 - 243 2011年10月06日

ISSN: 0009-2614

DOI
Bridge-Mediated Excitation Energy Transfer Pathways through Protein Media: a Slater Determinant-Based Electronic Coupling Calculation Combined with Localized Molecular Orbitals

Kawatsu, T; Matsuda, K; Hasegawa, J

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 39 ) 10814 - 10822 2011年10月06日

ISSN: 1089-5639

DOI
Generation of energy-tunable and ultra-short-pulse gamma rays via inverse Compton scattering in an electron storage ring

Taira, Y; Adachi, M; Zen, H; Tanikawa, T; Yamamoto, N; Hosaka, M; Takashima, Y; Soda, K; Katoh, M

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 652 ( 1 ) 696 - 700 2011年10月01日

ISSN: 0168-9002

DOI
Ab Initio Molecular Dynamics of Protonated Water Clusters by Integrated Multicenter Molecular-Orbital Method

Udagawa, T; Sakai, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 32 ( 13 ) 2902 - 2908 2011年10月

ISSN: 0192-8651

DOI
A magnetic-bottle multi-electron-ion coincidence spectrometer

Matsuda, A; Fushitani, M; Tseng, CM; Hikosaka, Y; Eland, JHD; Hishikawa, A

REVIEW OF SCIENTIFIC INSTRUMENTS 82 ( 10 ) 2011年10月

ISSN: 0034-6748

DOI
A significant role of the totally symmetric valley-ridge inflection point in the bifurcating reaction pathway

Harabuchi, Y; Taketsugu, T

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 305 - 315 2011年10月

ISSN: 1432-881X

DOI
Ab initio MO and DFT study for the isomerisation of bicyclo[1.1.0]tetrasilane and the germanium analogues

Konno, Y; Kudo, T; Sakai, S

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 371 - 383 2011年10月

ISSN: 1432-881X

DOI
Adsorption of catechol on a wet silica surface: density functional theory study

Mian, SA; Gao, XF; Nagase, S; Jang, J

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 333 - 339 2011年10月

ISSN: 1432-881X

DOI
Application of resolution of identity approximation of second-order Moller-Plesset perturbation theory to three-body fragment molecular orbital method

Katouda, M

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 449 - 453 2011年10月

ISSN: 1432-881X

DOI
DFT and ONIOM study on the alkylation of the lithium enolate in solution: microsolvation cluster models for CH2=CHOLi + CH3Cl + (THF)0-6

Ando, K; Morokuma, K

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 323 - 331 2011年10月

ISSN: 1432-881X

DOI
Experimental consideration of covalent-bonding interactions in stacks of singlet biradicals having Kekule structures

Shimizu, A; Nakano, M; Hirao, Y; Kubo, T

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 24 ( 10 ) 876 - 882 2011年10月

ISSN: 0894-3230

DOI
Linear-scaling divide-and-conquer second-order Moller-Plesset perturbation calculation for open-shell systems: implementation and application

Yoshikawa, T; Kobayashi, M; Nakai, H

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 411 - 417 2011年10月

ISSN: 1432-881X

DOI
Modular reweighting software for statistical mechanical analysis of biased equilibrium data

Sindhikara, DJ

COMPUTER PHYSICS COMMUNICATIONS 182 ( 10 ) 2227 - 2231 2011年10月

ISSN: 0010-4655

DOI
Nonlinear Conduction by Melting of Stripe-Type Charge Order in Organic Conductors with Triangular Lattices

Tanaka, Y; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 80 ( 10 ) 2011年10月

ISSN: 0031-9015

DOI
Photophysical properties and vibrational structure of ladder-type penta p-phenylene and carbazole derivatives based on SAC-CI calculations

Poolmee, P; Ehara, M; Nakatsuji, H

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 161 - 173 2011年10月

ISSN: 1432-881X

DOI
Projector Monte Carlo method based on Slater determinants: a new sampling method for singlet state calculations

Ohtsuka, Y; Nagase, S

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 501 - 505 2011年10月

ISSN: 1432-881X

DOI
Theoretical study of the excited states and the redox potentials of unusually distorted β-trifluoromethylporphycene

Hasegawa, J; Matsuda, K

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 175 - 185 2011年10月

ISSN: 1432-881X

DOI
Tuning graphene nanoribbon field effect transistors via controlling doping level

Wang, L; Zheng, JX; Zhou, J; Qin, R; Li, H; Mei, WN; Nagase, S; Lu, J

THEORETICAL CHEMISTRY ACCOUNTS 130 ( 2-3 ) 483 - 489 2011年10月

ISSN: 1432-881X

DOI
Two-Level Hierarchical Parallelization of Second-Order Moller-Plesset Perturbation Calculations in Divide-and-Conquer Method

Katouda, M; Kobayashi, M; Nakai, H; Nagase, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 32 ( 13 ) 2756 - 2764 2011年10月

ISSN: 0192-8651

DOI
Characterization of an Organic Field-Effect Thin-Film Transistor in Operation Using Fluorescence-Yield X-Ray Absorption Spectroscopy

Kato, HS; Yamane, H; Kosugi, N; Kawai, M

PHYSICAL REVIEW LETTERS 107 ( 14 ) 2011年09月30日

ISSN: 0031-9007

DOI
Bond energy analysis revisited and designed toward a rigorous methodology

Nakai, H; Ohashi, H; Imamura, Y; Kikuchi, Y

JOURNAL OF CHEMICAL PHYSICS 135 ( 12 ) 2011年09月28日

ISSN: 0021-9606

DOI
2H quadrupolar Carr-Purcell-Meiboom-Gill NMR for paramagnetic solids

Iijima, T; Nishimura, K

CHEMICAL PHYSICS LETTERS 514 ( 1-3 ) 181 - 186 2011年09月27日

ISSN: 0009-2614

DOI
Packing effects in organic donor-acceptor molecular heterojunctions

Fujii, M; Yamashita, K

CHEMICAL PHYSICS LETTERS 514 ( 1-3 ) 146 - 150 2011年09月27日

ISSN: 0009-2614

DOI
> 6 MW peak power at 532 nm from passively Q-switched Nd:YAG/Cr4+:YAG microchip laser

Bhandari, R; Taira, T

OPTICS EXPRESS 19 ( 20 ) 19135 - 19141 2011年09月26日

ISSN: 1094-4087

DOI
13C NMR study of the magnetic properties of the quasi-one-dimensional conductor (TMTTF)2SbF6

Iwase, F; Sugiura, K; Furukawa, K; Nakamura, T

PHYSICAL REVIEW B 84 ( 11 ) 2011年09月26日

ISSN: 2469-9950

DOI
Doping-based control of the energetic structure of photovoltaic co-deposited films

Ishiyama, N; Kubo, M; Kaji, T; Hiramoto, M

APPLIED PHYSICS LETTERS 99 ( 13 ) 2011年09月26日

ISSN: 0003-6951

DOI
Observation of anomalous peaks in the photoelectron spectra of highly oriented pyrolytic graphite: Folding of the band due to the surface charge density wave transition

Tanaka, S; Matsunami, M; Kimura, S

PHYSICAL REVIEW B 84 ( 12 ) 2011年09月26日

ISSN: 1098-0121

DOI
Microscopic Aspects in Dicationic Ionic Liquids through the Low-Frequency Spectra by Femtosecond Raman-Induced Kerr Effect Spectroscopy

Shirota, H; Ishida, T

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 37 ) 10860 - 10870 2011年09月22日

ISSN: 1520-6106

DOI
An n-Channel Two-Dimensional Covalent Organic Framework

Ding, XS; Chen, L; Honsho, Y; Feng, X; Saenpawang, O; Guo, JD; Saeki, A; Seki, S; Irle, S; Nagase, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 37 ) 14510 - 14513 2011年09月21日

ISSN: 0002-7863

DOI
Distribution-function approach to free energy computation

Sakuraba, S; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 135 ( 11 ) 2011年09月21日

ISSN: 0021-9606

DOI
Transform and relax sampling for highly anisotropic systems: Application to protein domain motion and folding (vol 135, 045101, 2011)

Kitao, A

JOURNAL OF CHEMICAL PHYSICS 135 ( 11 ) 2011年09月21日

ISSN: 0021-9606

DOI
Direct Simulation of Excited-State Intramolecular Proton Transfer and Vibrational Coherence of 10-Hydroxybenzo[h]quinoline in Solution

Higashi, M; Saito, S

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2 ( 18 ) 2366 - 2371 2011年09月15日

ISSN: 1948-7185

DOI
Unique Structural and Electronic Features of Perferryl-Oxo Oxidant in Cytochrome P450

Isobe, H; Yamanaka, S; Okumura, M; Yamaguchi, K; Shimada, J

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 36 ) 10730 - 10738 2011年09月15日

ISSN: 1520-6106

DOI
Synthesis, Crystal Structure, and Physical Properties of Sterically Unprotected Hydrocarbon Radicals

Kubo, T; Katada, Y; Shimizu, A; Hirao, Y; Sato, K; Takui, T; Uruichi, M; Yakushi, K; Haddon, RC

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 36 ) 14240 - 14243 2011年09月14日

ISSN: 0002-7863

DOI
Energy Correlation among Three Photoelectrons Emitted in Core-Valence-Valence Triple Photoionization of Ne

Hikosaka, Y; Lablanquie, P; Penent, F; Palaudoux, J; Andric, L; Soejima, K; Shigemasa, E; Suzuki, I … 全著者表示

PHYSICAL REVIEW LETTERS 107 ( 11 ) 2011年09月09日

ISSN: 0031-9007

DOI
Dispersion energy evaluated by using locally projected occupied and excited molecular orbitals for molecular interaction

Iwata, S

JOURNAL OF CHEMICAL PHYSICS 135 ( 9 ) 2011年09月07日

ISSN: 0021-9606

DOI
Molecular Dynamics Simulation of Bombolitin II in the Dipalmitoylphosphatidylcholine Membrane Bilayer

Javkhlantugs, N; Naito, A; Ueda, K

BIOPHYSICAL JOURNAL 101 ( 5 ) 1212 - 1220 2011年09月07日

ISSN: 0006-3495

DOI
Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer

Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL PHYSICS 135 ( 9 ) 2011年09月07日

ISSN: 0021-9606

DOI
Linearity condition for orbital energies in density functional theory (II): Application to global hybrid functionals

Imamura, Y; Kobayashi, R; Nakai, H

CHEMICAL PHYSICS LETTERS 513 ( 1-3 ) 130 - 135 2011年09月06日

ISSN: 0009-2614

DOI
C-N and C-S Bond Forming Cross Coupling in Water with Amphiphilic Resin-supported Palladium Complexes

Hirai, Y; Uozumi, Y

CHEMISTRY LETTERS 40 ( 9 ) 934 - 935 2011年09月05日

ISSN: 0366-7022

DOI
Highly Active Copper-Network Catalyst for the Direct Aldol Reaction

Ohta, H; Uozumi, Y; Yamada, YMA

CHEMISTRY-AN ASIAN JOURNAL 6 ( 9 ) 2545 - 2549 2011年09月05日

ISSN: 1861-4728

DOI
Adsorbate-Localized versus Substrate-Mediated Excitation Mechanisms for Generation of Coherent Cs-Cu Stretching Vibration at Cu(111)

Watanabe, K; Matsumoto, Y; Yasuike, T; Nobusada, K

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 34 ) 9528 - 9535 2011年09月01日

ISSN: 1089-5639

DOI
Casting mold patterning for lateral capillary force migration on PDMS microchannel

Yong-Hoon, K; Urisu, T

APPLIED SURFACE SCIENCE 257 ( 22 ) 9314 - 9317 2011年09月01日

ISSN: 0169-4332

DOI
Intersystem Crossing in the 1nπ* and 1ππ* States

Baba, M

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 34 ) 9514 - 9519 2011年09月01日

ISSN: 1089-5639

DOI
Nonspectral Methods for Solving the Schrodinger Equation for Electronic and Vibrational Problems

Manzhos, S; Carrington, T ; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2 ( 17 ) 2193 - 2199 2011年09月01日

ISSN: 1948-7185

DOI
pn-homojunction formation in single fullerene films

Kubo, M; Kaji, T; Hiramoto, M

AIP ADVANCES 1 ( 3 ) 2011年09月

ISSN: 2158-3226

DOI
Computed Stabilities in Metallofullerene Series: Al@C82, Sc@C82, Y@C82, and La@C82

Slanina, Z; Uhlík, F; Lee, SL; Adamowicz, L; Akasaka, T; Nagase, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 111 ( 11 ) 2712 - 2718 2011年09月

ISSN: 0020-7608

DOI
Length Dependence of Polyglycine Conformations in Vacuum

Itoh, SG; Okumura, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 80 ( 9 ) 2011年09月

ISSN: 0031-9015

DOI
Systematic Analysis of Diguanylate Cyclases That Promote Biofilm Formation by Pseudomonas fluorescens Pf0-1

Newell, PD; Yoshioka, S; Hvorecny, KL; Monds, RD; O'Toole, GA

JOURNAL OF BACTERIOLOGY 193 ( 18 ) 4685 - 4698 2011年09月

ISSN: 0021-9193

DOI
Screw Motion Regulates Multiple Functions of T4 Phage Protein Gene Product 5 during Cell Puncturing

Nishima, W; Kanamaru, S; Arisaka, F; Kitao, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 34 ) 13571 - 13576 2011年08月31日

ISSN: 0002-7863

DOI
Stable Radical Anions Inside Fullerene Cages: Formation of Reversible Electron Transfer Systems

Tsuchiya, T; Wielopolski, M; Sakuma, N; Mizorogi, N; Akasaka, T; Kato, T; Guldi, DM; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 34 ) 13280 - 13283 2011年08月31日

ISSN: 0002-7863

DOI
Vibronic activation of molecular vibrational overtones in the infrared spectra of charge-ordered organic conductors

Yamamoto, K; Kowalska, AA; Yue, Y; Yakushi, K

PHYSICAL REVIEW B 84 ( 6 ) 2011年08月30日

ISSN: 2469-9950

DOI
Theoretical study on vibrational circular dichroism spectra of tris(acetylacetonato)metal(III) complexes: Anharmonic effects and low-lying excited states

Mori, H; Yamagishi, A; Sato, H

JOURNAL OF CHEMICAL PHYSICS 135 ( 8 ) 2011年08月28日

ISSN: 0021-9606

DOI
Atomic and electronic structures of CaCO3 surfaces

Akiyama, T; Nakamura, K; Ito, T

PHYSICAL REVIEW B 84 ( 8 ) 2011年08月25日

ISSN: 1098-0121

DOI
Theoretical Investigation of a Titanium-Aniline Complex with and without an Alkyl Chain

Iwasa, T; Horiuchi, K; Shikishirna, M; Noguchi, Y; Nagaoka, S; Nakajima, A

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 33 ) 16574 - 16582 2011年08月25日

ISSN: 1932-7447

DOI
A Study To Control Chemical Reactions Using Si:2p Core Ionization: Site-Specific Fragmentation

Nagaoka, S; Fukuzawa, H; Prümper, G; Takemoto, M; Takahashi, O; Yamaguchi, K; Kakiuchi, T; Tabayash … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 32 ) 8822 - 8831 2011年08月18日

ISSN: 1089-5639

DOI
Origin of the Enhancement of the Second Hyperpolarizabilities in Open-Shell Singlet Transition-Metal Systems with Metal-Metal Multiple Bonds

Fukui, H; Nakano, M; Shigeta, Y; Champagnes, B

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2 ( 16 ) 2063 - 2066 2011年08月18日

ISSN: 1948-7185

DOI
Ultrafast Nonradiative Decay of Electronically Excited States of Malachite Green: Ab Initio Calculations

Nakayama, A; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 32 ) 8808 - 8815 2011年08月18日

ISSN: 1089-5639

DOI
Anomalous Diffusion in Supported Lipid Bilayers Induced by Oxide Surface Nanostructures

Tero, R; Sazaki, G; Ujihara, T; Urisu, T

LANGMUIR 27 ( 16 ) 9662 - 9665 2011年08月16日

ISSN: 0743-7463

DOI
Paramagnetic Lanthanide Tagging for NMR Conformational Analyses of N-Linked Oligosaccharides

Yamamoto, S; Yamaguchi, T; Erdélyi, M; Griesinger, C; Kato, K

CHEMISTRY-A EUROPEAN JOURNAL 17 ( 34 ) 9280 - 9282 2011年08月16日

ISSN: 0947-6539

DOI
Role of O-H Bonding in Catalytic Activity of Nb2O5 During the Course of Dehydrogenation of MgH2

Hirate, H; Sawai, H; Yukawa, H; Morinaga, M

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 111 ( 10 ) 2251 - 2257 2011年08月15日

ISSN: 0020-7608

DOI
X-ray absorption near-edge structure study on positive electrodes of degraded lithium-ion battery

Shikano, M; Kobayashi, H; Koike, S; Sakaebe, H; Saito, Y; Hori, H; Kageyama, H; Tatsumi, K

JOURNAL OF POWER SOURCES 196 ( 16 ) 6881 - 6883 2011年08月15日

ISSN: 0378-7753

DOI
Excitons at the (001) surface of anatase: Spatial behavior and optical signatures

Giorgi, G; Palummo, M; Chiodo, L; Yamashita, K

PHYSICAL REVIEW B 84 ( 7 ) 2011年08月12日

ISSN: 1098-0121

DOI
Third-Order Nonlinear Optical Properties of Open-Shell Supermolecular Systems Composed of Acetylene Linked Phenalenyl Radicals

Nakano, M; Kishi, R; Yoneda, K; Inoue, Y; Inui, T; Shigeta, Y; Kubo, T; Champagne, B

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 31 ) 8767 - 8777 2011年08月11日

ISSN: 1089-5639

DOI
Synthesis and characterization of a cyclotriveratrylene-capped azaphosphatrane

Makita, Y; Furuyoshi, K; Ikeda, K; Fujita, T; Fujiwara, S; Ehara, M; Ogawa, A

TETRAHEDRON LETTERS 52 ( 32 ) 4129 - 4131 2011年08月10日

ISSN: 0040-4039

DOI
Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment

Luo, GF; Qian, XM; Liu, HB; Qin, R; Zhou, J; Li, LZ; Gao, ZX; Wang, EG; Mei, WN; Lu, J; Li, YL; Nag … 全著者表示

PHYSICAL REVIEW B 84 ( 7 ) 2011年08月08日

ISSN: 2469-9950

DOI
In-Water Dehydrative Alkylation of Ammonia and Amines with Alcohols by a Polymeric Bimetallic Catalyst

Ohta, H; Yuyama, Y; Uozumi, Y; Yamade, YMA

ORGANIC LETTERS 13 ( 15 ) 3892 - 3895 2011年08月05日

ISSN: 1523-7060

DOI
On the advantages of a rectangular matrix collocation equation for computing vibrational spectra from small basis sets

Manzhos, S; Yamashita, K; Carrington, T

CHEMICAL PHYSICS LETTERS 511 ( 4-6 ) 434 - 439 2011年08月05日

ISSN: 0009-2614

DOI
Optical study of the electronic structure and correlation effects in K0.49RhO2

Okazaki, R; Nishina, Y; Yasui, Y; Shibasaki, S; Terasaki, I

PHYSICAL REVIEW B 84 ( 7 ) 2011年08月05日

ISSN: 2469-9950

DOI
Quantum chemical study on the mechanism for the cycloreversion of anthracene-benzene and naphthalene-benzene [4+4] cycloadducts

Mori, Y; Takano, K

CHEMICAL PHYSICS LETTERS 511 ( 4-6 ) 251 - 255 2011年08月05日

ISSN: 0009-2614

DOI
The Impact of Basis Set Superposition Error on the Structure of π-π Dimers

Vijay, D; Sakurai, H; Sastry, GN

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 111 ( 9 ) 1893 - 1901 2011年08月05日

ISSN: 0020-7608

DOI
Stable Dispersions of PVP-Protected Au/Pt/Ag Trimetallic Nanoparticles as Highly Active Colloidal Catalysts for Aerobic Glucose Oxidation

Zhang, HJ; Okumura, M; Toshima, N

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 30 ) 14883 - 14891 2011年08月04日

ISSN: 1932-7447

DOI
Anharmonicity and Quantum Effects in Thermal Expansion of an Invar Alloy

Yokoyama, T; Eguchi, K

PHYSICAL REVIEW LETTERS 107 ( 6 ) 2011年08月03日

ISSN: 0031-9007

DOI
Co-evaporant Induced Crystalline Donor: Acceptor Blends in Organic Solar Cells

Kaji, T; Zhang, ML; Nakao, S; Iketaki, K; Yokoyama, K; Tang, CW; Hiramoto, M

ADVANCED MATERIALS 23 ( 29 ) 3320 - + 2011年08月02日

ISSN: 0935-9648

DOI
In situ preparation and catalytic activation of copper nanoparticles from acetylide molecules

Judai, K; Numao, S; Nishijo, J; Nishi, N

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 347 ( 1-2 ) 28 - 33 2011年08月01日

ISSN: 1381-1169

DOI
Redox Potentials of Oxoiron(IV) Porphyrin π-Cation Radical Complexes: Participation of Electron Transfer Process in Oxygenation Reactions

Takahashi, A; Kurahashi, T; Fujii, H

INORGANIC CHEMISTRY 50 ( 15 ) 6922 - 6928 2011年08月01日

ISSN: 0020-1669

DOI
Effects of Lattice and Molecular Phonons on Photoinduced Neutral-to-Ionic Transition Dynamics in Tetrathiafulvalene-p-chloranil

Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 80 ( 8 ) 2011年08月

ISSN: 0031-9015

DOI
Overexpression of a homogeneous oligosaccharide with 13C labeling by genetically engineered yeast strain

Kamiya, Y; Yamamoto, S; Chiba, Y; Jigami, Y; Kato, K

JOURNAL OF BIOMOLECULAR NMR 50 ( 4 ) 397 - 401 2011年08月

ISSN: 0925-2738

DOI
Photoexcitation-Energy-Dependent Transition Pathways from a Dimer Mott Insulator to a Metal

Yonemitsu, K; Miyashita, S; Maeshima, N

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 80 ( 8 ) 2011年08月

ISSN: 0031-9015

DOI
Stability of Carbon Incorpoated Semipolar GaN(1(1)over-bar01) Surface

Akiyama, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 50 ( 8 ) 2011年08月

ISSN: 0021-4922

DOI
Theoretical study on energy transfer from the excited C60 to molecular oxygen

Fueno, H; Takenaka, Y; Tanaka, K

OPTICS AND SPECTROSCOPY 111 ( 2 ) 248 - 256 2011年08月

ISSN: 0030-400X

DOI
Functional Characterization of Human Cyclin T1 N-Terminal Region for Human Immunodeficiency Virus-1 Tat Transcriptional Activation

Asamitsu, K; Hibi, Y; Imai, K; Victoriano, AFB; Kurimoto, E; Kato, K; Okamoto, T

JOURNAL OF MOLECULAR BIOLOGY 410 ( 5 ) 887 - 895 2011年07月29日

ISSN: 0022-2836

DOI
Excited-state geometries and vibrational frequencies studied using the analytical energy gradients of the direct symmetry-adapted cluster-configuration interaction method. I. HAX-type molecules

Ehara, M; Oyagi, F; Abe, Y; Fukuda, R; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 135 ( 4 ) 2011年07月28日

ISSN: 0021-9606

DOI
Ferromagnetic interlayer coupling in C60-Co compound/Ni bilayer structure

Matsumoto, Y; Sakai, S; Entani, S; Takagi, Y; Nakagawa, T; Naramoto, H; Avramov, P; Yokoyama, T

CHEMICAL PHYSICS LETTERS 511 ( 1-3 ) 68 - 72 2011年07月26日

ISSN: 0009-2614

DOI
Highly Efficient Activation of Molecular Oxygen with Nanoporous Metalloporphyrin Frameworks in Heterogeneous Systems

Chen, L; Yang, Y; Guo, ZQ; Jiang, DL

ADVANCED MATERIALS 23 ( 28 ) 3149 - + 2011年07月26日

ISSN: 0935-9648

DOI
Possible mechanisms for the O-O bond formation in oxygen evolution reaction at the CaMn4O5(H2O)4 cluster of PSII refined to 1.9 Å X-ray resolution

Yamanaka, S; Isobe, H; Kanda, K; Saito, T; Umena, Y; Kawakami, K; Shen, JR; Kamiya, N; Okumura, M; … 全著者表示

CHEMICAL PHYSICS LETTERS 511 ( 1-3 ) 138 - 145 2011年07月26日

ISSN: 0009-2614

DOI
Solvent distributions, solvent orientations and specific hydration regions around 1-adamantyl chloride and adamantane in aqueous solution

Ohisa, M; Aida, M

CHEMICAL PHYSICS LETTERS 511 ( 1-3 ) 62 - 67 2011年07月26日

ISSN: 0009-2614

DOI
Nonempirically Tuned Long-Range Corrected Density Functional Theory Study on Local and Charge-Transfer Excitation Energies in a Pentacene/C60 Model Complex

Minami, T; Nakano, M; Castet, F

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2 ( 14 ) 1725 - 1730 2011年07月21日

ISSN: 1948-7185

DOI
Site-specific intermolecular interaction in α-phase crystalline films of phthalocyanines studied by soft x-ray emission spectroscopy

Yamane, H; Hatsui, T; Iketaki, K; Kaji, T; Hiramoto, M; Kosugi, N

JOURNAL OF CHEMICAL PHYSICS 135 ( 3 ) 2011年07月21日

ISSN: 0021-9606

DOI
Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene

Lu, X; Lian, YF; Beavers, CM; Mizorogi, N; Slanina, Z; Nagase, S; Akasaka, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 28 ) 10772 - 10775 2011年07月20日

ISSN: 0002-7863

DOI
4f-in-core model core potentials for trivalent lanthanides

Fujiwara, T; Mori, H; Mochizuki, Y; Osanai, Y; Miyoshi, E

CHEMICAL PHYSICS LETTERS 510 ( 4-6 ) 261 - 266 2011年07月15日

ISSN: 0009-2614

DOI
Density Functional Theory Studies on Chemical Functionalization of Single-Walled Carbon Nanotubes by Bingel Reaction

Umeyama, T; Fueno, H; Kawabata, E; Kobayashi, Y; Tanaka, K; Tezuka, N; Matano, Y; Imahori, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 84 ( 7 ) 748 - 753 2011年07月15日

ISSN: 0009-2673

DOI
Photoexcitation and electron injection processes in azo dyes adsorbed on nanocrystalline TiO2 films

Nakajima, K; Ohta, K; Katayanagi, H; Mitsuke, K

CHEMICAL PHYSICS LETTERS 510 ( 4-6 ) 228 - 233 2011年07月15日

ISSN: 0009-2614

DOI
Exploring the Folding Free Energy Landscape of a β-Hairpin Miniprotein, Chignolin, Using Multiscale Free Energy Landscape Calculation Method

Harada, R; Kitao, A

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 27 ) 8806 - 8812 2011年07月14日

ISSN: 1520-6106

DOI
Isomerization reaction between linear AlNC and AlCN including the (X)over-tilde 1Σ+ and (A)over-tilde 1Π states studied by three-dimensional wave packet propagation

Tokue, I; Nanbu, S

JOURNAL OF CHEMICAL PHYSICS 135 ( 2 ) 2011年07月14日

ISSN: 0021-9606

DOI
Rigorous non-Born-Oppenheimer theory: Combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory

Hoshino, M; Nishizawa, H; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 135 ( 2 ) 2011年07月14日

ISSN: 0021-9606

DOI
Dissecting a Bimolecular Process of MgATP2- Binding to the Chaperonin GroEL

Chen, J; Makabe, K; Nakamura, T; Inobe, T; Kuwajima, K

JOURNAL OF MOLECULAR BIOLOGY 410 ( 2 ) 343 - 356 2011年07月08日

ISSN: 0022-2836

DOI
A quantum chemical study on the polycondensation reaction of polyesters: The mechanism of catalysis in the polycondensation reaction

Shigemoto, I; Kawakami, T; Taiko, H; Okumura, M

POLYMER 52 ( 15 ) 3443 - 3450 2011年07月07日

ISSN: 0032-3861

DOI
Clustering and Octet Rule Violation Impact on Band Gap Bowing: Ab Initio Calculation of the Electronic Properties of (GaAs)1-x(Ge2)x Alloys

Kawai, H; Giorgi, G; Yamashita, K

CHEMISTRY LETTERS 40 ( 7 ) 770 - 772 2011年07月05日

ISSN: 0366-7022

DOI
Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene

Gao, XF; Hodgson, JL; Jiang, DE; Zhang, SB; Nagase, S; Miller, GP; Chen, ZF

ORGANIC LETTERS 13 ( 13 ) 3316 - 3319 2011年07月01日

ISSN: 1523-7060

DOI
A highly sensitive electron momentum spectrometer incorporating a multiparticle imaging detector

Yamazaki, M; Satoh, H; Ueda, M; Jones, DB; Asano, Y; Watanabe, N; Czasch, A; Jagutzki, O; Takahashi … 全著者表示

MEASUREMENT SCIENCE AND TECHNOLOGY 22 ( 7 ) 2011年07月

ISSN: 0957-0233

DOI
Construction and Structural Analysis of Tethered Lipid Bilayer Containing Photosynthetic Antenna Proteins for Functional Analysis

Sumino, A; Dewa, T; Takeuchi, T; Sugiura, R; Sasaki, N; Misawa, N; Tero, R; Urisu, T; Gardiner, AT; … 全著者表示

BIOMACROMOLECULES 12 ( 7 ) 2850 - 2858 2011年07月

ISSN: 1525-7797

DOI
Energy expression of the chemical bond between atoms in metal oxides

Shinzato, Y; Saito, Y; Yoshino, M; Yukawa, H; Morinaga, M; Baba, T; Nakai, H

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 72 ( 7 ) 853 - 861 2011年07月

ISSN: 0022-3697

DOI
Functionality Mapping on Internal Surfaces of Multidrug Transporter AcrB Based on Molecular Theory of Solvation: Implications for Drug Efflux Pathway

Imai, T; Miyashita, N; Sugita, Y; Kovalenko, A; Hirata, F; Kideras, A

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 25 ) 8288 - 8295 2011年06月30日

ISSN: 1520-6106

DOI
Gd2@C79N: Isolation, Characterization, and Monoadduct Formation of a Very Stable Heterofullerene with a Magnetic Spin State of S=15/2

Fu, WJ; Zhang, JY; Fuhrer, T; Champion, H; Furukawa, K; Kato, T; Mahaney, JE; Burke, BG; Williams, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 25 ) 9741 - 9750 2011年06月29日

ISSN: 0002-7863

DOI
Spin gap of the three-leg S=3/2 Heisenberg tube

Nishimoto, S; Fuji, Y; Ohta, Y

PHYSICAL REVIEW B 83 ( 22 ) 2011年06月28日

ISSN: 1098-0121

DOI
Spatial distribution of enhanced optical fields in monolayered assemblies of metal nanoparticles: Effects of interparticle coupling

Okamoto, H; Imura, K; Shimada, T; Kitajima, M

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 221 ( 2-3 ) 154 - 159 2011年06月25日

ISSN: 1010-6030

DOI
Back bombardment for dispenser and lanthanum hexaboride cathodes

Bakr, M; Kinjo, R; Choi, YW; Omer, M; Yoshida, K; Ueda, S; Takasaki, M; Ishida, K; Kimura, N; Sonob … 全著者表示

PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS 14 ( 6 ) 2011年06月22日

ISSN: 1098-4402

DOI
Ferromagnetic Spin Coupling between Endohedral Metallofullerene La@C82 and a Cyclodimeric Copper Porphyrin upon Inclusion

Hajjaj, F; Tashiro, K; Nikawa, H; Mizorogi, N; Akasaka, T; Nagase, S; Furukawa, K; Kato, T; Aida, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 24 ) 9290 - 9292 2011年06月22日

ISSN: 0002-7863

DOI
Open-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene Units

Yoneda, K; Nakano, M; Fukui, H; Minami, T; Shigeta, Y; Kubo, T; Botek, E; Champagne, B

CHEMPHYSCHEM 12 ( 9 ) 1697 - 1707 2011年06月20日

ISSN: 1439-4235

DOI
Proton-Induced Dynamic Equilibrium between Cyclometalated Ruthenium rNHC (Remote N-Heterocyclic Carbene) Tautomers with an NAD+/NADH Function

Padhi, SK; Kobayashi, K; Masuno, S; Tanaka, K

INORGANIC CHEMISTRY 50 ( 12 ) 5321 - 5323 2011年06月20日

ISSN: 0020-1669

DOI
Dimeric and Trimeric Tetrathiafulvalenes with Strong Intramolecular Interactions in the Oxidized States

Nakamura, K; Takashima, T; Shirahata, T; Hino, S; Hasegawa, M; Mazaki, Y; Misaki, Y

ORGANIC LETTERS 13 ( 12 ) 3122 - 3125 2011年06月17日

ISSN: 1523-7060

DOI
Theoretical spectroscopy on K-2, K-1L-1, and L-2 double core hole states of SiX4 (X = H, F, Cl, and CH3) molecules

Takahashi, O; Tashiro, M; Ehara, M; Yamasaki, K; Ueda, K

CHEMICAL PHYSICS 384 ( 1-3 ) 28 - 35 2011年06月16日

ISSN: 0301-0104

DOI
Slow dynamics, dynamic heterogeneities, and fragility of supercooled liquids confined in random media

Kim, K; Miyazaki, K; Saito, S

JOURNAL OF PHYSICS-CONDENSED MATTER 23 ( 23 ) 2011年06月15日

ISSN: 0953-8984

DOI
Unveiling the nonadiabatic rotational excitation process in a symmetric-top molecule induced by two intense laser pulses

Baek, D; Hasegawa, H; Ohshima, Y

JOURNAL OF CHEMICAL PHYSICS 134 ( 22 ) 2011年06月14日

ISSN: 0021-9606

DOI
Potential Energy Curve for Ring-Opening Reactions: Comparison Between Broken-Symmetry and Multireference Coupled Cluster Methods

Saito, T; Yasuda, N; Kataoka, Y; Nakanishi, Y; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M; Y … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 22 ) 5625 - 5631 2011年06月09日

ISSN: 1089-5639

DOI
Symmetry and vibrationally resolved absorption spectra near the N K edges of N2O: Experiment and theory

Ehara, M; Horikawa, T; Fukuda, R; Nakatsuji, H; Tanaka, T; Kato, H; Hoshino, M; Tanaka, H; Feifel, … 全著者表示

PHYSICAL REVIEW A 83 ( 6 ) 2011年06月08日

ISSN: 1050-2947

DOI
One-Electron Oxidation of Electronically Diverse Manganese(III) and Nickel(II) Salen Complexes: Transition from Localized to Delocalized Mixed-Valence Ligand Radicals

Kurahashi, T; Fujii, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 21 ) 8307 - 8316 2011年06月01日

ISSN: 0002-7863

DOI
Selective and Random Syntheses of [n]Cycloparaphenylenes (n=8-13) and Size Dependence of Their Electronic Properties

Iwamoto, T; Watanabe, Y; Sakamoto, Y; Suzuki, T; Yamago, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 21 ) 8354 - 8361 2011年06月01日

ISSN: 0002-7863

DOI
Detailed chemical kinetic mechanisms of ethyl methyl, methyl tert-butyl and ethyl tert-butyl ethers: The importance of uni-molecular elimination reactions

Yasunaga, K; Simmie, JM; Curran, HJ; Koike, T; Takahashi, O; Kuraguchi, Y; Hidaka, Y

COMBUSTION AND FLAME 158 ( 6 ) 1032 - 1036 2011年06月

ISSN: 0010-2180

DOI
Functionalization of Atomically Flat, Hydrogen Terminated, 1 x 1 and 2 x 1 (100) Silicon Surfaces via Reaction with 1-Alkyne: A DFT Study

Belanzoni, P; Giorgi, G; Yamashita, K

SCIENCE OF ADVANCED MATERIALS 3 ( 3 ) 436 - 443 2011年06月

ISSN: 1947-2935

DOI
Stress Analysis of Silicon Nanosheets with Nanotechnological Functionalization

Giorgi, G; Yamashita, K

SCIENCE OF ADVANCED MATERIALS 3 ( 3 ) 455 - 465 2011年06月

ISSN: 1947-2935

DOI
Self-energy and Fermi surface of the two-dimensional Hubbard model

Eder, R; Seki, K; Ohta, Y

PHYSICAL REVIEW B 83 ( 20 ) 2011年05月31日

ISSN: 2469-9950

DOI
Photodissociation investigation of doubly charged ethanol clusters induced by inner-shell electron ionization

Tamenori, Y; Okada, K; Tabayashi, K; Hiraya, A; Gejo, T; Honma, K

JOURNAL OF CHEMICAL PHYSICS 134 ( 20 ) 2011年05月28日

ISSN: 0021-9606

DOI
Coordinatively unsaturated cobalt ion in Co+(H2O)n (n=4-6) probed with infrared photodissociation spectroscopy

Furukawa, K; Ohashi, K; Koga, N; Imamura, T; Judai, K; Nishi, N; Sekiya, H

CHEMICAL PHYSICS LETTERS 508 ( 4-6 ) 202 - 206 2011年05月27日

ISSN: 0009-2614

DOI
Intermolecular Electron Density Modulations in Water and Their Effects on the Far-Infrared Spectral Profiles at 6 THz

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 20 ) 6636 - 6643 2011年05月26日

ISSN: 1520-6106

DOI
Gold- and gold-palladium/poly(1-vinylpyrrolidin-2-one) nanoclusters as quasi-homogeneous catalyst for aerobic oxidation of glycerol

Salprima, YS; Dhital, RN; Sakurai, H

TETRAHEDRON LETTERS 52 ( 21 ) 2633 - 2637 2011年05月25日

ISSN: 0040-4039

DOI
Mott transition and ferrimagnetism in the Hubbard model on the anisotropic kagome lattice

Yamada, A; Seki, K; Eder, R; Ohta, Y

PHYSICAL REVIEW B 83 ( 19 ) 2011年05月23日

ISSN: 1098-0121

DOI
Changes in the Electronic Structures of a Single Sheet of Sashlike Polydiacetylene Atomic Sash upon Structural Transformations

Suhara, M; Ozaki, H; Endo, O; Ishida, T; Katagiri, H; Egawa, T; Katouda, M

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 19 ) 9518 - 9525 2011年05月19日

ISSN: 1932-7447

DOI
Theoretical Study of the Surface Complex between TiO2 and TCNQ Showing Interfacial Charge-Transfer Transitions

Jono, R; Fujisawa, J; Segawa, H; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2 ( 10 ) 1167 - 1170 2011年05月19日

ISSN: 1948-7185

DOI
A dual-level approach to four-component relativistic density-functional theory

Mizukami, W; Nakajima, T; Hirao, K; Yanai, T

CHEMICAL PHYSICS LETTERS 508 ( 1-3 ) 177 - 181 2011年05月18日

ISSN: 0009-2614

DOI
Chemical-intuition based LMO transformation simplifies excited-state wave functions of peptides

Hasegawa, J; Kawatsu, T; Toyota, K; Matsuda, K

CHEMICAL PHYSICS LETTERS 508 ( 1-3 ) 171 - 176 2011年05月18日

ISSN: 0009-2614

DOI
Structural investigation of the spin-singlet phase in (TMTTF)2I

Furukawa, K; Sugiura, K; Iwase, F; Nakamura, T

PHYSICAL REVIEW B 83 ( 18 ) 2011年05月18日

ISSN: 2469-9950

DOI
Synthesis and Charge-Transfer Chemistry of La2@Ih-C80/Sc3N@Ih-C80Zinc-Porphyrin Conjugates: Impact of Endohedral Cluster

Feng, L; Radhakrishnan, SG; Mizorogi, N; Slanina, Z; Nikawa, H; Tsuchiya, T; Akasaka, T; Nagase, S; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 19 ) 7608 - 7618 2011年05月18日

ISSN: 0002-7863

DOI
On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [Pt2II/III(n-PenCS2)4I]∞

Mitsumi, M; Yamashita, T; Aiga, Y; Toriumi, K; Kitagawa, H; Mitani, T; Kurmoo, M

INORGANIC CHEMISTRY 50 ( 10 ) 4368 - 4377 2011年05月16日

ISSN: 0020-1669

DOI
Red/Near-Infrared Light-Emitting Organic-Inorganic Hybrids Doped with Covalently Bound Boron Dipyrromethene (BODIPY) Dyes via Microwave-Assisted One-Pot Process

Kajiwara, Y; Nagai, A; Chujo, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 84 ( 5 ) 471 - 481 2011年05月15日

ISSN: 0009-2673

DOI
Theoretical Design of Hexacoordinate Hypervalent Carbon Compounds by Analyzing Substituent Effects

Nakai, H; Okoshi, M; Atsumi, T; Kikuchi, Y; Akiba, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 84 ( 5 ) 505 - 510 2011年05月15日

ISSN: 0009-2673

DOI
Thermochromism and Magnetic Susceptibility of Copper(II) Anthracene-9-carboxylate

Kyuzou, M; Maeda, A; Wada, M; Watanabe, S; Takei, T; Ohmura, T; Kowaguchi, Y; Mori, W; Tanaka, J

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 84 ( 5 ) 491 - 495 2011年05月15日

ISSN: 0009-2673

DOI
A novel method for analyzing energy relaxation in condensed phases using nonequilibrium molecular dynamics simulations: Application to the energy relaxation of intermolecular motions in liquid water

Yagasaki, T; Saito, S

JOURNAL OF CHEMICAL PHYSICS 134 ( 18 ) 2011年05月14日

ISSN: 0021-9606

DOI
A Polarizable Water Model for Intramolecular and Intermolecular Vibrational Spectroscopies

Hasegawa, T; Tanimura, Y

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 18 ) 5545 - 5553 2011年05月12日

ISSN: 1520-6106

DOI
Magnetic Field Effect on Chemical Wave Propagation from the Belousov-Zhabotinsky Reaction

Nishikiori, R; Morimoto, S; Fujiwara, Y; Katsuki, A; Morgunov, R; Tanimoto, Y

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 18 ) 4592 - 4597 2011年05月12日

ISSN: 1089-5639

DOI
Multimode Resonant Auger Scattering from the Ethene Molecule

Liu, JC; Nicolas, C; Sun, YP; Flammini, R; O'Keeffe, P; Avaldi, L; Morin, P; Kimberg, V; Kosugi, N; … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 18 ) 5103 - 5112 2011年05月12日

ISSN: 1520-6106

DOI
Theoretical Study on the Interactions between Black Dye and Iodide in Dye-Sensitized Solar Cells

Kusama, H; Sugihara, H; Sayama, K

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 18 ) 9267 - 9275 2011年05月12日

ISSN: 1932-7447

DOI
Isolation of Planar Four-Membered Aromatic Systems by Using Confined Spaces of Cobalt Pentaaryl[60]fullerene Complexes

Maruyama, M; Guo, JD; Nagase, S; Nakamura, E; Matsuo, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 18 ) 6890 - 6893 2011年05月11日

ISSN: 0002-7863

DOI
Regioselective Bis-functionalization of Endohedral Dimetallofullerene, La2@C80: Extremal La-La Distance

Ishitsuka, MO; Sano, S; Enoki, H; Sato, S; Nikawa, H; Tsuchiya, T; Slanina, Z; Mizorogi, N; Liu, MT … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 18 ) 7128 - 7134 2011年05月11日

ISSN: 0002-7863

DOI
Composite, all-ceramics, high-peak power Nd:YAG/Cr4+:YAG monolithic micro-laser with multiple-beam output for engine ignition

Pavel, N; Tsunekane, M; Taira, T

OPTICS EXPRESS 19 ( 10 ) 9378 - 9384 2011年05月09日

ISSN: 1094-4087

DOI
Time-resolved EUV photoelectron spectroscopy of dissociating I2 by laser harmonics at 80 nm

Fushitani, M; Matsuda, A; Hishikawa, A

OPTICS EXPRESS 19 ( 10 ) 9600 - 9606 2011年05月09日

ISSN: 1094-4087

DOI
Synthesis and Racemization Process of Chiral Carbon Nanorings: A Step toward the Chemical Synthesis of Chiral Carbon Nanotubes

Omachi, H; Segawa, Y; Itami, K

ORGANIC LETTERS 13 ( 9 ) 2480 - 2483 2011年05月06日

ISSN: 1523-7060

DOI
Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor-Acceptor Substitution

Nakano, M; Minami, T; Yoneda, K; Muhammad, S; Kishi, R; Shigeta, Y; Kubo, T; Rougier, L; Champagne, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2 ( 9 ) 1094 - 1098 2011年05月05日

ISSN: 1948-7185

DOI
Novel Molecular Conductors Based on Cyclopenteno-TTP Showing Strong Self-aggregation

Nishiwaki, M; Nakamura, K; Shirahata, T; Misaki, Y

CHEMISTRY LETTERS 40 ( 5 ) 452 - 454 2011年05月05日

ISSN: 0366-7022

DOI
Chitosan-stabilized gold, gold-palladium, and gold-platinum nanoclusters as efficient catalysts for aerobic oxidation of alcohols

Murugadoss, A; Sakurai, H

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 341 ( 1-2 ) 1 - 6 2011年05月03日

ISSN: 1381-1169

DOI
Quasi-one-dimensional electronic structure of hollandite ruthenate K2Ru8O16

Toriyama, T; Watanabe, M; Konishi, T; Ohta, Y

PHYSICAL REVIEW B 83 ( 19 ) 2011年05月02日

ISSN: 1098-0121

DOI
Feasibility study of ultra-short gamma ray pulse generation by laser Compton scattering in an electron storage ring

Taira, Y; Adachi, M; Zen, H; Tanikawa, T; Hosaka, M; Takashima, Y; Yamamoto, N; Soda, K; Katoh, M

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 637 S116 - S119 2011年05月01日

ISSN: 0168-9002

DOI
Supermolecular structure of cellulose/amylose blends prepared from aqueous NaOH solutions and effects of amylose on structural formation of cellulose from its solution

Miyamoto, H; Ago, M; Yamane, C; Seguchi, M; Ueda, K; Okajima, K

CARBOHYDRATE RESEARCH 346 ( 6 ) 807 - 814 2011年05月01日

ISSN: 0008-6215

DOI
Ultra-short coherent terahertz radiation from ultra-short dips in electron bunches circulating in a storage ring

Yamamoto, N; Shimada, M; Adachi, M; Zen, H; Tanikawa, T; Taira, Y; Kimura, S; Hosaka, M; Takashima, … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 637 S112 - S115 2011年05月01日

ISSN: 0168-9002

DOI
Aerobic Oxidation of Cyclic Amines to Lactams Catalyzed by PVP-Stabilized Nanogold

Preedasuriyachai, P; Chavasiri, W; Sakurai, H

SYNLETT ( 8 ) 1121 - 1124 2011年05月

ISSN: 0936-5214

DOI
Increased light outcoupling efficiency in dye-doped small molecule organic light-emitting diodes with horizontally oriented emitters

Frischeisen, J; Yokoyama, D; Endo, A; Adachi, C; Brütting, W

ORGANIC ELECTRONICS 12 ( 5 ) 809 - 817 2011年05月

ISSN: 1566-1199

DOI
Protein Structure Predictions by Parallel Simulated Annealing Molecular Dynamics Using Genetic Crossover

Sakae, Y; Hiroyasu, T; Miki, M; Okamoto, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 32 ( 7 ) 1353 - 1360 2011年05月

ISSN: 0192-8651

DOI
Quantum Oscillations of Thermoelectric Effects in a Pseudo-one-dimensional Electron Gas With a Spin-Orbit Interaction

Nakamura, H; Hatano, N; Shirasaki, R; Hirayama, N; Yonemitsu, K

JOURNAL OF ELECTRONIC MATERIALS 40 ( 5 ) 601 - 605 2011年05月

ISSN: 0361-5235

DOI
Strong-laser-induced quantum interference

Goto, H; Katsuki, H; Ibrahim, H; Chiba, H; Ohmori, K

NATURE PHYSICS 7 ( 5 ) 383 - 385 2011年05月

ISSN: 1745-2473

DOI
Temperature Distribution in Two-Dimensional Electron Gases under a Strong Magnetic Field

Hirayama, N; Endo, A; Fujita, K; Hasegawa, Y; Hatano, N; Nakamura, H; Shirasaki, R; Yonemitsu, K

JOURNAL OF ELECTRONIC MATERIALS 40 ( 5 ) 529 - 532 2011年05月

ISSN: 0361-5235

DOI
Theoretical Investigation of Effect of Side Facets on Adsorption-Desorption Behaviors of In and P Atoms at Top Layers in InP Nanowires

Yamashita, T; Akiyama, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 50 ( 5 ) 2011年05月

ISSN: 0021-4922

DOI
Vibronic interactions in hole-transporting molecules: An interplay with electron-hole interactions

Sato, T; Shizu, K; Uegaito, K; Iwahara, N; Tanaka, K; Kaji, H

CHEMICAL PHYSICS LETTERS 507 ( 1-3 ) 151 - 156 2011年04月29日

ISSN: 0009-2614

DOI
A Theoretical Study of the Physicochemical Mechanisms Associated with DNA Recognition Modulation in Artificial Zinc-Finger Proteins

Mori, H; Ueno-Noto, K

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 16 ) 4774 - 4780 2011年04月28日

ISSN: 1520-6106

DOI
Energetic Origin of Proton Affinity to the Air/Water Interface

Takahashi, H; Maruyama, K; Karino, Y; Morita, A; Nakano, M; Jungwirth, P; Matubayasi, N

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 16 ) 4745 - 4751 2011年04月28日

ISSN: 1520-6106

DOI
Theoretical Study of the Interstitial Oxygen Atom in Anatase and Rutile TiO2: Electron Trapping and Elongation of the r(O-O) Bond

Kamisaka, H; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 16 ) 8265 - 8273 2011年04月28日

ISSN: 1932-7447

DOI
Ultrafast Dynamics in 1-Butyl-3-methylimidazolium-Based Ionic Liquids: A Femtosecond Raman-Induced Kerr Effect Spectroscopic Study

Fukazawa, H; Ishida, T; Shirota, H

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 16 ) 4621 - 4631 2011年04月28日

ISSN: 1520-6106

DOI
Molecular Stacking Induced by Intermolecular C-H•••N Hydrogen Bonds Leading to High Carrier Mobility in Vacuum-Deposited Organic Films

Yokoyama, D; Sasabe, H; Furukawa, Y; Adachi, C; Kido, J

ADVANCED FUNCTIONAL MATERIALS 21 ( 8 ) 1375 - 1382 2011年04月22日

ISSN: 1616-301X

DOI
Theory of the waterfall phenomenon in cuprate superconductors

Katagiri, D; Seki, K; Eder, R; Ohta, Y

PHYSICAL REVIEW B 83 ( 16 ) 2011年04月22日

ISSN: 1098-0121

DOI
Phase transition in porous electrodes

Kiyohara, K; Sugino, T; Asaka, K

JOURNAL OF CHEMICAL PHYSICS 134 ( 15 ) 2011年04月21日

ISSN: 0021-9606

DOI
Quantum Master Equation Method Based on the Broken-Symmetry Time-Dependent Density Functional Theory: Application to Dynamic Polarizability of Open-Shell Molecular Systems

Kishi, R; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 15 ) 3565 - 3575 2011年04月21日

ISSN: 1089-5639

DOI
Surface reconstruction of ultrathin silicon nanosheets

Morishita, T; Spencer, MJS; Russo, SP; Snook, IK; Mikami, M

CHEMICAL PHYSICS LETTERS 506 ( 4-6 ) 221 - 225 2011年04月20日

ISSN: 0009-2614

DOI
Weak Ferromagnetism and Strong Spin-Spin Interaction Mediated by the Mixed-Valence Ethynyltetrathiafulvalene-Type Ligand

Nishijo, J; Judai, K; Nishi, N

INORGANIC CHEMISTRY 50 ( 8 ) 3464 - 3470 2011年04月18日

ISSN: 0020-1669

DOI
7-Azabicyclo[2.2.1]heptane as a structural motif to block mutagenicity of nitrosamines

Ohwada, T; Ishikawa, S; Mine, Y; Inami, K; Yanagimoto, T; Karaki, F; Kabasawa, Y; Otani, Y; Mochizu … 全著者表示

BIOORGANIC & MEDICINAL CHEMISTRY 19 ( 8 ) 2726 - 2741 2011年04月15日

ISSN: 0968-0896

DOI
Electron Conductivity in Modified Models of Artificial Metal-DNA Using Green's Function-Based Elastic Scattering Theory

Nakanishi, Y; Matsui, T; Kitagawa, Y; Shigeta, Y; Saito, T; Kataoka, Y; Kawakami, T; Okumura, M; Ya … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 84 ( 4 ) 366 - 375 2011年04月15日

ISSN: 0009-2673

DOI
Reaction mechanism of di-π-methane rearrangement of 4-phenyl-4H-pyran: A CASSCF/MRMP2 study

Mori, Y; Takano, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 219 ( 2-3 ) 278 - 284 2011年04月15日

ISSN: 1010-6030

DOI
Decay pathways after Xe 3d inner shell ionization using a multi-electron coincidence technique

Suzuki, IH; Hikosaka, Y; Shigemasa, E; Lablanquie, P; Penent, F; Soejima, K; Nakano, M; Kouchi, N; … 全著者表示

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 44 ( 7 ) 2011年04月14日

ISSN: 0953-4075

DOI
Nanoscale Two-Photon Induced Polymerization of Diacetylene Langmuir-Blodgett Film by Near-Field Photoirradiation

Sakamoto, A; Mori, K; Imura, K; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 14 ) 6190 - 6194 2011年04月14日

ISSN: 1932-7447

DOI
Ultrafast Relaxation Dynamics of Rod-Shaped 25-Atom Gold Nanoclusters

Sfeir, MY; Qian, HF; Nobusada, K; Jin, R

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 14 ) 6200 - 6207 2011年04月14日

ISSN: 1932-7447

DOI
Labile electronic and spin states of the CaMn4O5 cluster in the PSII system refined to the 1.9 Å X-ray resolution. UB3LYP computational results

Kanda, K; Yamanaka, S; Saito, T; Umena, Y; Kawakami, K; Shen, JR; Kamiya, N; Okumura, M; Nakamura, … 全著者表示

CHEMICAL PHYSICS LETTERS 506 ( 1-3 ) 98 - 103 2011年04月11日

ISSN: 0009-2614

DOI
Core-Shell Phase Separation and Structural Transformation of Pt3Sn Alloy Nanoparticles Supported on γ-Al2O3 in the Reduction and Oxidation Processes Characterized by In Situ Time-Resolved XAFS

Uemura, Y; Inada, Y; Bando, KK; Sasaki, T; Kamiuchi, N; Eguchi, K; Yagishita, A; Nomura, M; Tada, M … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 13 ) 5823 - 5833 2011年04月07日

ISSN: 1932-7447

DOI
Incommensurate Crystalline phase of n-Alkane Monolayers on Graphite (0001)

Endo, O; Horikoshi, T; Katsumata, N; Otani, K; Fujishima, T; Goto, H; Minami, K; Akaike, K; Ozaki, … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 13 ) 5720 - 5725 2011年04月07日

ISSN: 1932-7447

DOI
Theoretical Studies on Proton Transfer among a High Density of Acid Groups: Surface of Zirconium Phosphate with Adsorbed Water Molecules

Ogawa, T; Ushiyama, H; Lee, JM; Yamaguchi, T; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 13 ) 5599 - 5606 2011年04月07日

ISSN: 1932-7447

DOI
Adsorption of 4-mercaptopyridine onto laser-ablated gold, silver and copper oxide films: A comparative surface-enhanced Raman scattering investigation

Guo, H; Ding, L; Mo, YJ

JOURNAL OF MOLECULAR STRUCTURE 991 ( 1-3 ) 103 - 107 2011年04月05日

ISSN: 0022-2860

DOI
[9]Cycloparaphenylene: Nickel-mediated Synthesis and Crystal Structure

Segawa, Y; Senel, P; Matsuura, S; Omachi, H; Itami, K

CHEMISTRY LETTERS 40 ( 4 ) 423 - 425 2011年04月05日

ISSN: 0366-7022

DOI
In-situ XAFS Studies of Mn12 Molecular-Cluster Batteries: Super-Reduced Mn12 Clusters in Solid-State Electrochemistry

Wang, H; Hamanaka, S; Yokoyama, T; Yoshikawa, H; Awaga, K

CHEMISTRY-AN ASIAN JOURNAL 6 ( 4 ) 1074 - 1079 2011年04月04日

ISSN: 1861-4728

DOI
Magneto-optical effect and ferromagnetic resonance of Bi-Fe garnet for high frequency electromagnetic sensor

Adachi, N; Yogo, K; Ota, T; Takahashi, M; Ishiyama, K

JOURNAL OF APPLIED PHYSICS 109 ( 7 ) 2011年04月01日

ISSN: 0021-8979

DOI
Tandem Olefin Migration-Aldol Condensation in Water with an Amphiphilic Resin-Supported Ruthenium Complex

Oe, Y; Uozumi, Y

SYNLETT ( 6 ) 787 - 790 2011年04月01日

ISSN: 0936-5214

DOI
Amphoteric behavior of Ge in GaAs: an LDA analysis

Giorgi, G; Yamashita, K

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 19 ( 3 ) 2011年04月

ISSN: 0965-0393

DOI
Concerted or Stepwise Mechanism? CASPT2 and LC-TDDFT Study of the Excited-State Double Proton Transfer in the 7-Azaindole Dimer

Yu, XF; Yamazaki, S; Taketsugu, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 7 ( 4 ) 1006 - 1015 2011年04月

ISSN: 1549-9618

DOI
Core-electron excitation and fragmentation processes of hydrogen bonded acetic-acid clusters in the oxygen K-edge region

Tabayashi, K; Yamamoto, K; Maruyama, T; Yoshida, H; Okada, K; Tamenori, Y; Suzuki, IH; Gejo, T; Hon … 全著者表示

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 184 ( 3-6 ) 134 - 139 2011年04月

ISSN: 0368-2048

DOI
Direct Observation of X-ray Induced Atomic Motion Using Scanning Tunneling Microscope Combined with Synchrotron Radiation

Saito, A; Tanaka, T; Takagi, Y; Hosokawa, H; Notsu, H; Ohzeki, G; Tanaka, Y; Kohmura, Y; Akai-Kasay … 全著者表示

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 11 ( 4 ) 2873 - 2881 2011年04月

ISSN: 1533-4880

DOI
Gapless spin liquid of an organic triangular compound evidenced by thermodynamic measurements

Yamashita, S; Yamamoto, T; Nakazawa, Y; Tamura, M; Kato, R

NATURE COMMUNICATIONS 2 2011年04月

ISSN: 2041-1723

DOI
Nodeless superconducting gap in AxFe2Se2 (A = K, Cs) revealed by angle-resolved photoemission spectroscopy

Zhang, Y; Yang, LX; Xu, M; Ye, ZR; Chen, F; He, C; Xu, HC; Jiang, J; Xie, BP; Ying, JJ; Wang, XF; C … 全著者表示

NATURE MATERIALS 10 ( 4 ) 273 - 277 2011年04月

ISSN: 1476-1122

DOI
Orientation of n-alkane in thin films on graphite (0001) studied using C K-NEXAFS

Endo, O; Ozaki, H; Sumii, R; Amemiya, K; Nakamura, M; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 184 ( 3-6 ) 257 - 260 2011年04月

ISSN: 0368-2048

DOI
Photoemission from valence bands of transition metal-phthalocyanines

Shang, MH; Nagaosa, M; Nagamatsu, S; Hosoumi, S; Kera, S; Fujikawa, T; Ueno, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 184 ( 3-6 ) 261 - 264 2011年04月

ISSN: 0368-2048

DOI
Quantitative Evaluation of Catalytic Effect of Metal Chlorides on the Decomposition Reaction of NaAlH4

Hirate, H; Saito, Y; Nakaya, I; Sawai, H; Yukawa, H; Morinaga, M; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 111 ( 5 ) 950 - 960 2011年04月

ISSN: 0020-7608

DOI
Soft X-ray photoemission study of thermoelectric alloys Fe2-x-yIryV1+xAl and Fe2-xV1+x-yTiyAl

Soda, K; Harada, S; Kato, M; Yagi, S; Inukai, M; Miyazaki, H; Sandaiji, Y; Tamada, Y; Tanaka, S; Su … 全著者表示

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 184 ( 3-6 ) 236 - 239 2011年04月

ISSN: 0368-2048

DOI
Electronic structure of YbGa1.15Si0.85 and YbGaxGe2-x probed by resonant x-ray emission and photoelectron spectroscopies

Yamaoka, H; Jarrige, I; Tsujii, N; Imai, M; Lin, JF; Matsunami, M; Eguchi, R; Arita, M; Shimada, K; … 全著者表示

PHYSICAL REVIEW B 83 ( 10 ) 2011年03月31日

ISSN: 2469-9950

DOI
Linearity condition for orbital energies in density functional theory: Construction of orbital-specific hybrid functional

Imamura, Y; Kobayashi, R; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 134 ( 12 ) 2011年03月28日

ISSN: 0021-9606

DOI
Regioselective Cycloaddition of La2@/h-C80 with Tetracyanoethylene Oxide: Formation of an Endohedral Dimetallofullerene Adduct Featuring Enhanced Electron-Accepting Character

Yamada, M; Minowa, M; Sato, S; Slanina, Z; Tsuchiya, T; Maeda, Y; Nagase, S; Akasaka, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 11 ) 3796 - 3799 2011年03月23日

ISSN: 0002-7863

DOI
Broken-symmetry natural orbital (BSNO)-Mk-MRCC study on the exchange coupling in the binuclear copper(II) compounds

Saito, T; Yasuda, N; Nishihara, S; Yamanaka, S; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 505 ( 1-3 ) 11 - 15 2011年03月21日

ISSN: 0009-2614

DOI
Vibronic coupling density analysis for free-base porphin cation

Shizu, K; Sato, T; Tanaka, K

CHEMICAL PHYSICS LETTERS 505 ( 1-3 ) 42 - 46 2011年03月21日

ISSN: 0009-2614

DOI
Solvent and Salt Effects on Structural Stability of Human Telomere

Maruyama, Y; Matsushita, T; Ueoka, R; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 115 ( 10 ) 2408 - 2416 2011年03月17日

ISSN: 1520-6106

DOI
Nonequilibrium solvation for vertical photoemission and photoabsorption processes using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model

Fukuda, R; Ehara, M; Nakatsuji, H; Cammi, R

JOURNAL OF CHEMICAL PHYSICS 134 ( 10 ) 2011年03月14日

ISSN: 0021-9606

DOI
A model for recombination in Type II dye-sensitized solar cells: Catechol-thiophene dyes

Manzhos, S; Segawa, H; Yamashita, K

CHEMICAL PHYSICS LETTERS 504 ( 4-6 ) 230 - 235 2011年03月10日

ISSN: 0009-2614

DOI
Sodium or Lithium Ion-Binding-Induced Structural Changes in the K-Ring of V-ATPase from Enterococcus hirae Revealed by ATR-FTIR Spectroscopy

Furutani, Y; Murata, T; Kandori, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 9 ) 2860 - 2863 2011年03月09日

ISSN: 0002-7863

DOI
Inverted micelle formation of cell-penetrating peptide studied by coarse-grained simulation: Importance of attractive force between cell-penetrating peptides and lipid head group

Kawamoto, S; Takasu, M; Miyakawa, T; Morikawa, R; Oda, T; Futaki, S; Nagao, H

JOURNAL OF CHEMICAL PHYSICS 134 ( 9 ) 2011年03月07日

ISSN: 0021-9606

DOI
Benzimidazole derivatives in the electrolyte of new-generation organic dye-sensitized solar cells with an iodine-free redox mediator

Min, J; Won, J; Kang, YS; Nagase, S

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 219 ( 1 ) 148 - 153 2011年03月05日

ISSN: 1010-6030

DOI
Photoinduced Triplet States of Photoconductive TTF Derivatives Including a Fluorescent Group

Furukawa, K; Sugishima, Y; Fujiwara, H; Nakamura, T

CHEMISTRY LETTERS 40 ( 3 ) 292 - 294 2011年03月05日

ISSN: 0366-7022

DOI
Interpretation of Intermolecular Geometric Isotope Effect in Hydrogen Bonds: Nuclear Orbital plus Molecular Orbital Study

Ikabata, Y; Imamura, Y; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 8 ) 1433 - 1439 2011年03月03日

ISSN: 1089-5639

DOI
Semi-metallic Single-Component Crystal of Soluble La@C82 Derivative with High Electron Mobility

Sato, S; Seki, S; Honsho, Y; Wang, L; Nikawa, H; Luo, G; Lu, J; Haranaka, M; Tsuchiya, T; Nagase, S … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 8 ) 2766 - 2771 2011年03月02日

ISSN: 0002-7863

DOI
Ab initio-based approach to adsorption-desorption behavior on the InAs(1 1 1)A heteroepitaxially grown on GaAs substrate

Ito, T; Ishimure, N; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 318 ( 1 ) 72 - 75 2011年03月01日

ISSN: 0022-0248

DOI
Aerobic Oxidations Catalyzed by Colloidal Nanogold

Tsukuda, T; Tsunoyama, H; Sakurai, H

CHEMISTRY-AN ASIAN JOURNAL 6 ( 3 ) 736 - 748 2011年03月01日

ISSN: 1861-4728

DOI
Stability of hydrogen on nonpolar and semipolar nitride surfaces: Role of surface orientation

Akiyama, T; Yamashita, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 318 ( 1 ) 79 - 83 2011年03月01日

ISSN: 0022-0248

DOI
Anisotropic Electronic Structure of the Kondo Semiconductor CeFe2Al10 Studied by Optical Conductivity

Kimura, S; Muro, Y; Takabatake, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 80 ( 3 ) 2011年03月

ISSN: 0031-9015

DOI
Anomalous Light Transmission from Plasmonic-Capped Nanoapertures

Imura, K; Ueno, K; Misawa, H; Okamoto, H

NANO LETTERS 11 ( 3 ) 960 - 965 2011年03月

ISSN: 1530-6984

DOI
Infrared and Raman studies of the anion ordering transitions in paramagnetic organometallic radical cation salts [Cp2Mo(dmit)]X (X = PF6, SbF6)

Swietlik, R; Jankowski, D; Fourmigué, M; Yakushi, K

VIBRATIONAL SPECTROSCOPY 55 ( 2 ) 195 - 200 2011年03月

ISSN: 0924-2031

DOI
Controlling the sense of molecular rotation: Classical versus quantum analysis

Khodorkovsky, Y; Kitano, K; Hasegawa, H; Ohshima, Y; Averbukh, IS

PHYSICAL REVIEW A 83 ( 2 ) 2011年02月28日

ISSN: 1050-2947

DOI
Crossover from bias-induced to field-induced breakdown in one-dimensional band and Mott insulators attached to electrodes

Tanaka, Y; Yonemitsu, K

PHYSICAL REVIEW B 83 ( 8 ) 2011年02月28日

ISSN: 1098-0121

DOI
Efficient multi-keV x-ray generation from a high-Z target irradiated with a clean ultra-short laser pulse

Zhang, Z; Nishikino, M; Nishimura, H; Kawachi, T; Pirozhkov, AS; Sagisaka, A; Orimo, S; Ogura, K; Y … 全著者表示

OPTICS EXPRESS 19 ( 5 ) 4560 - 4565 2011年02月28日

ISSN: 1094-4087

DOI
Projection of Si 1s photoexcited orbitals into resonant Auger electron spectra in KLL decays of Si(CH3)4 and SiF4

Suzuki, IH; Kono, Y; Ikeda, A; Ouchi, T; Ueda, K; Takahashi, O; Higuchi, I; Tamenori, Y; Nagaoka, S

JOURNAL OF CHEMICAL PHYSICS 134 ( 8 ) 2011年02月28日

ISSN: 0021-9606

DOI
Theoretical study of lanthanide mono cation-mediated C-F bond activation

Matsuda, A; Mori, H

CHEMICAL PHYSICS 380 ( 1-3 ) 48 - 53 2011年02月28日

ISSN: 0301-0104

DOI
Dielectric properties of polar-phthalocyanine monolayer systems with repulsive dipole interaction

Fukagawa, H; Hosoumi, S; Yamane, H; Kera, S; Ueno, N

PHYSICAL REVIEW B 83 ( 8 ) 2011年02月22日

ISSN: 2469-9950

DOI
Structure sensitivity of double inner-shell holes in sulfur-containing molecules

Linusson, P; Takahashi, O; Ueda, K; Eland, JHD; Feifel, R

PHYSICAL REVIEW A 83 ( 2 ) 2011年02月18日

ISSN: 2469-9926

DOI
Electronic structures of a [4Fe-4S] cluster, [Fe4S4(SCH3)3(CH3COO)], in dark-operative protochlorophyllide oxidoreductase (DPOR)

Takano, Y; Yonezawa, Y; Fujita, Y; Kurisu, G; Nakamura, H

CHEMICAL PHYSICS LETTERS 503 ( 4-6 ) 296 - 300 2011年02月17日

ISSN: 0009-2614

DOI
Enhancement of Second Hyperpolarizabilities in Open-Shell Singlet Slipped-Stack Dimers Composed of Square Planar Nickel Complexes Involving o-Semiquinonato Type Ligands

Fukui, H; Shigeta, Y; Nakano, M; Kubo, T; Kamada, K; Ohta, K; Champagne, B; Botek, E

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 6 ) 1117 - 1124 2011年02月17日

ISSN: 1089-5639

DOI
Affinity of small ligands to myoglobin studied by the 3D-RISM theory

Kiyota, Y; Yoshida, N; Hirata, F

JOURNAL OF MOLECULAR LIQUIDS 159 ( 1 ) 93 - 98 2011年02月15日

ISSN: 0167-7322

DOI
The electronic-structure theory of a large-molecular system in solution: Application to the intercalation of proflavine with solvated DNA

Yoshida, N; Kiyota, Y; Hirata, F

JOURNAL OF MOLECULAR LIQUIDS 159 ( 1 ) 83 - 92 2011年02月15日

ISSN: 0167-7322

DOI
Conduction-type control of fullerene films from n- to p-type by molybdenum oxide doping

Kubo, M; Iketaki, K; Kaji, T; Hiramoto, M

APPLIED PHYSICS LETTERS 98 ( 7 ) 2011年02月14日

ISSN: 0003-6951

DOI
Hyperspherical slow variable discretization method for weakly bound triatomic molecules

Suno, H

JOURNAL OF CHEMICAL PHYSICS 134 ( 6 ) 2011年02月14日

ISSN: 0021-9606

DOI
Properties of Hollow Molecules Probed by Single-Photon Double Ionization

Lablanquie, P; Penent, F; Palaudoux, J; Andric, L; Selles, P; Carniato, S; Bucar, K; Zitnik, M; Hut … 全著者表示

PHYSICAL REVIEW LETTERS 106 ( 6 ) 2011年02月11日

ISSN: 0031-9007

DOI
Confined Optical Fields in Nanovoid Chain Structures Directly Visualized by Near-Field Optical Imaging

Kim, SI; Imura, K; Kim, S; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 5 ) 1548 - 1555 2011年02月10日

ISSN: 1932-7447

DOI
Effect of Cations on the Interactions of Ru Dye and Iodides in Dye-Sensitized Solar Cells: A Density Functional Theory Study

Kusama, H; Sugihara, H; Sayama, K

JOURNAL OF PHYSICAL CHEMISTRY C 115 ( 5 ) 2544 - 2552 2011年02月10日

ISSN: 1932-7447

DOI
Kinetics and Solvent-Dependent Thermodynamics of Water Capture by a Fullerene-Based Hydrophobic Nanocavity

Frunzi, M; Baldwin, AM; Shibata, N; Iwamatsu, SI; Lawler, RG; Turro, NJ

JOURNAL OF PHYSICAL CHEMISTRY A 115 ( 5 ) 735 - 740 2011年02月10日

ISSN: 1089-5639

DOI
N-Glycans from Porcine Trachea and Lung: Predominant NeuAcα2-6Gal Could Be a Selective Pressure for Influenza Variants in Favor of Human-Type Receptor

Sriwilaijaroen, N; Kondo, S; Yagi, H; Takemae, N; Saito, T; Hiramatsu, H; Kato, K; Suzuki, Y

PLOS ONE 6 ( 2 ) 2011年02月09日

ISSN: 1932-6203

DOI
Post-Translational His-Cys Cross-Linkage Formation in Tyrosinase Induced by Copper(II)-Peroxo Species

Fujieda, N; Ikeda, T; Murata, M; Yanagisawa, S; Aono, S; Ohkubo, K; Nagao, S; Ogura, T; Hirota, S; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 133 ( 5 ) 1180 - 1183 2011年02月09日

ISSN: 0002-7863

DOI
Multi-Scale Free Energy Landscape calculation method by combination of coarse-grained and all-atom models

Harada, R; Kitao, A

CHEMICAL PHYSICS LETTERS 503 ( 1-3 ) 145 - 152 2011年02月08日

ISSN: 0009-2614

DOI
Synthesis of Sumanene and Related Buckybowls

Higashibayashi, S; Sakurai, H

CHEMISTRY LETTERS 40 ( 2 ) 122 - 128 2011年02月05日

ISSN: 0366-7022

DOI
Electronic-Structure-Driven Magnetic Ordering in a Kondo Semiconductor CeOs2Al10

Kimura, S; Iizuka, T; Miyazaki, H; Irizawa, A; Muro, Y; Takabatake, T

PHYSICAL REVIEW LETTERS 106 ( 5 ) 2011年02月04日

ISSN: 0031-9007

DOI
DFT Study of Chiral-Phosphoric-Acid-Catalyzed Enantioselective Friedel-Crafts Reaction of Indole with Nitroalkene: Bifunctionality and Substituent Effect of Phosphoric Acid

Hirata, T; Yamanaka, M

CHEMISTRY-AN ASIAN JOURNAL 6 ( 2 ) 510 - 516 2011年02月01日

ISSN: 1861-4728

DOI
Highly Regioselective Synthesis of Bis-Aziridino[60]fullerene with Sulfilimine

Okada, M; Nakahodo, T; Ishitsuka, MO; Nikawa, H; Tsuchiya, T; Akasaka, T; Fujie, T; Yoshimura, T; S … 全著者表示

CHEMISTRY-AN ASIAN JOURNAL 6 ( 2 ) 416 - 423 2011年02月01日

ISSN: 1861-4728

DOI
Selectivities in Chiral Lewis Acid Catalyzed Diels-Alder Reactions of Acetylenic Ketones: Explanation for Differences of Selectivities between Acylic and Cyclic Dienes

Payette, JN; Akakura, M; Yamamoto, H

CHEMISTRY-AN ASIAN JOURNAL 6 ( 2 ) 380 - 384 2011年02月01日

ISSN: 1861-4728

DOI
An Inward Proton Transport Using Anabaena Sensory Rhodopsin

Kawanabe, A; Furutani, Y; Jung, KH; Kandori, H

JOURNAL OF MICROBIOLOGY 49 ( 1 ) 1 - 6 2011年02月

ISSN: 1225-8873

DOI
Laser Demonstration of Diode-Pumped Nd3+-Doped Fluorapatite Anisotropic Ceramics

Akiyama, J; Sato, Y; Taira, T

APPLIED PHYSICS EXPRESS 4 ( 2 ) 2011年02月

ISSN: 1882-0778

DOI
Photoinduced insulator-to-metal transition dynamics in models for quasi-two-dimensional organic conductors

Yonemitsu, K; Tanaka, Y; Miyashita, S; Maeshima, N

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 248 ( 2 ) 486 - 490 2011年02月

ISSN: 0370-1972

DOI
Collectivity of plasmonic excitations in small sodium clusters with ring and linear structures

Yasuike, T; Nobusada, K; Hayashi, M

PHYSICAL REVIEW A 83 ( 1 ) 2011年01月31日

ISSN: 1050-2947

DOI
Dynamical Switching of a Reaction Coordinate to Carry the System through to a Different Product State at High Energies

Teramoto, H; Toda, M; Komatsuzaki, T

PHYSICAL REVIEW LETTERS 106 ( 5 ) 2011年01月31日

ISSN: 0031-9007

DOI
A new type of electrochemical oxidation of alcohols mediated with a ruthenium-dioxolene-amine complex in neutral water

Ozawa, H; Hino, T; Ohtsu, H; Wada, T; Tanaka, K

INORGANICA CHIMICA ACTA 366 ( 1 ) 298 - 302 2011年01月30日

ISSN: 0020-1693

DOI
Exciton-polariton transmission in quantum dot waveguides and a new transmission path due to thermal relaxation

Kubota, Y; Nobusada, K

JOURNAL OF CHEMICAL PHYSICS 134 ( 4 ) 2011年01月28日

ISSN: 0021-9606

DOI
Free energy calculation using molecular dynamics simulation combined with the three-dimensional reference interaction site model theory. II. Thermodynamic integration along a spatial reaction coordinate

Miyata, T; Ikuta, Y; Hirata, F

JOURNAL OF CHEMICAL PHYSICS 134 ( 4 ) 2011年01月28日

ISSN: 0021-9606

DOI
Tensor factorizations of local second-order Moller-Plesset theory

Yang, J; Kurashige, Y; Manby, FR; Chan, GKL

JOURNAL OF CHEMICAL PHYSICS 134 ( 4 ) 2011年01月28日

ISSN: 0021-9606

DOI
Free-time and fixed end-point multi-target optimal control theory: Application to quantum computing

Mishima, K; Yamashita, K

CHEMICAL PHYSICS 379 ( 1-3 ) 13 - 22 2011年01月24日

ISSN: 0301-0104

DOI
Reconsidering an analytical gradient expression within a divide-and-conquer self-consistent field approach: Exact formula and its approximate treatment

Kobayashi, M; Kunisada, T; Akama, T; Sakura, D; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 134 ( 3 ) 2011年01月21日

ISSN: 0021-9606

DOI
Hidden slow time scale of correlated motions in supercooled liquids: Multi-time correlation function approach

Kim, K; Saito, S

JOURNAL OF NON-CRYSTALLINE SOLIDS 357 ( 2 ) 371 - 375 2011年01月15日

ISSN: 0022-3093

DOI
Molecular dynamics study of the dynamical behavior in ionic liquids through interionic interactions

Ishida, T

JOURNAL OF NON-CRYSTALLINE SOLIDS 357 ( 2 ) 454 - 462 2011年01月15日

ISSN: 0022-3093

DOI
Structural and biochemical study on the inhibitory activity of derivatives of 5-nitro-furan-2-carboxylic acid for RNase H function of HIV-1 reverse transcriptase

Yanagita, H; Urano, E; Matsumoto, K; Ichikawa, R; Takaesu, Y; Ogata, M; Murakami, T; Wu, HG; Chiba, … 全著者表示

BIOORGANIC & MEDICINAL CHEMISTRY 19 ( 2 ) 816 - 825 2011年01月15日

ISSN: 0968-0896

DOI
Structures and Electrical Properties of (BTM-TS-TTP)4PF6

Yasuda, M; Fujiwara, E; Aonuma, S; Fujiwara, H; Sugimoto, T; Nakayashiki, T; Tanaka, K; Takahashi, … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 84 ( 1 ) 79 - 81 2011年01月15日

ISSN: 0009-2673

DOI
Molecular dynamics simulation of liquid methanol. I. Molecular modeling including C-H vibration and fermi resonance

Ishiyama, T; Sokolov, VV; Morita, A

JOURNAL OF CHEMICAL PHYSICS 134 ( 2 ) 2011年01月14日

ISSN: 0021-9606

DOI
Molecular dynamics simulation of liquid methanol. II. Unified assignment of infrared, raman, and sum frequency generation vibrational spectra in methyl C-H stretching region

Ishiyama, T; Sokolov, VV; Morita, A

JOURNAL OF CHEMICAL PHYSICS 134 ( 2 ) 2011年01月14日

ISSN: 0021-9606

DOI
Near infrared light driven organic p-i-n solar cells incorporating phthalocyanine J-aggregate

Hiramoto, M; Kitada, K; Iketaki, K; Kaji, T

APPLIED PHYSICS LETTERS 98 ( 2 ) 2011年01月10日

ISSN: 0003-6951

DOI
Crystal structures of human secretory proteins ZG16p and ZG16b reveal a Jacalin-related β-prism fold

Kanagawa, M; Satoh, T; Ikeda, A; Nakano, Y; Yagi, H; Kato, K; Kojima-Aikawa, K; Yamaguchi, Y

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 404 ( 1 ) 201 - 205 2011年01月07日

ISSN: 0006-291X

DOI
Derivative coupling constants of NK1, NK7 dyes and their relation to excited state dynamics in solar cell applications

Manzhos, S; Segawa, H; Yamashita, K

CHEMICAL PHYSICS LETTERS 501 ( 4-6 ) 580 - 586 2011年01月07日

ISSN: 0009-2614

DOI
Catalytic activity of gold nanoclusters in intramolecular hydroamination of alkenes and alkynes with toluenesulfonamide under aerobic and basic conditions

Kitahara, H; Sakurai, H

JOURNAL OF ORGANOMETALLIC CHEMISTRY 696 ( 1 ) 442 - 449 2011年01月01日

ISSN: 0022-328X

DOI
Exploring coumarin egress channels in human cytochrome P450 2A6 by random acceleration and steered molecular dynamics simulations

Li, WH; Shen, J; Liu, GX; Tang, Y; Hoshino, T

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 79 ( 1 ) 271 - 281 2011年01月

ISSN: 0887-3585

DOI
Inner-shell spectroscopy and exchange interaction of Rydberg electrons bound by singly and doubly charged Kr and Xe atoms in small clusters

Nagasaka, M; Hatsui, T; Setoyama, H; Rühl, E; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 183 ( 1-3 ) 29 - 35 2011年01月

ISSN: 0368-2048

DOI
Intrinsic quasi-particle dynamics of topological metallic states

Park, SR; Jung, WS; Han, GR; Kim, YK; Kim, C; Song, DJ; Koh, YY; Kimura, S; Lee, KD; Hur, N; Kim, J … 全著者表示

NEW JOURNAL OF PHYSICS 13 2011年01月

ISSN: 1367-2630

DOI
Magnetically Recoverable Magnetite/Gold Catalyst Stabilized by Poly(N-vinyl-2-pyrrolidone) for Aerobic Oxidation of Alcohols

Chen, HW; Murugadoss, A; Hor, TSA; Sakurai, H

MOLECULES 16 ( 1 ) 149 - 161 2011年01月

DOI
Molecular Design of High-Performance Fullerene Materials: A Theoretical Study on Hole-Transport Property of Fullerene Hydride C70H2

Tokunaga, K; Ohmori, S; Kawabata, H

JAPANESE JOURNAL OF APPLIED PHYSICS 50 ( 1 ) 2011年01月

ISSN: 0021-4922

DOI
Redox-responsive molecular helices with highly condensed π-clouds

Ohta, E; Sato, H; Ando, S; Kosaka, A; Fukushima, T; Hashizume, D; Yamasaki, M; Hasegawa, K; Muraoka … 全著者表示

NATURE CHEMISTRY 3 ( 1 ) 68 - 73 2011年01月

ISSN: 1755-4330

DOI
Theoretical studies on model reaction pathways of prostaglandin H2 isomerization to prostaglandin D2/E2

Yamaguchi, N; Naiki, T; Kohzuma, T; Takada, T; Sakata, F; Mori, S

THEORETICAL CHEMISTRY ACCOUNTS 128 ( 2 ) 191 - 206 2011年01月

ISSN: 1432-881X

DOI
13C-NMR quantification of proton exchange at LewisX hydroxyl groups in water

Hanashima, S; Kato, K; Yamaguchi, Y

CHEMICAL COMMUNICATIONS 47 ( 38 ) 10800 - 10802 2011年

ISSN: 1359-7345

DOI
In situ time-resolved XAFS study on the structural transformation and phase separation of Pt3Sn and PtSn alloy nanoparticles on carbon in the oxidation process

Uemura, Y; Inada, Y; Bando, KK; Sasaki, T; Kamiuchi, N; Eguchi, K; Yagishita, A; Nomura, M; Tada, M … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 35 ) 15833 - 15844 2011年

ISSN: 1463-9076

DOI
A Highly Active and Reusable Self-Assembled Poly(Imidazole/Palladium) Catalyst: Allylic Arylation/Alkenylation

Sarkar, SM; Uozumi, Y; Yamada, YMA

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 40 ) 9437 - 9441 2011年

ISSN: 1433-7851

DOI
A computational investigation of H2 adsorption and dissociation on Au nanoparticles supported on TiO2 surface

Lyalin, A; Taketsugu, T

FARADAY DISCUSSIONS 152 185 - 201 2011年

ISSN: 1359-6640

DOI
A novel amphiphilic pincer palladium complex: design, preparation and self-assembling behavior

Hamasaka, G; Muto, T; Uozumi, Y

DALTON TRANSACTIONS 40 ( 35 ) 8859 - 8868 2011年

ISSN: 1477-9226

DOI
ABSORPTION SPECTRA OF NUCLEIC ACID BASES STUDIED BY THE SYMMETRY-ADAPTED-CLUSTER CONFIGURATION-INTERACTION (SAC-CI) METHOD

Miyahara, T; Nakatsuji, H

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS 76 ( 5 ) 537 - 552 2011年

ISSN: 0010-0765

DOI
Chemistry of endohedral metallofullerenes: the role of metals

Lu, X; Akasaka, T; Nagase, S

CHEMICAL COMMUNICATIONS 47 ( 21 ) 5942 - 5957 2011年

ISSN: 1359-7345

DOI
Covalently Linked Porphyrin-La@C82 Hybrids: Structural Elucidation and Investigation of Intramolecular Interactions

Feng, L; Slanina, Z; Sato, S; Yoza, K; Tsuchiya, T; Mizorogi, N; Akasaka, T; Nagase, S; Martín, N; … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 26 ) 5909 - 5912 2011年

DOI
Current progress on the chemical functionalization and supramolecular chemistry of M@C82

Maeda, Y; Tsuchiya, T; Lu, X; Takano, Y; Akasaka, T; Nagase, S

NANOSCALE 3 ( 6 ) 2421 - 2429 2011年

ISSN: 2040-3364

DOI
Density Functional Theory Analysis for Orbital Interaction between Hypophosphite Ions and Metal Surfaces

Kunimoto, M; Nakai, H; Homma, T

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 158 ( 10 ) D626 - D633 2011年

ISSN: 0013-4651

DOI
Density Functional Theory Analysis of Reaction Mechanism of Hypophosphite Ions on Metal Surfaces

Kunimoto, M; Shimada, T; Odagiri, S; Nakai, H; Homma, T

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 158 ( 9 ) D585 - D589 2011年

ISSN: 0013-4651

DOI
Deprotonation/protonation of coordinated secondary thioamide units of pincer ruthenium complexes: Modulation of voltammetric and spectroscopic characterization of the pincer complexes

Teratani, T; Koizumi, T; Yamamoto, T; Tanaka, K; Kanbara, T

DALTON TRANSACTIONS 40 ( 35 ) 8879 - 8886 2011年

ISSN: 1477-9226

DOI
Facile low-temperature growth of carbon nanosheets toward simultaneous determination of dopamine, ascorbic acid and uric acid

Wang, ZP; Mao, SJ; Ogata, H

ANALYST 136 ( 23 ) 4903 - 4905 2011年

ISSN: 0003-2654

DOI
High-resolution soft X-ray photoelectron spectroscopy of liquid water

Nishizawa, K; Kurahashi, N; Sekiguchi, K; Mizuno, T; Ogi, Y; Horio, T; Oura, M; Kosugi, N; Suzuki, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 2 ) 413 - 417 2011年

ISSN: 1463-9076

DOI
Highly Enantioselective Cyclopropenation Reaction of 1-Alkynes with α-Alkyl-α-Diazoesters Catalyzed by Dirhodium(II) Carboxylates

Goto, T; Takeda, K; Shimada, N; Nambu, H; Anada, M; Shiro, M; Ando, K; Hashimoto, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 30 ) 6803 - 6808 2011年

ISSN: 1433-7851

DOI
Highly shape-selective guest encapsulation in the precisely defined cavity of a calix[4] arene-capped metalloporphyrin

Iwamoto, H; Nishi, S; Haino, T

CHEMICAL COMMUNICATIONS 47 ( 47 ) 12670 - 12672 2011年

ISSN: 1359-7345

DOI
Magnetic memory based on magnetic alignment of a paramagnetic ionic liquid near room temperature

Funasako, Y; Mochida, T; Inagaki, T; Sakurai, T; Ohta, H; Furukawa, K; Nakamura, T

CHEMICAL COMMUNICATIONS 47 ( 15 ) 4475 - 4477 2011年

ISSN: 1359-7345

DOI
Mode-selective internal conversion of perylene

Suganuma, Y; Kowaka, Y; Ashizawa, N; Nakayama, N; Goto, H; Ishimoto, T; Nagashima, U; Ueda, T; Yama … 全著者表示

MOLECULAR PHYSICS 109 ( 14 ) 1831 - 1840 2011年

ISSN: 0026-8976

DOI
Modification of MOF catalysts by manipulation of counter-ions: experimental and theoretical studies of photochemical hydrogen production from water over microporous diruthenium (II, III) coordination polymers

Kataoka, Y; Miyazaki, Y; Sato, K; Saito, T; Nakanishi, Y; Kiatagwa, Y; Kawakami, T; Okumura, M; Yam … 全著者表示

SUPRAMOLECULAR CHEMISTRY 23 ( 3-4 ) 287 - 296 2011年

ISSN: 1061-0278

DOI
Molecular-Architecture-Based Administration of Catalysis in Water: Self-Assembly of an Amphiphilic Palladium Pincer Complex

Hamasaka, G; Muto, T; Uozumi, Y

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 21 ) 4876 - 4878 2011年

ISSN: 1433-7851

DOI
Multi-electron spectroscopy: Auger decays of the argon 2s hole

Lablanquie, P; Huttula, SM; Huttula, M; Andric, L; Palaudoux, J; Eland, JHD; Hikosaka, Y; Shigemasa … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 41 ) 18355 - 18364 2011年

ISSN: 1463-9076

DOI
Nanohybridization of Polyoxometalate Clusters and Single-Wall Carbon Nanotubes: Applications in Molecular Cluster Batteries

Kawasaki, N; Wang, H; Nakanishi, R; Hamanaka, S; Kitaura, R; Shinohara, H; Yokoyama, T; Yoshikawa, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 15 ) 3471 - 3474 2011年

ISSN: 1433-7851

DOI
Non-IPR endohedral fullerene Yb@C76: density functional theory characterization

Yang, T; Zhao, X; Xu, Q; Zhou, CH; He, L; Nagase, S

JOURNAL OF MATERIALS CHEMISTRY 21 ( 33 ) 12206 - 12209 2011年

ISSN: 0959-9428

DOI
Normal and inverted redox potentials and structural changes tuned by medium effects in [M2Mo(η5-C5Me5)2(S2C6H4)2(CO)2] (M: Co, Rh)

Muratsugu, S; Sodeyama, K; Kitamura, F; Tsukada, S; Tada, M; Tsuneyuki, S; Nishihara, H

CHEMICAL SCIENCE 2 ( 10 ) 1960 - 1968 2011年

ISSN: 2041-6520

DOI
ORGANOSULFUR-BASED FULLERENE MATERIALS

Nakahodo, T; Ishitsuka, MO; Takano, Y; Tsuchiya, T; Akasaka, T; Herranz, MA; Martin, N; Guldi, DM; … 全著者表示

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 186 ( 5 ) 1308 - 1311 2011年

ISSN: 1042-6507

DOI
Optical manipulation of coherent phonons in superconducting YBa2Cu3O7-δ thin films

Okano, Y; Katsuki, H; Nakagawa, Y; Takahashi, H; Nakamura, KG; Ohmori, K

FARADAY DISCUSSIONS 153 375 - 382 2011年

ISSN: 1364-5498

DOI
Optimization of partial multicanonical molecular dynamics simulations applied to an alanine dipeptide in explicit water solvent

Okumura, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 1 ) 114 - 126 2011年

ISSN: 1463-9076

DOI
Oxidation of Chloride and Subsequent Chlorination of Organic Compounds by Oxoiron(IV) Porphyrin π-Cation Radicals

Cong, ZQ; Kurahashi, T; Fujii, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 42 ) 9935 - 9939 2011年

ISSN: 1433-7851

DOI
Phase stabilization in nitrogen-implanted nanocrystalline cubic zirconia

Wang, GH; Luo, GF; Soo, YL; Sabirianov, RF; Lin, HJ; Mei, WN; Namavar, F; Cheung, CL

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 43 ) 19517 - 19525 2011年

ISSN: 1463-9076

DOI
Porphyrin-based two-dimensional covalent organic frameworks: synchronized synthetic control of macroscopic structures and pore parameters

Feng, XA; Chen, L; Dong, YP; Jiang, DL

CHEMICAL COMMUNICATIONS 47 ( 7 ) 1979 - 1981 2011年

ISSN: 1359-7345

DOI
Preparation and characterization of transparent and conductive thin films of single-walled carbon nanotubes

Maeda, Y; Komoriya, K; Sode, K; Higo, J; Nakamura, T; Yamada, M; Hasegawa, T; Akasaka, T; Saito, T; … 全著者表示

NANOSCALE 3 ( 4 ) 1904 - 1909 2011年

ISSN: 2040-3364

DOI
Preparation of surface molecularly imprinted Ru-complex catalysts for asymmetric transfer hydrogenation in water media

Weng, ZH; Muratsugu, S; Ishiguro, N; Ohkoshi, S; Tada, M

DALTON TRANSACTIONS 40 ( 10 ) 2338 - 2347 2011年

ISSN: 1477-9226

DOI
Radical Derivatives of Insoluble La@C74: X-ray Structures, Metal Positions, and Isomerization

Lu, X; Nikawa, H; Kikuchi, T; Mizorogi, N; Slanina, Z; Tsuchiya, T; Nagase, S; Akasaka, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 28 ) 6356 - 6359 2011年

ISSN: 1433-7851

DOI
Size dependences of the diradical character and the second hyperpolarizabilities in dicyclopenta-fused acenes: relationships with their aromaticity/antiaromaticity

Motomura, S; Nakano, M; Fukui, H; Yoneda, K; Kubo, T; Carion, R; Champagne, B

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 46 ) 20575 - 20583 2011年

ISSN: 1463-9076

DOI
Stability of Pt(II)-based H2-evolving catalysts against H2 in aqueous solution

Yamauchi, K; Masaoka, S; Sakai, K

DALTON TRANSACTIONS 40 ( 46 ) 12447 - 12449 2011年

ISSN: 1477-9226

DOI
Statistical mechanics theory of molecular recognition and pharmaceutical design

Yoshida, N; Kiyota, Y; Phongphanphanee, S; Maruyama, Y; Imai, T; Hirata, F

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY 30 ( 4 ) 445 - 478 2011年

ISSN: 0144-235X

DOI
Structural trends of ionized water networks: Infrared spectroscopy of water cluster radical cations (H2O)n+ (n=3-11)

Mizuse, K; Kuo, JL; Fujii, A

CHEMICAL SCIENCE 2 ( 5 ) 868 - 876 2011年

ISSN: 2041-6520

DOI
Structure and Dynamic Behavior of Neutral Hexacoordinate Antimony Compounds with Intramolecular Coordination

Yamamichi, H; Matsukawa, S; Kojima, S; Ando, K; Yamamoto, Y

HETEROATOM CHEMISTRY 22 ( 3-4 ) 553 - 561 2011年

ISSN: 1042-7163

DOI
Supercapacitive Energy Storage and Electric Power Supply Using an Aza-Fused π-Conjugated Microporous Framework

Kou, Y; Xu, YH; Guo, ZQ; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 37 ) 8753 - 8757 2011年

ISSN: 1433-7851

DOI
Synthesis of Metallophthalocyanine Covalent Organic Frameworks That Exhibit High Carrier Mobility and Photoconductivity

Ding, XS; Guo, J; Feng, XA; Honsho, Y; Guo, JD; Seki, S; Maitarad, P; Saeki, A; Nagase, S; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 ( 6 ) 1289 - 1293 2011年

ISSN: 1433-7851

DOI
Synthesis, structures and optical properties of trisilasumanene and its related compounds

Tanikawa, T; Saito, M; Guo, JD; Nagase, S

ORGANIC & BIOMOLECULAR CHEMISTRY 9 ( 6 ) 1731 - 1735 2011年

ISSN: 1477-0520

DOI
The electronic and structural properties of novel organomodified Si nanosheets

Spencer, MJS; Morishita, T; Mikami, M; Snook, IK; Sugiyama, Y; Nakano, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 34 ) 15418 - 15422 2011年

ISSN: 1463-9076

DOI
Theoretical design of a hole-transporting molecule: hexaaza[16] parabiphenylophane

Shizu, K; Sato, T; Ito, A; Tanaka, K; Kaji, H

JOURNAL OF MATERIALS CHEMISTRY 21 ( 17 ) 6375 - 6382 2011年

ISSN: 0959-9428

DOI
Theoretical studies on the electronic structure of the synthetic complex of soluble methanemonooxygenase intermediate Q

Saito, T; Kataoka, Y; Nakanishi, Y; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M; Yamaguchi, K

SUPRAMOLECULAR CHEMISTRY 23 ( 1-2 ) 83 - 87 2011年

ISSN: 1061-0278

DOI
Theoretical studies on the structural and magnetic property of arginase active site

Saito, T; Kataoka, Y; Nakanishi, Y; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M; Yamaguchi, K

SUPRAMOLECULAR CHEMISTRY 23 ( 1-2 ) 22 - 28 2011年

ISSN: 1061-0278

DOI
Theoretical study of absorption spectrum of dirhodium tetracarboxylate complex [Rh2(CH3COO)4(H2O)2] in aqueous solution revisited

Kataoka, Y; Kitagawa, Y; Saito, T; Nakanishi, Y; Sato, K; Miyazaki, Y; Kawakami, T; Okumura, M; Mor … 全著者表示

SUPRAMOLECULAR CHEMISTRY 23 ( 3-4 ) 329 - 336 2011年

ISSN: 1061-0278

DOI
Visualizing hydrogen atoms migrating in acetylene dication by time-resolved three-body and four-body Coulomb explosion imaging

Matsuda, A; Fushitani, M; Takahashi, EJ; Hishikawa, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 19 ) 8697 - 8704 2011年

ISSN: 1463-9076

DOI
μ-XAFS of a single particle of a practical NiOx/Ce2Zr2Oy catalyst

Tada, M; Ishiguro, N; Uruga, T; Tanida, H; Terada, Y; Nagamatsu, S; Iwasawa, Y; Ohkoshi, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 ( 33 ) 14910 - 14913 2011年

ISSN: 1463-9076

DOI
Adiabatic hyperspherical study of weakly bound helium-helium-alkali-metal triatomic systems

Suno, H; Esry, BD

PHYSICAL REVIEW A 82 ( 6 ) 2010年12月29日

ISSN: 1050-2947

DOI
Half-Metallic Sandwich Molecular Wires with Negative Differential Resistance and Sign-Reversible High Spin-Filter Efficiency

Wang, L; Gao, XF; Yan, X; Zhou, J; Gao, ZX; Nagase, S; Sanvito, S; Maeda, Y; Akasaka, T; Mei, WN; L … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 50 ) 21893 - 21899 2010年12月23日

ISSN: 1932-7447

DOI
Thermal Carbosilylation of Endohedral Dimetallofullerene La2@Ih-C80 with Silirane

Yamada, M; Minowa, M; Sato, S; Kako, M; Slanina, Z; Mizorogi, N; Tsuchiya, T; Maeda, Y; Nagase, S; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 50 ) 17953 - 17960 2010年12月22日

ISSN: 0002-7863

DOI
Improvement of power conversion efficiency of phthalocyanine/C60 heterojunction solar cells by inserting a lithium phthalocyanine layer at the indium-tin oxide/phthalocyanine interface

Tanaka, S; Hanada, T; Ono, K; Watanabe, K; Yoshino, K; Hiromitsu, I

APPLIED PHYSICS LETTERS 97 ( 25 ) 2010年12月20日

ISSN: 0003-6951

DOI
Mechanistic Study on the Gold-Catalyzed C-S Bond Formation of α-Thioallenes To Form 2,5-Dihydrothiophenes

Ando, K

JOURNAL OF ORGANIC CHEMISTRY 75 ( 24 ) 8516 - 8521 2010年12月17日

ISSN: 0022-3263

DOI
Determination of Protein Surface Hydration Shell Free Energy of Water Motion: Theoretical Study and Molecular Dynamics Simulation

Sheu, SY; Yang, DY

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 49 ) 16558 - 16566 2010年12月16日

ISSN: 1520-6106

DOI
Theoretical Study on the Electronic Configurations and Nature of Chemical Bonds of Dirhodium Tetraacetato Complexes [Rh2(CH3COO)4(L)2] (L = H2O, Free): Broken Symmetry Approach

Kataoka, Y; Kitagawa, Y; Saito, T; Nakanishi, Y; Matsui, T; Sato, K; Miyazaki, Y; Kawakami, T; Okum … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83 ( 12 ) 1481 - 1488 2010年12月15日

ISSN: 0009-2673

DOI
Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds

Lei, H; Guo, JD; Fettinger, JC; Nagase, S; Power, PP

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 49 ) 17399 - 17401 2010年12月15日

ISSN: 0002-7863

DOI
Strong electron correlations in FeSb2: An optical investigation and comparison with RuSb2

Herzog, A; Marutzky, M; Sichelschmidt, J; Steglich, F; Kimura, S; Johnsen, S; Iversen, BB

PHYSICAL REVIEW B 82 ( 24 ) 2010年12月14日

ISSN: 1098-0121

DOI
Density Functional Theory Study of Catechol Adhesion on Silica Surfaces

Mian, SA; Saha, LC; Jang, J; Wang, L; Gao, XF; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 48 ) 20793 - 20800 2010年12月09日

ISSN: 1932-7447

DOI
Effects of Nonadditive Interactions on Ion Solvation at the Water/Vapor Interface: A Molecular Dynamics Study

Yagasaki, T; Saito, S; Ohmine, I

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 48 ) 12573 - 12584 2010年12月09日

ISSN: 1089-5639

DOI
Ultraviolet photoelectron spectra of mono-metal endohedral fullerene Er@C82 (I)

Miyazaki, T; Sumii, R; Umemoto, H; Okimoto, H; Ito, Y; Sugai, T; Shinohara, H; Hino, S

CHEMICAL PHYSICS 378 ( 1-3 ) 11 - 13 2010年12月09日

ISSN: 0301-0104

DOI
Vibronic coupling in C60- anion revisited: Derivations from photoelectron spectra and DFT calculations

Iwahara, N; Sato, T; Tanaka, K; Chibotaru, LF

PHYSICAL REVIEW B 82 ( 24 ) 2010年12月09日

ISSN: 1098-0121

DOI
Early-Stage Dynamics of Light-Matter Interaction Leading to the Insulator-to-Metal Transition in a Charge Ordered Organic Crystal

Kawakami, Y; Fukatsu, T; Sakurai, Y; Unno, H; Itoh, H; Iwai, S; Sasaki, T; Yamamoto, K; Yakushi, K; … 全著者表示

PHYSICAL REVIEW LETTERS 105 ( 24 ) 2010年12月07日

ISSN: 0031-9007

DOI
Approximate spin-projected spin-unrestricted density functional theory method: Application to the diradical character dependences of the (hyper) polarizabilities in p-quinodimethane models

Nakano, M; Minami, T; Fukui, H; Yoneda, K; Shigeta, Y; Kishi, R; Champagne, B; Botek, E

CHEMICAL PHYSICS LETTERS 501 ( 1-3 ) 140 - 145 2010年12月06日

ISSN: 0009-2614

DOI
Primary Events of Photodynamics in Reversible Photoswitching Fluorescent Protein Dronpa

Li, X; Chung, LW; Mizuno, H; Miyawaki, A; Morokuma, K

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1 ( 23 ) 3328 - 3333 2010年12月02日

ISSN: 1948-7185

DOI
Novel TiO2/ZnO multilayer mirrors at 'water-window' wavelengths fabricated by atomic layer epitaxy

Kumagai, H; Tanaka, Y; Murata, M; Masuda, Y; Shinagawa, T

JOURNAL OF PHYSICS-CONDENSED MATTER 22 ( 47 ) 2010年12月01日

ISSN: 0953-8984

DOI
Relation between the Conformational Heterogeneity and Reaction Cycle of Ras Molecular Simulation of Ras

Kobayashi, C; Saito, S

BIOPHYSICAL JOURNAL 99 ( 11 ) 3726 - 3734 2010年12月01日

ISSN: 0006-3495

DOI
Angle-resolved photoemission study of heavily electron-doped BaFe2-xCoxAs2

Sekiba, Y; Sato, T; Nakayama, K; Terashima, K; Richard, P; Bowen, JH; Ding, H; Xu, YM; Li, LJ; Cao, … 全著者表示

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 470 S394 - S396 2010年12月

ISSN: 0921-4534

DOI
DFT Calculations for the Heterojunction Effect Between Metal Clusters and the Stabilizer Molecules

Okumura, M; Kitagawa, Y; Kawakami, T

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110 ( 15 ) 2903 - 2911 2010年12月

ISSN: 0020-7608

DOI
Development of Approximately Spin Projected Energy Derivatives for Biradical Systems

Kitagawa, Y; Saito, T; Nakanishi, Y; Kataoka, Y; Matsui, T; Kawakami, T; Okumura, M; Yamaguchis, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110 ( 15 ) 3053 - 3060 2010年12月

ISSN: 0020-7608

DOI
High-resolution ARPES study of electron-doped Fe-based superconductor BaFe1.85Co0.15AS2

Kawahara, T; Terashima, K; Sekiba, Y; Bowen, JH; Nakayama, K; Sato, T; Richard, P; Xu, YM; Li, LJ; … 全著者表示

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 470 S440 - S442 2010年12月

ISSN: 0921-4534

DOI
MECHANISM OF ELECTRICAL CONDUCTION THROUGH SINGLE OLIGOTHIOPHENE MOLECULES

Lee, SK; Yamada, R; Tada, H; Tanaka, S

FUNCTIONAL MATERIALS LETTERS 3 ( 4 ) 245 - 248 2010年12月

ISSN: 1793-6047

DOI
Nonlinear optical effects in trapping nanoparticles with femtosecond pulses

Jiang, YQ; Narushima, T; Okamoto, H

NATURE PHYSICS 6 ( 12 ) 1005 - 1009 2010年12月

ISSN: 1745-2473

DOI
Separation of metallic single-walled carbon nanotubes using various amines

Maeda, Y; Komoriya, K; Sode, K; Kanda, M; Yamada, M; Hasegawa, T; Akasaka, T; Lu, J; Nagase, S

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 247 ( 11-12 ) 2641 - 2644 2010年12月

ISSN: 0370-1972

DOI
Temperature- and Magnetic-Field-Dependent Optical Properties of Heavy Quasiparticles in YbIr2Si2

Iizuka, T; Kimura, S; Herzog, A; Sichelschmidt, J; Krellner, C; Geibel, C; Steglich, F

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 12 ) 2010年12月

ISSN: 0031-9015

DOI
Theory of Chemical Bonds in Metalloenzymes. XIV. Correspondence Between Magnetic Coupling Mode and Radical Coupling Mechanism in Hydroxylations with Methane Monooxygenase and Related Species

Saito, T; Shoji, M; Isobe, H; Yamanaka, S; Kitagawa, Y; Yamada, S; Kawakami, T; Okumura, M; Yamaguc … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110 ( 15 ) 2955 - 2981 2010年12月

ISSN: 0020-7608

DOI
Theory of Chemical Bonds in Metalloenzymes. XV. Local Singlet and Triplet Diradical Mechanisms for Radical Coupling Reactions in the Oxygen Evolution Complex

Yamaguchi, K; Shoji, M; Saito, T; Isobe, H; Nishihara, S; Koizumi, K; Yamada, S; Kawakami, T; Kitag … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110 ( 15 ) 3101 - 3128 2010年12月

ISSN: 0020-7608

DOI
UNO- and ULO-MRCC(Mk), AP-UCC and AP-UBD Approaches to Diradical Systems

Nishihara, S; Yamanaka, S; Saito, T; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110 ( 15 ) 3015 - 3026 2010年12月

ISSN: 0020-7608

DOI
Zero-point vacancies in the two-dimensional t-J2-J3-J4 model: 3He on graphite surface

Seki, K; Ohta, Y

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 470 S970 - S971 2010年12月

ISSN: 0921-4534

DOI
Mechanism of the Decrease in Catalytic Activity of Human Cytochrome P450 2C9 Polymorphic Variants Investigated by Computational Analysis

Sano, E; Li, WH; Yuki, H; Liu, XL; Furihata, T; Kobayashi, K; Chiba, K; Neya, S; Hoshino, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 31 ( 15 ) 2746 - 2758 2010年11月30日

ISSN: 0192-8651

DOI
HNK-1 Epitope-carrying Tenascin-C Spliced Variant Regulates the Proliferation of Mouse Embryonic Neural Stem Cells

Yagi, H; Yanagisawa, M; Suzuki, Y; Nakatani, Y; Ariga, T; Kato, K; Yu, RK

JOURNAL OF BIOLOGICAL CHEMISTRY 285 ( 48 ) 37293 - 37301 2010年11月26日

ISSN: 0021-9258

DOI
Local response dispersion method. II. Generalized multicenter interactions

Sato, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 133 ( 19 ) 2010年11月21日

ISSN: 0021-9606

DOI
Doppler effect in fragment autoionization following core-to-valence excitation in O2

Guillemin, R; Simon, M; Shigemasa, E

PHYSICAL REVIEW A 82 ( 5 ) 2010年11月19日

ISSN: 1050-2947

DOI
Double Core Hole Creation and Subsequent Auger Decay in NH3 and CH4 Molecules

Eland, JHD; Tashiro, M; Linusson, P; Ehara, M; Ueda, K; Feifel, R

PHYSICAL REVIEW LETTERS 105 ( 21 ) 2010年11月19日

ISSN: 0031-9007

DOI
Multireference Character of 1,3-Dipolar Cycloaddition of Ozone with Ethylene and Acrylonitrile

Saito, T; Nishihara, S; Kataoka, Y; Nakanishi, Y; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 45 ) 12116 - 12123 2010年11月18日

ISSN: 1089-5639

DOI
Dynamic Structure of Bombolitin II Bound to Lipid Bilayers as Revealed by Solid-state NMR and Molecular-Dynamics Simulation

Toraya, S; Javkhlantugs, N; Mishima, D; Nishimura, K; Ueda, K; Naito, A

BIOPHYSICAL JOURNAL 99 ( 10 ) 3282 - 3289 2010年11月17日

ISSN: 0006-3495

DOI
Energy- and angle-dependent threshold photoemission magnetic circular dichroism from an ultrathin Co/Pt(111) film

Hild, K; Schönhense, G; Elmers, HJ; Nakagawa, T; Yokoyama, T; Tarafder, K; Oppeneer, PM

PHYSICAL REVIEW B 82 ( 19 ) 2010年11月15日

ISSN: 1098-0121

DOI
Application of second-order Moller-Plesset perturbation theory with resolution-of-identity approximation to periodic systems

Katouda, M; Nagase, S

JOURNAL OF CHEMICAL PHYSICS 133 ( 18 ) 2010年11月14日

ISSN: 0021-9606

DOI
Divide-and-conquer self-consistent field calculation for open-shell systems: Implementation and application

Kobayashi, M; Yoshikawa, T; Nakai, H

CHEMICAL PHYSICS LETTERS 500 ( 1-3 ) 172 - 177 2010年11月10日

ISSN: 0009-2614

DOI
N-Formylation of Amines Catalyzed by Nanogold under Aerobic Oxidation Conditions with MeOH or Forma

Preedasuriyachai, P; Kitahara, H; Chavasiri, W; Sakurai, H

CHEMISTRY LETTERS 39 ( 11 ) 1174 - 1176 2010年11月05日

ISSN: 0366-7022

DOI
Redox Behavior of Ruthenium(Bipyridine)(Terpyridine)(Carbonyl) Complex-modified Carbon Electrode and Reactivity toward Electrochemical Reduction of CO2

Tsukahara, Y; Wada, T; Tanaka, K

CHEMISTRY LETTERS 39 ( 11 ) 1134 - 1135 2010年11月05日

ISSN: 0366-7022

DOI
Theoretical Studies on Myers-Saito and Schmittel Cyclization Mechanisms of Hepta-1,2,4-triene-6-yne

Sakai, S; Nishitani, M

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 43 ) 11807 - 11813 2010年11月04日

ISSN: 1089-5639

DOI
First Direct Visualization of Spillover Species Emitted from Pt Nanoparticles

Takakusagi, S; Fukui, K; Tero, R; Asakura, K; Iwasawa, Y

LANGMUIR 26 ( 21 ) 16392 - 16396 2010年11月02日

ISSN: 0743-7463

DOI
CO2 separation membranes using ionic liquids in a Nafion matrix

Yoo, S; Won, J; Kang, SW; Kang, YS; Nagase, S

JOURNAL OF MEMBRANE SCIENCE 363 ( 1-2 ) 72 - 79 2010年11月01日

ISSN: 0376-7388

DOI
Band Alignment Tuning in Twin-Plane Superlattices of Semiconductor Nanowires

Akiyama, T; Yamashita, T; Nakamura, K; Ito, T

NANO LETTERS 10 ( 11 ) 4614 - 4618 2010年11月

ISSN: 1530-6984

DOI
Computational analysis of water residence on ceramide and sphingomyelin bilayer membranes

Imai, Y; Liu, XL; Yamagishi, J; Mori, K; Neya, S; Hoshino, T

JOURNAL OF MOLECULAR GRAPHICS & MODELLING 29 ( 3 ) 461 - 469 2010年11月

ISSN: 1093-3263

DOI
Diblock Copolymer of Bacterial Cellulose and Poly(methyl methacrylate) Initiated by Chain-End-Type Radicals Produced by Mechanical Scission of Glycosidic Linkages of Bacterial Cellulose

Sakaguchi, M; Ohura, T; Iwata, T; Takahashi, S; Akai, S; Kan, T; Murai, H; Fujiwara, M; Watanabe, O … 全著者表示

BIOMACROMOLECULES 11 ( 11 ) 3059 - 3066 2010年11月

ISSN: 1525-7797

DOI
Formal Lewis acidic character of gold nanocluster catalyst

Sakurai, H; Kamiya, I; Kitahara, H

PURE AND APPLIED CHEMISTRY 82 ( 11 ) 2005 - 2016 2010年11月

ISSN: 0033-4545

DOI
Ionization of the H atom in ultrashort chirped laser pulses

Prasad, V; Dahiya, B; Yamashita, K

PHYSICA SCRIPTA 82 ( 5 ) 2010年11月

ISSN: 0031-8949

DOI
Spin Dynamics of Charge Carriers in the Process of Their Localization in α′-(BEDT-TTF)2IBr2 Single Crystals

Morgunov, RB; Dmitriev, AI; Chernen'kaya, AS; Yakushi, K; Yamamoto, K; Tanimoto, Y

JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS 111 ( 5 ) 857 - 864 2010年11月

ISSN: 1063-7761

DOI
Coherent Correlation between Nonadiabatic Rotational Excitation and Angle-Dependent Ionization of NO in Intense Laser Fields

Itakura, R; Hasegawa, H; Kurosaki, Y; Yokoyama, A; Ohshima, Y

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 42 ) 11202 - 11209 2010年10月28日

ISSN: 1089-5639

DOI
Infrared and Electronic Spectroscopy of Benzene-Ammonia Cluster Radical Cations [C6H6(NH3)1,2]+: Observation of Isolated and Microsolvated σ-Complexes

Mizuse, K; Hasegawa, H; Mikami, N; Fujii, A

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 42 ) 11060 - 11069 2010年10月28日

ISSN: 1089-5639

DOI
Intra- and Intermolecular Charge Fluxes Induced by the OH Stretching Mode of Water and Their Effects on the Infrared Intensities and Intermolecular Vibrational Coupling

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 42 ) 13403 - 13409 2010年10月28日

ISSN: 1520-6106

DOI
Photoinduced coherent oscillations in the one-dimensional two-orbital Hubbard model

Maeshima, N; Hino, K; Yonemitsu, K

PHYSICAL REVIEW B 82 ( 16 ) 2010年10月27日

ISSN: 2469-9950

DOI
Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution

Hosoya, M; Otani, Y; Kawahata, M; Yamaguchi, K; Ohwada, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 42 ) 14780 - 14789 2010年10月27日

ISSN: 0002-7863

DOI
Atomic and electronic structures of α-Al2O3 surfaces

Kurita, T; Uchida, K; Oshiyama, A

PHYSICAL REVIEW B 82 ( 15 ) 2010年10月21日

ISSN: 2469-9950

DOI
Dissociation of core-valence doubly excited states in NO followed by atomic Auger decay

Hikosaka, Y; Kaneyasu, T; Matsushita, T; Tamenori, Y; Shigemasa, E

JOURNAL OF CHEMICAL PHYSICS 133 ( 15 ) 2010年10月21日

ISSN: 0021-9606

DOI
Giant electric field effect on the second hyperpolarizability of symmetric singlet diradical molecules

Nakano, M; Champagne, B; Botek, E; Ohta, K; Kamada, K; Kubo, T

JOURNAL OF CHEMICAL PHYSICS 133 ( 15 ) 2010年10月21日

ISSN: 0021-9606

DOI
Alternating Covalent Bonding Interactions in a One-Dimensional Chain of a Phenalenyl-Based Singlet Biradical Molecule Having Kekule Structures

Shimizu, A; Kubo, T; Uruichi, M; Yakushi, K; Nakano, M; Shiomi, D; Sato, K; Takui, T; Hirao, Y; Mat … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 41 ) 14421 - 14428 2010年10月20日

ISSN: 0002-7863

DOI
Multielectron spectroscopy: Auger decays of the krypton 3d hole

Palaudoux, J; Lablanquie, P; Andric, L; Ito, K; Shigemasa, E; Eland, JHD; Jonauskas, V; Kucas, S; K … 全著者表示

PHYSICAL REVIEW A 82 ( 4 ) 2010年10月19日

ISSN: 1050-2947

DOI
H2O2-Oxidation of Alcohols Promoted by Polymeric Phosphotungstate Catalysts

Yamada, YMA; Jin, CK; Uozumi, Y

ORGANIC LETTERS 12 ( 20 ) 4540 - 4543 2010年10月15日

ISSN: 1523-7060

DOI
Excited states and electronic spectra of extended tetraazaporphyrins

Fukuda, R; Ehara, M; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 133 ( 14 ) 2010年10月14日

ISSN: 0021-9606

DOI
A broken-symmetry study on the automerization of cyclobutadiene. Comparison with UNO- and DNO-MRCC methods

Saito, T; Nishihara, S; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 498 ( 4-6 ) 253 - 258 2010年10月08日

ISSN: 0009-2614

DOI
First-principles study of charge-density waves on Cu surfaces covered by In, Pb, and Bi atoms: Analysis of electronic structure and surface phonons

Ohto, T; Nojima, A; Yamashita, K; Nakamura, H

PHYSICAL REVIEW B 82 ( 15 ) 2010年10月08日

ISSN: 2469-9950

DOI
Near-field-induced optical force on a metal particle and C60: Real-time and real-space electron dynamics simulation

Iwasa, T; Nobusada, K

PHYSICAL REVIEW A 82 ( 4 ) 2010年10月08日

ISSN: 1050-2947

DOI
Projection of excited orbitals into kinetic energies of emitted electrons in resonant Si KLL Auger decays of SiF4

Suzuki, IH; Kono, Y; Ikeda, A; Ouchi, T; Ueda, K; Takahashi, O; Higuchi, I; Tamenori, Y; Nagaoka, S

PHYSICAL REVIEW A 82 ( 4 ) 2010年10月06日

ISSN: 1050-2947

DOI
Anomalous transport in an n-type topological insulator ultrathin Bi2Se3 film

Hirahara, T; Sakamoto, Y; Takeichi, Y; Miyazaki, H; Kimura, S; Matsuda, I; Kakizaki, A; Hasegawa, S

PHYSICAL REVIEW B 82 ( 15 ) 2010年10月05日

ISSN: 1098-0121

DOI
Novel Bis-fused π-Electron Donor Composed of Tetrathiafulvalene and Tetraselenafulvalene

Ashizawa, M; Ishidzu, K; Watanabe, M; Tanahashi, T; Shirahata, T; Kawamoto, T; Mori, T; Misaki, Y

CHEMISTRY LETTERS 39 ( 10 ) 1093 - 1095 2010年10月05日

ISSN: 0366-7022

DOI
A boron-containing molecule as an efficient electron-transporting material with low-power consumption

Shizu, K; Sato, T; Tanaka, K; Kaji, H

APPLIED PHYSICS LETTERS 97 ( 14 ) 2010年10月04日

ISSN: 0003-6951

DOI
1,4,5,8-Tetra-n-butylanthracene

Kitamura, C; Tsukuda, H; Kawase, T; Kobayashi, T; Naito, H

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 66 O2565 - U491 2010年10月

ISSN: 2056-9890

DOI
Field-Induced Successive Phase Transitions in the Charge Density Wave Organic Conductor HMTSF-TCNQ

Murata, K; Yokogawa, K; Kobayashi, K; Masuda, K; Sasaki, T; Seno, Y; Tamilselvan, NR; Yoshino, H; B … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 10 ) 2010年10月

ISSN: 0031-9015

DOI
Glycomic Analyses of Glycoproteins in Bile and Serum during Rat Hepatocarcinogenesis

Nakagawa, T; Takeishi, S; Kameyama, A; Yagi, H; Yoshioka, T; Moriwaki, K; Masuda, T; Matsumoto, H; … 全著者表示

JOURNAL OF PROTEOME RESEARCH 9 ( 10 ) 4888 - 4896 2010年10月

ISSN: 1535-3893

DOI
Molecular dynamics studies of slow dynamics in random media: Type A-B and reentrant transitions

Kim, K; Miyazaki, K; Saito, S

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 189 ( 1 ) 135 - 139 2010年10月

ISSN: 1951-6355

DOI
Relevance of Weak Hydrogen Bonds in the Conformation of Organic Compounds and Bioconjugates: Evidence from Recent Experimental Data and High-Level ab Initio MO Calculations

Takahashi, O; Kohno, Y; Nishio, M

CHEMICAL REVIEWS 110 ( 10 ) 6049 - 6076 2010年10月

ISSN: 0009-2665

DOI
Sequence-Dependent Proton-Transfer Reaction in Stacked GC Pair III: The Influence of Proton Transfer to Conductivity

Nakanishi, Y; Matsui, T; Shigeta, Y; Kitagawa, Y; Saito, T; Kataoka, Y; Kawakami, T; Okumura, M; Ya … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110 ( 12 ) 2221 - 2230 2010年10月

ISSN: 0020-7608

DOI
Unusual Energy Balance Between Atoms in Postperovskite MgSiO3

Hirate, H; Sawai, H; Saito, Y; Yukawa, H; Morinaga, M; Nakai, H

JOURNAL OF THE AMERICAN CERAMIC SOCIETY 93 ( 10 ) 3449 - 3454 2010年10月

ISSN: 0002-7820

DOI
Laser-induced narrowband coherent synchrotron radiation: Efficiency versus frequency and laser power

Evain, C; Szwaj, C; Bielawski, S; Hosaka, M; Takashima, Y; Shimada, M; Kimura, S; Katoh, M; Mochiha … 全著者表示

PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS 13 ( 9 ) 2010年09月27日

ISSN: 1098-4402

DOI
Strong-field photoionization of O2 at intermediate light intensity

Kloda, T; Matsuda, A; Karlsson, HO; Elshakre, M; Linusson, P; Eland, JHD; Feifel, R; Hansson, T

PHYSICAL REVIEW A 82 ( 3 ) 2010年09月27日

ISSN: 1050-2947

DOI
Crystal structure of cyclic Lys48-linked tetraubiquitin

Satoh, T; Sakata, E; Yamamoto, S; Yamaguchi, Y; Sumiyoshi, A; Wakatsuki, S; Kato, K

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 400 ( 3 ) 329 - 333 2010年09月24日

ISSN: 0006-291X

DOI
Functionalized Metallic Single-Walled Carbon Nanotubes as a High-Performance Single-Molecule Organic Field Effect Transistor: An ab Initio Study

Li, H; Yan, X; Luo, GF; Qin, R; Liu, QH; Yu, LL; Xu, CY; Zheng, JX; Zhou, J; Lu, J; Gao, ZX; Nagase … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 37 ) 15816 - 15822 2010年09月23日

ISSN: 1932-7447

DOI
Multiphoton Double Ionization of Ar in Intense Extreme Ultraviolet Laser Fields Studied by Shot-by-Shot Photoelectron Spectroscopy

Hikosaka, Y; Fushitani, M; Matsuda, A; Tseng, CM; Hishikawa, A; Shigemasa, E; Nagasono, M; Tono, K; … 全著者表示

PHYSICAL REVIEW LETTERS 105 ( 13 ) 2010年09月21日

ISSN: 0031-9007

DOI
Argon Solid Response upon Rydberg Photoexcitation of the NO Chromosphore: Case of Using ab Initio Potential Energy Surfaces and Comparison to Similar Studied Systems

Castro-Palacio, JC; Ishii, K; Ayala-Mató, F; Rubayo-Soneira, J; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 36 ) 9673 - 9680 2010年09月16日

ISSN: 1089-5639

DOI
Clustering effects of GM1 and formation mechanisms of interdigitated liquid disordered domains in GM1/SM/CHOL-supported planar bilayers on mica surfaces

Shang, ZG; Mao, YL; Tero, R; Liu, XL; Hoshino, T; Tanaka, M; Urisu, T

CHEMICAL PHYSICS LETTERS 497 ( 1-3 ) 108 - 114 2010年09月10日

ISSN: 0009-2614

DOI
Communication: Novel quantum states of electron spins in polycarbenes from ab initio density matrix renormalization group calculations

Mizukami, W; Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL PHYSICS 133 ( 9 ) 2010年09月07日

ISSN: 0021-9606

DOI
Morphology of Rare-earth (Y, Sm) Nanostructures Synthesized by the Surfactant-assembled Method

Nishiyama, K; Hanamoto, T; Shigematsu, H; Kitada, K; Iketaki, K; Kaji, T; Hiramoto, M

CHEMISTRY LETTERS 39 ( 9 ) 974 - 975 2010年09月05日

ISSN: 0366-7022

DOI
K2Cr8O16 predicted as a half-metallic ferromagnet: Scenario for a metal-insulator transition (vol 80, 024416, 2009)

Sakamaki, M; Konishi, T; Ohta, Y

PHYSICAL REVIEW B 82 ( 9 ) 2010年09月03日

ISSN: 1098-0121

DOI
Photochemical Addition of C60 with Siliranes: Synthesis and Characterization of Carbosilylated and Hydrosilylated C60 Derivatives

Nagatsuka, J; Sugitani, S; Kako, M; Nakahodo, T; Mizorogi, N; Ishitsuka, MO; Maeda, Y; Tsuchiya, T; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 34 ) 12106 - 12120 2010年09月01日

ISSN: 0002-7863

DOI
1,4,5,8-Tetraisopropylanthracene

Kitamura, C; Tsukuda, H; Kawase, T; Kobayashi, T; Naito, H

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 66 O2222 - U1544 2010年09月

ISSN: 2056-9890

DOI
Ab initio-based approach to structural modulation on 4H-SiC(1 1 (2)over-bar 0) during MBE growth

Ito, T; Ito, T; Akiyama, T; Nakamura, K

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 42 ( 10 ) 2788 - 2791 2010年09月

ISSN: 1386-9477

DOI
Ab initio-based approach to the reconstruction on InAs(1 1 1)A wetting layer grown on GaAs substrate

Ishimure, N; Akiyama, T; Nakamura, K; Ito, T

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 42 ( 10 ) 2731 - 2734 2010年09月

ISSN: 1386-9477

DOI
How does a choice of Markov partition affect the resultant symbolic dynamics?

Teramoto, H; Komatsuzaki, T

CHAOS 20 ( 3 ) 2010年09月

ISSN: 1054-1500

DOI
Polarization dependence of the fundamental absorption edge and the Urbach rule in PbMoO4 crystals

Fujita, M; Itoh, M

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 247 ( 9 ) 2240 - 2243 2010年09月

ISSN: 0370-1972

DOI
Remaining noise-induced spatiotemporal dynamics in a free electron laser stabilized by feedback control

Szwaj, C; Bielawski, S; Couprie, ME; Bruni, C; Hosaka, M; Mochihashi, A; Katoh, M

EUROPEAN PHYSICAL JOURNAL D 59 ( 3 ) 451 - 455 2010年09月

ISSN: 1434-6060

DOI
Role of the Lifetime of Dynamical Heterogeneity in the Frequency-Dependent Stokes-Einstein Relation of Supercooled Liquids

Kim, K; Saito, S

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 9 ) 2010年09月

ISSN: 0031-9015

DOI
Theoretical investigation on the structural stability of GaAs nanowires with two different types of facets

Yamashita, T; Akiyama, T; Nakamura, K; Ito, T

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 42 ( 10 ) 2727 - 2730 2010年09月

ISSN: 1386-9477

DOI
LiH potential energy curves for ground and excited states with the free complement local Schrodinger equation method

Bande, A; Nakashima, H; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 496 ( 4-6 ) 347 - 350 2010年08月30日

ISSN: 0009-2614

DOI
Theoretical studies of the effect of orientation of ligands and spin contamination error on the chemical bonding in the FeO2 core in oxymyoglobin

Saito, T; Kataoka, Y; Nakanishi, Y; Matsui, T; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 954 ( 1-3 ) 98 - 104 2010年08月30日

ISSN: 0166-1280

DOI
Communication: Mass-analyzed velocity map imaging of thermal photofragments from C60

Katayanagi, H; Mitsuke, K

JOURNAL OF CHEMICAL PHYSICS 133 ( 8 ) 2010年08月28日

ISSN: 0021-9606

DOI
Nonuniform site-charge distribution and fluctuations of charge order in the metallic state of α-(BEDT-TTF)2I3

Yue, Y; Yamamoto, K; Uruichi, M; Nakano, C; Yakushi, K; Yamada, S; Hiejima, T; Kawamoto, A

PHYSICAL REVIEW B 82 ( 7 ) 2010年08月26日

ISSN: 2469-9950

DOI
Vibrational Scattering Anisotropy Generated by Multichannel Quantum Interference

Miron, C; Kimberg, V; Morin, P; Nicolas, C; Kosugi, N; Gavrilyuk, S; Gel'mukhanov, F

PHYSICAL REVIEW LETTERS 105 ( 9 ) 2010年08月26日

ISSN: 0031-9007

DOI
Molecular dynamics study of solubilization of immiscible solutes by a micelle: Free energy of transfer of alkanes from water to the micelle core by thermodynamic integration method

Fujimoto, K; Yoshii, N; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 133 ( 7 ) 2010年08月21日

ISSN: 0021-9606

DOI
Double core-hole electron spectroscopy for open-shell molecules: Theoretical perspective

Tashiro, M; Ehara, M; Ueda, K

CHEMICAL PHYSICS LETTERS 496 ( 1-3 ) 217 - 222 2010年08月20日

ISSN: 0009-2614

DOI
Redox-Dependent Domain Rearrangement of Protein Disulfide Isomerase from a Thermophilic Fungus

Nakasako, M; Maeno, A; Kurimoto, E; Harada, T; Yamaguchi, Y; Oka, T; Takayama, Y; Iwata, A; Kato, K

BIOCHEMISTRY 49 ( 32 ) 6953 - 6962 2010年08月17日

ISSN: 0006-2960

DOI
Surface-Mediated Design and Catalytic Properties of Active Metal Complexes for Advanced Catalysis Creation

Tada, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83 ( 8 ) 855 - 876 2010年08月15日

ISSN: 0009-2673

DOI
Theoretical Study of Hypervalent Bonds in 1,6-Diaza-1,6-dihydro- and 1,6-Dihydro-1,6-dioxapentalene Systems with a Heteroatom X at 6a Position (X=14-16 Group Atoms)

Atsumi, T; Abe, T; Akiba, K; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83 ( 8 ) 892 - 899 2010年08月15日

ISSN: 0009-2673

DOI
Hydrogen Production from Water Using Novel Three-dimensional Interpenetrated Zn-Pd Coordination Polymer

Miyazaki, Y; Kataoka, Y; Kitagawa, Y; Okumura, M; Mori, W

CHEMISTRY LETTERS 39 ( 8 ) 878 - 880 2010年08月05日

ISSN: 0366-7022

DOI
Reinvestigation of the Reaction of Ethylene and Singlet Oxygen by the Approximate Spin Projection Method. Comparison with Multireference Coupled-Cluster Calculations

Saito, T; Nishihara, S; Kataoka, Y; Nakanishi, Y; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 30 ) 7967 - 7974 2010年08月05日

ISSN: 1089-5639

DOI
Structure and Photovoltaic Properties of (E)-2-Cyano-3[4-(diphenylamino)phenyl]acrylic Acid Substituted by tert-Butyl Groups

Ono, K; Yamaguchi, T; Tomura, M

CHEMISTRY LETTERS 39 ( 8 ) 864 - 866 2010年08月05日

ISSN: 0366-7022

DOI
Copper-Catalyzed Enantioselective Propargylic Amination of Propargylic Esters with Amines: Copper-Allenylidene Complexes as Key Intermediates

Hattori, G; Sakata, K; Matsuzawa, H; Tanabe, Y; Miyake, Y; Nishibayashi, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 30 ) 10592 - 10608 2010年08月04日

ISSN: 0002-7863

DOI
Mutational deglycosylation of the Fc portion of immunoglobulin G causes O-sulfation of tyrosine adjacently preceding the originally glycosylated site

Masuda, K; Yamaguchi, Y; Takahashi, N; Jefferis, R; Kato, K

FEBS LETTERS 584 ( 15 ) 3474 - 3479 2010年08月04日

ISSN: 1873-3468

DOI
Aβ polymerization through interaction with membrane gangliosides

Matsuzaki, K; Kato, K; Yanagisawa, K

BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS 1801 ( 8 ) 868 - 877 2010年08月

ISSN: 1388-1981

DOI
Lysosome-associated membrane protein 1 is a major SSEA-1-carrier protein in mouse neural stem cells

Yagi, H; Yanagisawa, M; Kato, K; Yu, RK

GLYCOBIOLOGY 20 ( 8 ) 976 - 981 2010年08月

ISSN: 0959-6658

DOI
Magnetic circular dichroism study of ultrathin Ni films by threshold photoemission and angle resolved photoemission spectroscopy

Nakagawa, T; Yamamoto, I; Takagi, Y; Yokoyama, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 181 ( 2-3 ) 164 - 167 2010年08月

ISSN: 0368-2048

DOI
One Month Continuous Operation of Organic p-i-n Solar Cells Covered with a Zinc Oxide Protection Layer

Hiramoto, M; Shiokawa, H

APPLIED PHYSICS EXPRESS 3 ( 8 ) 2010年08月

ISSN: 1882-0778

DOI
Spin Torque and Zeta Force of Dimer of Alkali Atoms

Senami, M; Nishikawa, J; Hara, T; Tachibana, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 8 ) 2010年08月

ISSN: 0031-9015

DOI
Stabilization Mechanism of Vacancies in Group-III Nitrides: Exchange Splitting and Electron Transfer

Gohda, Y; Oshiyama, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 8 ) 2010年08月

ISSN: 0031-9015

DOI
Two-electron emissions on atomic photoabsorption studied by multi-electron coincidence spectroscopy

Hikosaka, Y; Lablanquie, P; Penent, F; Shigemasa, E; Eland, JHD; Ito, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 181 ( 2-3 ) 121 - 124 2010年08月

ISSN: 0368-2048

DOI
DFT-Based Theoretical Calculations of Nb- and W-Doped Anatase TiO2: Complex Formation between W Dopants and Oxygen Vacancies

Kamisaka, H; Suenaga, T; Nakamura, H; Yamashita, K

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 29 ) 12777 - 12783 2010年07月29日

ISSN: 1932-7447

DOI
Methanol solvation of the Ag+ ion probed with infrared photodissociation spectroscopy of Ag+(CH3OH)n (n=1-5)

Furukawa, K; Ohashi, K; Imamura, T; Sasaki, J; Judai, K; Nishi, N; Sekiya, H

CHEMICAL PHYSICS LETTERS 495 ( 1-3 ) 8 - 13 2010年07月29日

ISSN: 0009-2614

DOI
Possibility of multi-conformational structure of mismatch DNA nucleobase in the presence of silver(I) ions

Miyachi, H; Matsui, T; Shigeta, Y; Yamashita, K; Hirao, K

CHEMICAL PHYSICS LETTERS 495 ( 1-3 ) 125 - 130 2010年07月29日

ISSN: 0009-2614

DOI
Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. I. Free energy perturbation and thermodynamic integration along a coupling parameter

Miyata, T; Ikuta, Y; Hirata, F

JOURNAL OF CHEMICAL PHYSICS 133 ( 4 ) 2010年07月28日

ISSN: 0021-9606

DOI
Multi-time density correlation functions in glass-forming liquids: Probing dynamical heterogeneity and its lifetime

Kim, K; Saito, S

JOURNAL OF CHEMICAL PHYSICS 133 ( 4 ) 2010年07月28日

ISSN: 0021-9606

DOI
Site-Specific Geometric and Electronic Relaxations at Organic-Metal Interfaces

Yamane, H; Gerlach, A; Duhm, S; Tanaka, Y; Hosokai, T; Mi, YY; Zegenhagen, J; Koch, N; Seki, K; Sch … 全著者表示

PHYSICAL REVIEW LETTERS 105 ( 4 ) 2010年07月23日

ISSN: 0031-9007

DOI
Intermolecular charge flux as the origin of infrared intensity enhancement upon halogen-bond formation of the peptide group

Torii, H

JOURNAL OF CHEMICAL PHYSICS 133 ( 3 ) 2010年07月21日

ISSN: 0021-9606

DOI
Proton Transport through the Influenza A M2 Channel: Three-Dimensional Reference Interaction Site Model Study

Phongphanphanee, S; Rungrotmongkol, T; Yoshida, N; Hannongbua, S; Hirata, F

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 28 ) 9782 - 9788 2010年07月21日

ISSN: 0002-7863

DOI
First-principles study of structural and electronic properties of ultrathin silicon nanosheets

Morishita, T; Russo, SP; Snook, IK; Spencer, MJS; Nishio, K; Mikami, M

PHYSICAL REVIEW B 82 ( 4 ) 2010年07月20日

ISSN: 1098-0121

DOI
Ab initio molecular orbital study of dinitrobenzene radical anions

Kayanuma, M; Hosoi, H; Furuya, A; Masuda, Y; Takano, K

CHEMICAL PHYSICS LETTERS 494 ( 4-6 ) 139 - 143 2010年07月19日

ISSN: 0009-2614

DOI
Single-Component Molecular Conductor [Cu(tmdt)2] Containing an Antiferromagnetic Heisenberg Chain

Zhou, BA; Yajima, H; Kobayashi, A; Okano, Y; Tanaka, H; Kumashiro, T; Nishibori, E; Sawa, H; Kobaya … 全著者表示

INORGANIC CHEMISTRY 49 ( 14 ) 6740 - 6747 2010年07月19日

ISSN: 0020-1669

DOI
Spectral phase transfer to ultrashort UV pulses through four-wave mixing

Zuo, P; Fuji, T; Suzuki, T

OPTICS EXPRESS 18 ( 15 ) 16183 - 16192 2010年07月19日

ISSN: 1094-4087

DOI
Unique Properties and Reactivity of High-Valent Manganese-Oxo versus Manganese-Hydroxo in the Salen Platform

Kurahashi, T; Kikuchi, A; Shiro, Y; Hada, M; Fujii, H

INORGANIC CHEMISTRY 49 ( 14 ) 6664 - 6672 2010年07月19日

ISSN: 0020-1669

DOI
CH/π Interaction on the Structure of N-Substituted-4-phenyltetrahydroisoquinoline Derivatives

Suezawa, H; Yuzuri, T; Kohno, Y; Yamaguchi, Y; Asami, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83 ( 7 ) 802 - 808 2010年07月15日

ISSN: 0009-2673

DOI
Synthesis and Structures of Lithium Salts of Stannole Anions

Saito, M; Kuwabara, T; Ishimura, K; Nagase, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83 ( 7 ) 825 - 827 2010年07月15日

ISSN: 0009-2673

DOI
Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: Theory of the solvent effect on the electronic excitation of molecules in solution

Cammi, R; Fukuda, R; Ehara, M; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 133 ( 2 ) 2010年07月14日

ISSN: 0021-9606

DOI
Molecular Insight into Intrinsic Heme Distortion in Ligand Binding in Hemoprotein

Neya, S; Suzuki, M; Hoshino, T; Ode, H; Imai, K; Komatsu, T; Ikezaki, A; Nakamura, M; Furutani, Y; … 全著者表示

BIOCHEMISTRY 49 ( 27 ) 5642 - 5650 2010年07月13日

ISSN: 0006-2960

DOI
A Molecular Ce2@Ih-C80 Switch-Unprecedented Oxidative Pathway in Photoinduced Charge Transfer Reactivity

Guldi, DM; Feng, L; Radhakrishnan, SG; Nikawa, H; Yamada, M; Mizorogi, N; Tsuchiya, T; Akasaka, T; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 26 ) 9078 - 9086 2010年07月07日

ISSN: 0002-7863

DOI
CMPs as Scaffolds for Constructing Porous Catalytic Frameworks: A Built-in Heterogeneous Catalyst with High Activity and Selectivity Based on Nanoporous Metalloporphyrin Polymers

Chen, L; Yang, Y; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 26 ) 9138 - 9143 2010年07月07日

ISSN: 0002-7863

DOI
Temperature dependence of vibrational frequency fluctuation of N3- in D2O

Tayama, J; Ishihara, A; Banno, M; Ohta, K; Saito, S; Tominaga, K

JOURNAL OF CHEMICAL PHYSICS 133 ( 1 ) 2010年07月07日

ISSN: 0021-9606

DOI
Properties of Thiol End-Capped and Iodine-Doped Sexithiophene Disulfide Semiconducting Polymers Bridging Nanogap Gold Electrodes

Huang, W; Tanaka, H; Ogawa, T; You, XZ

ADVANCED MATERIALS 22 ( 25 ) 2753 - + 2010年07月06日

ISSN: 0935-9648

DOI
Synthesis and Crystal Structures of 1,4,8,11-Tetraalkyl-6,13-diphenylpentacenes

Kitamura, C; Naito, T; Yoneda, A; Kawase, T; Komatsu, T

CHEMISTRY LETTERS 39 ( 7 ) 771 - 773 2010年07月05日

ISSN: 0366-7022

DOI
Synthesis, Structure, and Reaction of Tetraethyldilithiostannole

Saito, M; Kuwabara, T; Kambayashi, C; Yoshioka, M; Ishimura, K; Nagase, S

CHEMISTRY LETTERS 39 ( 7 ) 700 - 701 2010年07月05日

ISSN: 0366-7022

DOI
Theoretical Studies of the Mechanism of Proton Transfer at the Surface of Zirconium Phosphate

Ogawa, T; Ushiyama, H; Yamashita, K; Lee, JM; Yamaguchi, T

CHEMISTRY LETTERS 39 ( 7 ) 736 - 737 2010年07月05日

ISSN: 0366-7022

DOI
Stereoselective Cyclotrimerization of Enantiopure Iodonorbornenes Catalyzed by Pd Nanoclusters for C3 or C3v Symmetric syn-Tris(norborneno)benzenes

Higashibayashi, S; Reza, AFGM; Sakurai, H

JOURNAL OF ORGANIC CHEMISTRY 75 ( 13 ) 4626 - 4628 2010年07月02日

ISSN: 0022-3263

DOI
Inner-shell excitation and fragmentation of small acetaldehyde clusters at the oxygen K-edge

Tabayashi, K; Chohda, M; Yamanaka, T; Takahashi, O; Yoshida, H

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 619 ( 1-3 ) 388 - 392 2010年07月01日

ISSN: 0168-9002

DOI
Simultaneous Interactions of Ru Dye with Iodide Ions and Nitrogen-Containing Heterocycles in Dye-Sensitized Solar Cells

Kusama, H; Sugihara, H; Sayama, K

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 25 ) 11335 - 11341 2010年07月01日

ISSN: 1932-7447

DOI
Generalized Moller-Plesset Partitioning in Multiconfiguration Perturbation Theory

Kobayashi, M; Szabados, A; Nakai, H; Surján, PR

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 6 ( 7 ) 2024 - 2033 2010年07月

ISSN: 1549-9618

DOI
Intrinsic Luminescence from Self-Trapped Excitons in Bi4Ge3O12 and Bi12GeO20: Decay Kinetics and Multiplication of Electronic Excitations

Itoh, M; Katagiri, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 7 ) 2010年07月

ISSN: 0031-9015

DOI
Ground states and the critical behavior in the quasi-one-dimensional complexes (TMTTF)2[(AsF6)x(SbF6)1-x]

Iwase, F; Sugiura, K; Furukawa, K; Nakamura, T

PHYSICAL REVIEW B 81 ( 24 ) 2010年06月25日

ISSN: 2469-9950

DOI
Spin reorientation transitions of Ni/Pd(111) films induced by Fe deposition

Yamamoto, I; Nakagawa, T; Takagi, Y; Yokoyama, T

PHYSICAL REVIEW B 81 ( 21 ) 2010年06月25日

ISSN: 1098-0121

DOI
Three-body interactions in clusters CO-(pH2)n

Manzhos, S; Nakai, K; Yamashita, K

CHEMICAL PHYSICS LETTERS 493 ( 4-6 ) 229 - 233 2010年06月25日

ISSN: 0009-2614

DOI
Theoretical and Experimental Studies on Reaction Mechanism for Aerobic Alcohol Oxidation by Supported Ruthenium Hydroxide Catalysts

Nikaidou, F; Ushiyama, H; Yamaguchi, K; Yamashita, K; Mizuno, N

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 24 ) 10873 - 10880 2010年06月24日

ISSN: 1932-7447

DOI
Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory

Phongphanphanee, S; Yoshida, N; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 23 ) 7967 - 7973 2010年06月17日

ISSN: 1520-6106

DOI
Optical modification of the vibrational distribution of the iodine molecule

Goto, H; Katsuki, H; Ohmori, K

CHEMICAL PHYSICS LETTERS 493 ( 1-3 ) 170 - 172 2010年06月17日

ISSN: 0009-2614

DOI
Reactant-Promoted Oxygen Dissociation on Gold Clusters

Lyalin, A; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1 ( 12 ) 1752 - 1757 2010年06月17日

ISSN: 1948-7185

DOI
Surface reconstruction and magnesium incorporation on semipolar GaN(1(1)over-bar01) surfaces

Akiyama, T; Ammi, D; Nakamura, K; Ito, T

PHYSICAL REVIEW B 81 ( 24 ) 2010年06月17日

ISSN: 2469-9950

DOI
Theoretical investigation on the second hyperpolarizabilities of open-shell singlet systems by spin-unrestricted density functional theory with long-range correction: Range separating parameter dependence

Bonness, S; Fukui, H; Yoneda, K; Kishi, R; Champagne, B; Botek, E; Nakano, M

CHEMICAL PHYSICS LETTERS 493 ( 1-3 ) 195 - 199 2010年06月17日

ISSN: 0009-2614

DOI
Donor-Acceptor Conjugates of Lanthanum Endohedral Metallofullerene and π-Extended Tetrathiafulvalene

Takano, Y; Herranz, MA; Martín, N; Radhakrishnan, SG; Guldi, DM; Tsuchiya, T; Nagase, S; Akasaka, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 23 ) 8048 - 8055 2010年06月16日

ISSN: 0002-7863

DOI
Doppler effect in fragment autoionization following core-to-Rydberg excitations of N2

Shigemasa, E; Kaneyasu, T; Matsushita, T; Tamenori, Y; Hikosaka, Y

NEW JOURNAL OF PHYSICS 12 2010年06月16日

ISSN: 1367-2630

DOI
Adiabatic hyperspherical study of weakly bound He2H-, He2H, and HeH2 systems

Suno, H

JOURNAL OF CHEMICAL PHYSICS 132 ( 22 ) 2010年06月14日

ISSN: 0021-9606

DOI
PCI effects in argon 2p double Auger decay probed by multielectron coincidence methods

Sheinerman, S; Lablanquie, P; Penent, F; Hikosaka, Y; Kaneyasu, T; Shigemasa, E; Ito, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 43 ( 11 ) 2010年06月14日

ISSN: 0953-4075

DOI
Nonadiabatic coupling between C-O stretching and Pt substrate electrons enhanced by frustrated mode excitations

Watanabe, K; Inoue, K; Nakai, IF; Matsumoto, Y

PHYSICAL REVIEW B 81 ( 24 ) 2010年06月09日

ISSN: 1098-0121

DOI
Atomic oxygen adsorption on Au(100) and Au(111): Effects of coverage

Okazaki-Maeda, K; Kohyama, M

CHEMICAL PHYSICS LETTERS 492 ( 4-6 ) 266 - 271 2010年06月07日

ISSN: 0009-2614

DOI
Efficient generation of highly squeezed light with periodically poled MgO:LiNbO3

Masada, G; Suzudo, T; Satoh, Y; Ishizuki, H; Taira, T; Furusawa, A

OPTICS EXPRESS 18 ( 12 ) 13114 - 13121 2010年06月07日

ISSN: 1094-4087

DOI
La-doped EuO: A rare earth ferromagnetic semiconductor with the highest Curie temperature

Miyazaki, H; Im, HJ; Terashima, K; Yagi, S; Kato, M; Soda, K; Ito, T; Kimura, S

APPLIED PHYSICS LETTERS 96 ( 23 ) 2010年06月07日

ISSN: 0003-6951

DOI
Optical Resolution of Chiral Buckybowls by Chiral HPLC

Tsuruoka, R; Higashibayashi, S; Ishikawa, T; Toyota, S; Sakurai, H

CHEMISTRY LETTERS 39 ( 6 ) 646 - 647 2010年06月05日

ISSN: 0366-7022

DOI
The fabrication and single electron transport of Au nano-particles placed between Nb nanogap electrodes

Nishino, T; Negishi, R; Kawao, M; Nagata, T; Ozawa, H; Ishibashi, K

NANOTECHNOLOGY 21 ( 22 ) 2010年06月04日

ISSN: 0957-4484

DOI
Control of Chemical Dynamics by Lasers: Theoretical Considerations

Kondorskiy, A; Nanbu, S; Teranishi, Y; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 21 ) 6171 - 6187 2010年06月03日

ISSN: 1089-5639

DOI
Structures of Molecules in Ground and Excited Vibrational States from Quasiclassical Direct ab Initio Molecular Dynamics

Yamada, T; Aida, M

JOURNAL OF PHYSICAL CHEMISTRY A 114 ( 21 ) 6273 - 6283 2010年06月03日

ISSN: 1089-5639

DOI
A Stable Non-Kekule Singlet Biradicaloid from meso-Free 5,10,20,25-Tetrakis(Pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)

Koide, T; Furukawa, K; Shinokubo, H; Shin, JY; Kim, KS; Kim, D; Osuka, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 21 ) 7246 - + 2010年06月02日

ISSN: 0002-7863

DOI
Charge disproportionation in a semiconducting θ-type salt of BTM-TTP

Nakano, Y; Misaki, Y; Uruichi, M; Yakushi, K; Yamochi, H

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S198 - S201 2010年06月01日

ISSN: 0921-4526

DOI
Charge order-disorder phase transition detected by EPR in α′-(BEDT-TTF)2IBr2

Morgunov, R; Dmitriev, A; Chernenkaya, A; Yamamoto, K; Yakushi, K; Tanimoto, Y

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S138 - S140 2010年06月01日

ISSN: 0921-4526

DOI
Development of β-linked quaterthiophene and tetrathiafulvalene dimers as new organic semiconductors

Ashizawa, M; Yu, Y; Niimura, T; Tsuboi, K; Matsumoto, H; Tanioka, A; Mori, T

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S373 - S377 2010年06月01日

ISSN: 0921-4526

DOI
Electronic states of organic quasi-two dimensional conductor β"-(DODHT)2PF6• Charge ordering and superconductivity

Higa, M; Kondo, R; Murata, A; Kagoshima, S; Nishikawa, H; Yakushi, K

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S172 - S175 2010年06月01日

ISSN: 0921-4526

DOI
Frustration and lattice effects on photoinduced melting of charge orders in quasi-two-dimensional organic conductors

Yonemitsu, K; Miyashita, S; Tanaka, Y

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S369 - S372 2010年06月01日

ISSN: 0921-4526

DOI
Infrared and Raman studies of α-(BEDT-TTF)2MHg(SCN)4 with M = NH4 and K at low temperature: Breaking of inversion symmetry due to charge-ordering fluctuation

Hiejima, T; Yamada, S; Uruichi, M; Yakushi, K

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S153 - S156 2010年06月01日

ISSN: 0921-4526

DOI
Inhomogeneous ferroelectric polarization in α'-(BEDT-TTF)2IBr2 revealed by second-harmonic generation microscopy

Yamamoto, K; Kowalska, AA; Nakano, C; Yakushi, K

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S363 - S364 2010年06月01日

ISSN: 0921-4526

DOI
Non-linear current-voltage characteristics in α-(BEDT-TTF)2I3

Kodama, K; Kimata, M; Takahide, Y; Terashima, T; Satsukawa, H; Harada, A; Hazama, K; Uji, S; Yamamo … 全著者表示

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S176 - S178 2010年06月01日

ISSN: 0921-4526

DOI
Optical properties of sol-gel processed TiO2 thin films up to the vacuum ultraviolet energy region

Sato, R; Kawai, T; Kifune, K

JOURNAL OF NON-CRYSTALLINE SOLIDS 356 ( 25-27 ) 1300 - 1304 2010年06月01日

ISSN: 0022-3093

DOI
Order-disorder type of charge-ordering phase transition in narrow-bandwidth compound, α′-(BEDT-TTF)2IBr2

Yue, Y; Yamamoto, K; Nakano, C; Uruichi, M; Yakushi, K; Inokuchi, M; Hiejima, T; Kawamoto, A

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S232 - S236 2010年06月01日

ISSN: 0921-4526

DOI
Resistivity measurements on TMTTeN and [Ni(ptdt)2] above 20 GPa and electrical and structural studies on [Au(tmdt)2]

Kobayashi, H; Zhou, B; Kobayashi, A; Okano, Y; Nishibori, E; Sakata, M; Cui, H; Brooks, J

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S303 - S307 2010年06月01日

ISSN: 0921-4526

DOI
Syntheses, structure and properties of vinylogous EDO-TTFs

Shirahata, T; Morikawa, T; Miyamoto, H; Nakano, Y; Yamochi, H; Misaki, Y

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S61 - S64 2010年06月01日

ISSN: 0921-4526

DOI
Synthesis, crystal structure, and physical property of radical cation salt of 2-(thiopyran-4-ylidene)-4,5-ethylenedithio-1,3-dithiole (TP-EDTT): (TP-EDTT)2SbF6

Nakano, Y; Nishi, T; Uruichi, M; Yakushi, K; Yamochi, H

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S49 - S54 2010年06月01日

ISSN: 0921-4526

DOI
The effect of a methyl group incorporated in EDO-TTF

Shao, XF; Nakano, Y; Saito, G; Yakushi, K; Kosinhara, S; Tanaka, K; Yamochi, H

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S75 - S78 2010年06月01日

ISSN: 0921-4526

DOI
Theory of I-V characteristics for two-dimensional charge-ordered electron systems at quarter filling

Tanaka, Y; Yonemitsu, K

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S211 - S213 2010年06月01日

ISSN: 0921-4526

DOI
X-ray irradiation effect on magnetic properties of Dimer-Mott insulators: κ-(BEDT-TTF)2Cu[N(CN)2]Cl and β′-(BEDT-TTF)2ICl2

Yoneyama, N; Sasaki, T; Kobayashi, N; Furukawa, K; Nakamura, T

PHYSICA B-CONDENSED MATTER 405 ( 11 ) S244 - S246 2010年06月01日

ISSN: 0921-4526

DOI
1,4,7,10-Tetraisoalkyltetracenes: Tuning of Solid-State Optical Properties and Fluorescence Quantum Yields by Peripheral Modulation

Kitamura, C; Tsukuda, H; Yoneda, A; Kawase, T; Kobayashi, T; Naito, H

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2010 ( 16 ) 3033 - 3040 2010年06月

ISSN: 1434-193X

DOI
Magnetic Properties of X-ray Irradiated Organic Mott Insulator κ-(BEDT-TTF)2Cu[N(CN)2]Cl

Yoneyama, N; Furukawa, K; Nakamura, T; Sasaki, T; Kobayashi, N

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 6 ) 2010年06月

ISSN: 0031-9015

DOI
Polaronic Behavior of Photoelectron Spectra of Fe3O4 Revealed by Both Hard X-ray and Extremely Low Energy Photons

Kimura, M; Fujiwara, H; Sekiyama, A; Yamaguchi, J; Kishimoto, K; Sugiyama, H; Funabashi, G; Imada, … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 6 ) 2010年06月

ISSN: 0031-9015

DOI
Surface Base Sites of MgO Covered with Al2O3: XANES Analysis of Al and Mg K-edges

Matsuhashi, H; Nagashima, K; Naijo, N; Aritani, H

TOPICS IN CATALYSIS 53 ( 7-10 ) 659 - 663 2010年06月

ISSN: 1022-5528

DOI
Surface-induced phase separation of a sphingomyelin/cholesterol/ganglioside GM1-planar bilayer on mica surfaces and microdomain molecular conformation that accelerates Aβ oligomerization

Mao, YL; Shang, ZG; Imai, Y; Hoshino, T; Tero, R; Tanaka, M; Yamamoto, N; Yanagisawa, K; Urisu, T

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES 1798 ( 6 ) 1090 - 1099 2010年06月

ISSN: 0005-2736

DOI
The role of MRH domain-containing lectins in ERAD

Hosokawa, N; Kamiya, Y; Kato, K

GLYCOBIOLOGY 20 ( 6 ) 651 - 660 2010年06月

ISSN: 0959-6658

DOI
Theoretical investigations of polytypism in AlN thin films

Ito, T; Ito, T; Ammi, D; Akiyama, T; Nakamura, K

PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE 207 ( 6 ) 1431 - 1434 2010年06月

ISSN: 1862-6300

DOI
Effect of Fluorination on the Molecular Packing of Perfluoropentacene and Pentacene Ultrathin Films on Ag (111)

Wong, SL; Huang, H; Huang, YL; Wang, YZ; Gao, XY; Suzuki, T; Chen, W; Wee, ATS

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 20 ) 9356 - 9361 2010年05月27日

ISSN: 1932-7447

DOI
Systematic Study of Soft X-ray Spectra of Poly(Dg)•Poly(Dc) and Poly(Da)•Poly(Dt) DNA Duplexes

Hua, WJ; Yamane, H; Gao, B; Jiang, J; Li, SH; Kato, HS; Kawai, M; Hatsui, T; Luo, Y; Kosugi, N; Ågr … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 20 ) 7016 - 7021 2010年05月27日

ISSN: 1520-6106

DOI
Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1-x(MeEDO-TTF)x]2PF6

Murata, T; Shao, XF; Nakano, Y; Yamochi, H; Uruichi, M; Yakushi, K; Saito, G; Tanaka, K

CHEMISTRY OF MATERIALS 22 ( 10 ) 3121 - 3132 2010年05月25日

ISSN: 0897-4756

DOI
Theoretical Studies on the Structures and Strain Energies of Cycloparaphenylenes

Segawa, Y; Omachi, H; Itami, K

ORGANIC LETTERS 12 ( 10 ) 2262 - 2265 2010年05月21日

ISSN: 1523-7060

DOI
Energy Compensation Mechanism for Charge-Separated Protonation States in Aspartate-Histidine Amino Acid Residue Pairs

Kamiya, K; Boero, M; Shiraishi, K; Oshiyama, A; Shigeta, Y

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 19 ) 6567 - 6578 2010年05月20日

ISSN: 1520-6106

DOI
Revisiting the Salt-Induced Conformational Change of DNA with 3D-RISM Theory

Maruyama, Y; Yoshida, N; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 19 ) 6464 - 6471 2010年05月20日

ISSN: 1520-6106

DOI
Light-Harvesting Conjugated Microporous Polymers: Rapid and Highly Efficient Flow of Light Energy with a Porous Polyphenylene Framework as Antenna

Chen, L; Honsho, Y; Seki, S; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 19 ) 6742 - 6748 2010年05月19日

ISSN: 0002-7863

DOI
Atomic structures and energetics of 90° dislocation cores in Ge films on Si(001)

Fujimoto, Y; Oshiyama, A

PHYSICAL REVIEW B 81 ( 20 ) 2010年05月15日

ISSN: 2469-9950

DOI
Morphology of vacancy aggregates in carbon nanotubes: Thinning control due to interwall interaction

Nishikawa, M; Iwata, J; Oshiyama, A

PHYSICAL REVIEW B 81 ( 20 ) 2010年05月15日

ISSN: 1098-0121

DOI
Nickel(II) Complexes of tpa Ligands with 6-Phenyl Substituents (Phntpa). Structure and H2O2-Reactivity

Tano, T; Doi, Y; Inosako, M; Kunishita, A; Kubo, M; Ishimaru, H; Ogura, T; Sugimoto, H; Itoh, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83 ( 5 ) 530 - 538 2010年05月15日

ISSN: 0009-2673

DOI
Reexamination of 13C-NMR in (TMTTF)2AsF6: Comparison with infrared spectroscopy

Hirose, S; Kawamoto, A; Matsunaga, N; Nomura, K; Yamamoto, K; Yakushi, K

PHYSICAL REVIEW B 81 ( 20 ) 2010年05月15日

ISSN: 2469-9950

DOI
Theoretical Study of Bond-Switching in 1,6-Dihydro-6a-thia-1,6-diazapentalene (10-S-3) Systems Compared with Corresponding Oxygen Analogues

Atsumi, T; Abe, T; Akiba, K; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83 ( 5 ) 520 - 529 2010年05月15日

ISSN: 0009-2673

DOI
Crystal Structure of Yeast Rpn14, a Chaperone of the 19 S Regulatory Particle of the Proteasome

Kim, S; Saeki, Y; Fukunaga, K; Suzuki, A; Takagi, K; Yamane, T; Tanaka, K; Mizushima, T; Kato, K

JOURNAL OF BIOLOGICAL CHEMISTRY 285 ( 20 ) 15159 - 15166 2010年05月14日

ISSN: 0021-9258

DOI
Molecular double core hole electron spectroscopy for chemical analysis

Tashiro, M; Ehara, M; Fukuzawa, H; Ueda, K; Buth, C; Kryzhevoi, NV; Cederbaum, LS

JOURNAL OF CHEMICAL PHYSICS 132 ( 18 ) 2010年05月14日

ISSN: 0021-9606

DOI
Electron-nucleus cusp correction scheme for the relativistic zeroth-order regular approximation quantum Monte Carlo method

Nakatsuka, Y; Nakajima, T; Hirao, K

JOURNAL OF CHEMICAL PHYSICS 132 ( 17 ) 2010年05月07日

ISSN: 0021-9606

DOI
Reduced vibronic coupling density and its application to bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF)

Shizu, K; Sato, T; Tanaka, K

CHEMICAL PHYSICS LETTERS 491 ( 1-3 ) 65 - 71 2010年05月07日

ISSN: 0009-2614

DOI
Ultrafast Fourier Transform with a Femtosecond-Laser-Driven Molecule

Hosaka, K; Shimada, H; Chiba, H; Katsuki, H; Teranishi, Y; Ohtsuki, Y; Ohmori, K

PHYSICAL REVIEW LETTERS 104 ( 18 ) 2010年05月07日

ISSN: 0031-9007

DOI
Chlorophyll-a Derivatives with Various Hydrocarbon Ester Groups for Efficient Dye-Sensitized Solar Cells: Static and Ultrafast Evaluations on Electron Injection and Charge Collection Processes

Wang, XF; Tamiaki, H; Wang, L; Tamai, N; Kitao, O; Zhou, HS; Sasaki, S

LANGMUIR 26 ( 9 ) 6320 - 6327 2010年05月04日

ISSN: 0743-7463

DOI
Adaptation of a hyperthermophilic group II chaperonin to relatively moderate temperatures

Kanzaki, T; Ushioku, S; Nakagawa, A; Oka, T; Takahashi, K; Nakamura, T; Kuwajima, K; Yamagishi, A; … 全著者表示

PROTEIN ENGINEERING DESIGN & SELECTION 23 ( 5 ) 393 - 402 2010年05月

ISSN: 1741-0126

DOI
EDEM1 accelerates the trimming of α1,2-linked mannose on the C branch of N-glycans

Hosokawa, N; Tremblay, LO; Sleno, B; Kamiya, Y; Wada, I; Nagata, K; Kato, K; Herscovics, A

GLYCOBIOLOGY 20 ( 5 ) 567 - 575 2010年05月

ISSN: 0959-6658

DOI
Effects of Facet Orientation on Relative Stability between Zinc Blende and Wurtzite Structures in Group III-V Nanowires

Yamashita, T; Akiyama, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 49 ( 5 ) 2010年05月

ISSN: 0021-4922

DOI
Novel Type of Career Generated System: Magnetic Investigations of TTF-Based Self-Doped Hydrogen-Bonding Conductor

Furukawa, K; Nakamura, T; Kobayashi, Y; Ogura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 5 ) 2010年05月

ISSN: 0031-9015

DOI
Observation by UV-Visible and NMR Spectroscopy and Theoretical Confirmation of 4-Isopropyltropolonate Ion, 4-Isopropyltropolone (Hinokitiol), and Protonated 4-Isopropyltropolone in Acetonitrile

Hojo, M; Ueda, T; Ike, M; Okamura, K; Sugiyama, T; Kobayashi, M; Nakai, H

JOURNAL OF CHEMICAL AND ENGINEERING DATA 55 ( 5 ) 1986 - 1989 2010年05月

ISSN: 0021-9568

DOI
Quantum dots labeling using octa-arginine peptides for imaging of adipose tissue-derived stem cells

Yukawa, H; Kagami, Y; Watanabe, M; Oishi, K; Miyamoto, Y; Okamoto, Y; Tokeshi, M; Kaji, N; Noguchi, … 全著者表示

BIOMATERIALS 31 ( 14 ) 4094 - 4103 2010年05月

ISSN: 0142-9612

DOI
SAMRAI: A novel variably polarized angle-resolved photoemission beamline in the VUV region at UVSOR-II

Kimura, SI; Ito, T; Sakai, M; Nakamura, E; Kondo, N; Horigome, T; Hayashi, K; Hosaka, M; Katoh, M; … 全著者表示

REVIEW OF SCIENTIFIC INSTRUMENTS 81 ( 5 ) 2010年05月

ISSN: 0034-6748

DOI
Stable-isotope-assisted NMR approaches to glycoproteins using immunoglobulin G as a model system

Kato, K; Yamaguchi, Y; Arata, Y

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 56 ( 4 ) 346 - 359 2010年05月

ISSN: 0079-6565

DOI
Structural Elements of Ultrashallow Thermal Donors Formed in Silicon Crystals

Hara, A; Awano, T; Ohno, Y; Yonenaga, I

JAPANESE JOURNAL OF APPLIED PHYSICS 49 ( 5 ) 2010年05月

ISSN: 0021-4922

DOI
Synthesis, Optical Properties, and Crystal Structure of 1,4-Dipropyltetracene

Kitamura, C; Matsumoto, C; Yoneda, A; Kobayashi, T; Naito, H; Komatsu, T

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2010 ( 13 ) 2571 - 2575 2010年05月

ISSN: 1434-193X

DOI
Yb@C2n (n=40, 41, 42): New Fullerene Allotropes with Unexplored Electrochemical Properties

Lu, X; Slanina, Z; Akasaka, T; Tsuchiya, T; Mizorogi, N; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 16 ) 5896 - 5905 2010年04月28日

ISSN: 0002-7863

DOI
Characterization of Cr(III)-grafted TiO2 for photocatalytic reaction under visible light

Irie, H; Shibanuma, T; Kamiya, K; Miura, S; Yokoyama, T; Hashimoto, K

APPLIED CATALYSIS B-ENVIRONMENTAL 96 ( 1-2 ) 142 - 147 2010年04月26日

ISSN: 0926-3373

DOI
The PDMS-based microfluidic channel fabricated by synchrotron radiation stimulated etching

He, TC; Wang, CS; Urisu, T; Nagahiro, T; Tero, R; Xia, R

OPTICS EXPRESS 18 ( 9 ) 9733 - 9738 2010年04月26日

ISSN: 1094-4087

DOI
Vibronic coupling density analysis for α-oligothiophene cations: A new insight for polaronic defects

Shizu, K; Sato, T; Tanaka, K

CHEMICAL PHYSICS 369 ( 2-3 ) 108 - 121 2010年04月21日

ISSN: 0301-0104

DOI
Acceleration of self-consistent-field convergence in ab initio molecular dynamics and Monte Carlo simulations and geometry optimization

Atsumi, T; Nakai, H

CHEMICAL PHYSICS LETTERS 490 ( 1-3 ) 102 - 108 2010年04月16日

ISSN: 0009-2614

DOI
Dilithioplumbole: A Lead-Bearing Aromatic Cyclopentadienyl Analog

Saito, M; Sakaguchi, M; Tajima, T; Ishimura, K; Nagase, S; Hada, M

SCIENCE 328 ( 5976 ) 339 - 342 2010年04月16日

ISSN: 0036-8075

DOI
Solution structure and dynamics of mouse ARMET

Hoseki, J; Sasakawa, H; Yamaguchi, Y; Maeda, M; Kubota, H; Kato, K; Nagata, K

FEBS LETTERS 584 ( 8 ) 1536 - 1542 2010年04月16日

ISSN: 1873-3468

DOI
Electronic Structures of Heme a of Cytochrome c Oxidase in the Redox States-Charge Density Migration to the Propionate Groups of Heme a

Takano, Y; Nakamura, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 31 ( 5 ) 954 - 962 2010年04月15日

ISSN: 0192-8651

DOI
Preparation, Structures, and Physical Properties of Tetrakis(alkylthio)tetraselenafulvalene (TTCn-TSeF, n=1-15)

Saito, G; Yoshida, Y; Murofushi, H; Iwasawa, N; Hiramatsu, T; Otsuka, A; Yamochi, H; Isa, K; Mineo- … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 83 ( 4 ) 335 - 344 2010年04月15日

ISSN: 0009-2673

DOI
Significant enhancement in the power-conversion efficiency of chlorophyll co-sensitized solar cells by mimicking the principles of natural photosynthetic light-harvesting complexes

Wang, XF; Koyama, Y; Kitao, O; Wada, Y; Sasaki, S; Tamiaki, H; Zhou, HS

BIOSENSORS & BIOELECTRONICS 25 ( 8 ) 1970 - 1976 2010年04月15日

ISSN: 0956-5663

DOI
Spectroscopic evidence of a topological quantum phase transition in ultrathin Bi2Se3 films

Sakamoto, Y; Hirahara, T; Miyazaki, H; Kimura, S; Hasegawa, S

PHYSICAL REVIEW B 81 ( 16 ) 2010年04月15日

ISSN: 1098-0121

DOI
Terahertz responses of the high-temperature metallic phase and photoinduced metallic state in the ferroelectric charge-ordered organic salt α-(ET)2I3

Nakaya, H; Itoh, K; Takahashi, Y; Itoh, H; Iwai, S; Saito, S; Yamamoto, K; Yakushi, K

PHYSICAL REVIEW B 81 ( 15 ) 2010年04月15日

ISSN: 1098-0121

DOI
Topological metal at the surface of an ultrathin Bi1-xSbx alloy film

Hirahara, T; Sakamoto, Y; Saisyu, Y; Miyazaki, H; Kimura, S; Okuda, T; Matsuda, I; Murakami, S; Has … 全著者表示

PHYSICAL REVIEW B 81 ( 16 ) 2010年04月15日

ISSN: 1098-0121

DOI
Formation and Structure of an (Iminium ion)ruthenium Complex and Reaction of the Iminium Ion Moiety with Alcohols

Fukui, S; Suzuki, N; Wada, T; Tanaka, K; Nagao, H

ORGANOMETALLICS 29 ( 7 ) 1534 - 1536 2010年04月12日

ISSN: 0276-7333

DOI
Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes

Nagai, H; Nakano, M; Yoneda, K; Kishi, R; Takahashi, H; Shimizu, A; Kubo, T; Kamada, K; Ohta, K; Bo … 全著者表示

CHEMICAL PHYSICS LETTERS 489 ( 4-6 ) 212 - 218 2010年04月09日

ISSN: 0009-2614

DOI
Exciton Recurrence Motion in Double-Ring Molecular Aggregates Induced by Two-Mode Circular-Polarized Laser Field

Minami, T; Yoneda, K; Kishi, R; Takahashi, H; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 13 ) 6067 - 6076 2010年04月08日

ISSN: 1932-7447

DOI
Application of the R-matrix method to photoionization of molecules

Tashiro, M

JOURNAL OF CHEMICAL PHYSICS 132 ( 13 ) 2010年04月07日

ISSN: 0021-9606

DOI
Application of Real-time Time-dependent Density Functional Theory with the CVB3LYP Functional to Core Excitations

Akama, T; Imamura, Y; Nakai, H

CHEMISTRY LETTERS 39 ( 4 ) 407 - 409 2010年04月05日

ISSN: 0366-7022

DOI
Photocatalytic Hydrogen Production from Water Using Heterogeneous Two-dimensional Rhodium Coordination Polymer [Rh2(p-BDC)2]n

Kataoka, Y; Sato, K; Miyazaki, Y; Suzuki, Y; Tanaka, H; Kitagawa, Y; Kawakami, T; Okumura, M; Mori, … 全著者表示

CHEMISTRY LETTERS 39 ( 4 ) 358 - 359 2010年04月05日

ISSN: 0366-7022

DOI
Resonance Raman Study of a High-valent Fe=O Porphyrin Complex as a Model for Peroxidase Compound II

Ishimaru, H; Fujii, H; Ogura, T

CHEMISTRY LETTERS 39 ( 4 ) 332 - 333 2010年04月05日

ISSN: 0366-7022

DOI
Arching a bay area of triphenyleno[1,12-bcd]thiophene with group 14 functionalities: Synthesis of the first triphenylene derivatives having thiophene and metallafluorene moieties

Saito, M; Tanikawa, T; Tajima, T; Guo, JD; Nagase, S

JOURNAL OF ORGANOMETALLIC CHEMISTRY 695 ( 7 ) 1035 - 1041 2010年04月01日

ISSN: 0022-328X

DOI
Alterations in receptor-binding properties of swine influenza viruses of the H1 subtype after isolation in embryonated chicken eggs

Takemae, N; Ruttanapumma, R; Parchariyanon, S; Yoneyama, S; Hayashi, T; Hiramatsu, H; Sriwilaijaroe … 全著者表示

JOURNAL OF GENERAL VIROLOGY 91 938 - 948 2010年04月

ISSN: 0022-1317

DOI
Comparison of Methods for Profiling O-Glycosylation HUMAN PROTEOME ORGANISATION HUMAN DISEASE GLYCOMICS/PROTEOME INITIATIVE MULTI-INSTITUTIONAL STUDY OF IgA1

Wada, Y; Dell, A; Haslam, SM; Tissot, B; Canis, K; Azadi, P; Bäckström, M; Costello, CE; Hansson, G … 全著者表示

MOLECULAR & CELLULAR PROTEOMICS 9 ( 4 ) 719 - 727 2010年04月

ISSN: 1535-9476

DOI
Generalized Green-Kubo relation and integral fluctuation theorem for driven dissipative systems without microscopic time reversibility

Chong, SH; Otsuki, M; Hayakawa, H

PHYSICAL REVIEW E 81 ( 4 ) 2010年04月

ISSN: 1539-3755

DOI
In-depth understanding of π-electron systems: New vistas in fullerene endohedrals

Yamada, M; Tsuchiya, T; Akasaka, T; Nagase, S

PURE AND APPLIED CHEMISTRY 82 ( 4 ) 757 - 767 2010年04月

ISSN: 0033-4545

DOI
Magnetic properties of the FeII spin crossover complex in emulsion polymerization of trifluoroethylmethacrylate using poly(vinyl alcohol)

Suzuki, A; Iguchi, M; Oku, T; Fujiwara, M

JOURNAL OF SOLID STATE CHEMISTRY 183 ( 4 ) 951 - 956 2010年04月

ISSN: 0022-4596

DOI
Reactivity of the disilyne RSiSiR (R = SiiPr[CH(SiMe3)2]2) toward bis(silylcyanide) forming a 1,4-diaza-2,3-disilabenzene analog

Takeuchi, K; Ichinohe, M; Sekiguchi, A; Guo, JD; Nagase, S

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 23 ( 4 ) 390 - 394 2010年04月

ISSN: 0894-3230

DOI
Selection of Single-Walled Carbon Nanotubes According to Both Their Diameter and Chirality via Nanotweezers

Zhou, J; Li, H; Lu, J; Luo, GF; Lai, L; Qin, R; Wang, L; Nagase, S; Gao, ZX; Mei, WN; Li, GP; Yu, D … 全著者表示

NANO RESEARCH 3 ( 4 ) 296 - 306 2010年04月

ISSN: 1998-0124

DOI
Valences and Spin States of Ni and Pt Ions in the Quasi-One-Dimensional Compounds (Sr,A)3NiPtO6 (A = La and Na)

Takami, T; Igarashi, H; Itoh, M

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 4 ) 2010年04月

ISSN: 0031-9015

DOI
Parallel-Stacked Aromatic Hosts for Orienting Small Molecules in a Magnetic Field: Induced Residual Dipolar Coupling by Encapsulation

Sato, S; Morohara, O; Fujita, D; Yamaguchi, Y; Kato, K; Fujita, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 11 ) 3670 - + 2010年03月24日

ISSN: 0002-7863

DOI
Direct observation of ferroelectric domains created by Wigner crystallization of electrons in α-[bis(ethylenedithio)tetrathiafulvalene]2I3

Yamamoto, K; Kowalska, AA; Yakushi, K

APPLIED PHYSICS LETTERS 96 ( 12 ) 2010年03月22日

ISSN: 0003-6951

DOI
Electronic structure and spectra of cupric acetate mono-hydrate revisited

Kyuzou, M; Mori, W; Tanaka, J

INORGANICA CHIMICA ACTA 363 ( 5 ) 930 - 934 2010年03月22日

ISSN: 0020-1693

DOI
Chemoselective Oxidation of Sulfides Promoted by a Tightly Convoluted Polypyridinium Phosphotungstate Catalyst with H2O2

Jin, CK; Yamada, YMA; Uozumi, Y

BULLETIN OF THE KOREAN CHEMICAL SOCIETY 31 ( 3 ) 547 - 548 2010年03月20日

ISSN: 1229-5949

DOI
Flexible Recognition of the tRNA G18 Methylation Target Site by TrmH Methyltransferase through First Binding and Induced Fit Processes

Ochi, A; Makabe, K; Kuwajima, K; Hori, H

JOURNAL OF BIOLOGICAL CHEMISTRY 285 ( 12 ) 9018 - 9029 2010年03月19日

DOI
Singlet Diradical Character from Experiment

Kamada, K; Ohta, K; Shimizu, A; Kubo, T; Kishi, R; Takahashi, H; Botek, E; Champagne, B; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1 ( 6 ) 937 - 940 2010年03月18日

ISSN: 1948-7185

DOI
A model for the dissociative adsorption of N2O on Cu(100) using a continuous potential energy surface

Manzhos, S; Yamashita, K

SURFACE SCIENCE 604 ( 5-6 ) 555 - 561 2010年03月15日

ISSN: 0039-6028

DOI
Different Folding Pathways Taken by Highly Homologous Proteins, Goat α-Lactalbumin and Canine Milk Lysozyme

Nakamura, T; Makabe, K; Tomoyori, K; Maki, K; Mukaiyama, A; Kuwajima, K

JOURNAL OF MOLECULAR BIOLOGY 396 ( 5 ) 1361 - 1378 2010年03月12日

ISSN: 0022-2836

DOI
NMR characterization of intramolecular interaction of osteopontin, an intrinsically disordered protein with cryptic integrin-binding motifs

Yamaguchi, Y; Hanashima, S; Yagi, H; Takahashi, Y; Sasakawa, H; Kurimoto, E; Iguchi, T; Kon, S; Ued … 全著者表示

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 393 ( 3 ) 487 - 491 2010年03月12日

ISSN: 0006-291X

DOI
Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems

Kishi, R; Bonness, S; Yoneda, K; Takahashi, H; Nakano, M; Botek, E; Champagne, B; Kubo, T; Kamada, … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 132 ( 9 ) 2010年03月07日

ISSN: 0021-9606

DOI
The role of substrate electrons in the wetting of a metal surface

Schiros, T; Takahashi, O; Andersson, KJ; Öström, H; Pettersson, LGM; Nilsson, A; Ogasawara, H

JOURNAL OF CHEMICAL PHYSICS 132 ( 9 ) 2010年03月07日

ISSN: 0021-9606

DOI
Solid-state 95Mo NMR of mixed-valence polyoxomolybdates (V, VI) with localized or delocalized d1 electrons

Iijima, T; Yamase, T; Tansho, M; Shimizu, T; Nishimura, K

CHEMICAL PHYSICS LETTERS 487 ( 4-6 ) 232 - 236 2010年03月05日

ISSN: 0009-2614

DOI
Two-Step Alkylation of Single-Walled Carbon Nanotubes: Substituent Effect on Sidewall Functionalization

Maeda, Y; Kato, T; Hasegawa, T; Kako, M; Akasaka, T; Lu, J; Nagase, S

ORGANIC LETTERS 12 ( 5 ) 996 - 999 2010年03月05日

ISSN: 1523-7060

DOI
Excited States of Fluorescent Proteins, mKO and DsRed: Chromophore-Protein Electrostatic Interaction Behind the Color Variations

Hasegawa, J; Ise, T; Fujimoto, KJ; Kikuchi, A; Fukumura, E; Miyawaki, A; Shiro, Y

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 8 ) 2971 - 2979 2010年03月04日

ISSN: 1520-6106

DOI
Structural basis for the cooperative interplay between the two causative gene products of combined factor V and factor VIII deficiency

Nishio, M; Kamiya, Y; Mizushima, T; Wakatsuki, S; Sasakawa, H; Yamamoto, K; Uchiyama, S; Noda, M; M … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 107 ( 9 ) 4034 - 4039 2010年03月02日

ISSN: 0027-8424

DOI
Low-temperature far-infrared absorption in the antiferromagnetic organic superconductor κ-(BETS)2FeBr4

Khah, NH; Rao, GVS; Reedyk, M; Fujiwara, H; Kobayashi, H; Nakamura, T; Yakushi, K; Tanatar, MA

PHYSICAL REVIEW B 81 ( 9 ) 2010年03月01日

ISSN: 1098-0121

DOI
Charge, Lattice, and Spin Dynamics in Photoinduced Phase Transitions from Charge-Ordered Insulator to Metal in Quasi-Two-Dimensional Organic Conductors

Miyashita, S; Tanaka, Y; Iwai, S; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 3 ) 2010年03月

ISSN: 0031-9015

DOI
Development of a liquid flow cell to measure soft X-ray absorption in transmission mode: A test for liquid water

Nagasaka, M; Hatsui, T; Horigome, T; Hamamura, Y; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 177 ( 2-3 ) 130 - 134 2010年03月

ISSN: 0368-2048

DOI
Direct simulation of flowing colloidal dispersions by smoothed profile method

Nakayama, Y; Kim, K; Yamamoto, R

ADVANCED POWDER TECHNOLOGY 21 ( 2 ) 206 - 211 2010年03月

ISSN: 0921-8831

DOI
Extension of energy density analysis to periodic-boundary-condition calculations with plane-wave basis functions

Imamura, Y; Takahashi, A; Okada, T; Ohno, T; Nakai, H

PHYSICAL REVIEW B 81 ( 11 ) 2010年03月

ISSN: 2469-9950

DOI
First-principles and experimental analysis of fn-fn-1d1 absorption spectra and multiplet energy levels of Pr3+, Nd3+, and U3+ in LiYF4

Watanabe, S; Ogasawara, K; Yoshino, M; Nagasaki, T

PHYSICAL REVIEW B 81 ( 12 ) 2010年03月

ISSN: 2469-9950

DOI
High resolution X-ray emission spectroscopy of water and its assignment based on two structural motifs

Tokushima, T; Harada, Y; Horikawa, Y; Takahashi, O; Senba, Y; Ohashi, H; Pettersson, LGM; Nilsson, … 全著者表示

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 177 ( 2-3 ) 192 - 205 2010年03月

ISSN: 0368-2048

DOI
Kondo-like behavior in magnetic and thermal properties of single-crystal Tm5Si2Ge2

Kim, JH; Kim, SJ; Lee, CI; Jung, MA; Oh, HJ; Rhyee, JS; Jo, Y; Mitani, H; Miyazaki, H; Kimura, S; K … 全著者表示

PHYSICAL REVIEW B 81 ( 10 ) 2010年03月

ISSN: 2469-9950

DOI
New vistas in fullerene endohedrals: Functionalization with compounds from main group elements

Tsuchiya, T; Akasaka, T; Nagase, S

PURE AND APPLIED CHEMISTRY 82 ( 3 ) 505 - 521 2010年03月

ISSN: 0033-4545

DOI
On the Chemical Origin of the Gap Bowing in (GaAs)1-x Ge2x Alloys: A Combined DFT-QSGW Study

Giorgi, G; Van Schilfgaarde, M; Korkin, A; Yamashita, K

NANOSCALE RESEARCH LETTERS 5 ( 3 ) 469 - 477 2010年03月

ISSN: 1931-7573

DOI
Specific fragmentation of the K-shell excited/ionized pyridine derivatives studied by electron impact: 2-, 3-and 4-methylpyridine

Sakai, M; Okada, K; Ohne, K; Tabayashi, K

JOURNAL OF MASS SPECTROMETRY 45 ( 3 ) 306 - 312 2010年03月

ISSN: 1076-5174

DOI
Synthesis and structure of stable 1,2-diaryldisilyne

Sasamori, T; Han, JS; Hironaka, K; Takagi, N; Nagase, S; Tokitoh, N

PURE AND APPLIED CHEMISTRY 82 ( 3 ) 603 - 612 2010年03月

ISSN: 0033-4545

DOI
The Exchange-Energy Density Functional Based on the Modified Becke-Roussel Model

Takahashi, H; Kishi, R; Nakano, M

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 6 ( 3 ) 647 - 661 2010年03月

ISSN: 1549-9618

DOI
Ultrahigh-resolution laser spectroscopy of the S1 1B2u ← S0 1Ag transition of perylene

Kowaka, Y; Suganuma, Y; Ashizawa, N; Nakayama, N; Goto, H; Ishimoto, T; Nagashima, U; Baba, M

JOURNAL OF MOLECULAR SPECTROSCOPY 260 ( 1 ) 72 - 76 2010年03月

ISSN: 0022-2852

DOI
Valence ionized states of iron pentacarbonyl and η5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy

Fukuda, R; Ehara, M; Nakatsuji, H; Kishimoto, N; Ohno, K

JOURNAL OF CHEMICAL PHYSICS 132 ( 8 ) 2010年02月28日

ISSN: 0021-9606

DOI
TiO2- and ZnO-based solar cells using a chlorophyll a derivative sensitizer for light-harvesting and energy conversion

Wang, XF; Kitao, O; Hosono, E; Zhou, HS; Sasaki, S; Tamiaki, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 210 ( 2-3 ) 145 - 152 2010年02月25日

ISSN: 1010-6030

DOI
Fully π-Conjugated Helices from Oxidative Cleavage of meso-Aryl-Substituted Expanded Porphyrins

Saito, S; Furukawa, K; Osuka, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 7 ) 2128 - + 2010年02月24日

ISSN: 0002-7863

DOI
Quantum-Chemical Study of Neutral Lewis Base Catalyzed Allylation of Aldehydes with Allyltrichlorosilanes

Sakata, K; Fujimoto, H

ORGANOMETALLICS 29 ( 4 ) 1004 - 1011 2010年02月22日

ISSN: 0276-7333

DOI
NMR characterization of the interactions between lyso-GM1 aqueous micelles and amyloid β

Yagi-Utsumi, M; Kameda, T; Yamaguchi, Y; Kato, K

FEBS LETTERS 584 ( 4 ) 831 - 836 2010年02月19日

ISSN: 1873-3468

DOI
Redox-Dependent Domain Rearrangement of Protein Disulfide Isomerase Coupled with Exposure of Its Substrate-Binding Hydrophobic Surface

Serve, O; Kamiya, Y; Maeno, A; Nakano, M; Murakami, C; Sasakawa, H; Yamaguchi, Y; Harada, T; Kurimo … 全著者表示

JOURNAL OF MOLECULAR BIOLOGY 396 ( 2 ) 361 - 374 2010年02月19日

ISSN: 0022-2836

DOI
Adsorption of Ethylene on Neutral, Anionic, and Cationic Gold Clusters

Lyalin, A; Taketsugu, T

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 6 ) 2484 - 2493 2010年02月18日

ISSN: 1932-7447

DOI
Which hybrid GGA DFT is suitable for Cu2O2 systems if the spin contamination error is removed?

Saito, T; Kataoka, Y; Nakanishi, Y; Matsui, T; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS 368 ( 1-2 ) 1 - 6 2010年02月18日

ISSN: 0301-0104

DOI
Electron-vibration interactions in triphenylamine cation: Why are triphenylamine-based molecules good hole-transport materials?

Shizu, K; Sato, T; Tanaka, K; Kaji, H

CHEMICAL PHYSICS LETTERS 486 ( 4-6 ) 130 - 136 2010年02月12日

ISSN: 0009-2614

DOI
Mechanism of Ammonia Formation on Rh(111) Studied by Dispersive Near-Edge X-ray Absorption Fine Structure Spectroscopy

Nagasaka, M; Kondoh, H; Amemiya, K; Nakai, I; Shimada, T; Yokota, R; Ohta, T

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 5 ) 2164 - 2170 2010年02月11日

ISSN: 1932-7447

DOI
N-Glycosylation profiling of turtle egg yolk: expression of galabiose structure

Yagi, H; Yamamoto, M; Yu, SY; Takahashi, N; Khoo, KH; Lee, YC; Kato, K

CARBOHYDRATE RESEARCH 345 ( 3 ) 442 - 448 2010年02月11日

ISSN: 0008-6215

DOI
Quantum computing using molecular vibrational and rotational modes of the open-shell 14N16O molecule

Mishima, K; Yamashita, K

CHEMICAL PHYSICS 367 ( 2-3 ) 63 - 74 2010年02月08日

ISSN: 0301-0104

DOI
Ruthenium Seleno- and Tellurocarbonyl Complexes: Selenium and Tellurium Atom Transfer to a Terminal Carbido Ligand

Mutoh, Y; Kozono, N; Araki, M; Tsuchida, N; Takano, K; Ishii, Y

ORGANOMETALLICS 29 ( 3 ) 519 - 522 2010年02月08日

ISSN: 0276-7333

DOI
Relativistic quantum Monte Carlo method using zeroth-order regular approximation Hamiltonian

Nakatsuka, Y; Nakajima, T; Nakata, M; Hirao, K

JOURNAL OF CHEMICAL PHYSICS 132 ( 5 ) 2010年02月07日

ISSN: 0021-9606

DOI
Short-time Fourier transform analysis of real-time time-dependent Hartree-Fock and time-dependent density functional theory calculations with Gaussian basis functions

Akama, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 132 ( 5 ) 2010年02月07日

ISSN: 0021-9606

DOI
Generalizing the bra state in the symmetry-adapted cluster singles and doubles method and the second-order perturbation correction

Hasegawa, J; Obata, A; Matsuda, K

CHEMICAL PHYSICS LETTERS 486 ( 1-3 ) 84 - 88 2010年02月05日

ISSN: 0009-2614

DOI
Real-time electron dynamics simulation of the adsorption of an oxygen molecule on Pt and Au clusters

Suzuki, Y; Yamashita, K

CHEMICAL PHYSICS LETTERS 486 ( 1-3 ) 48 - 52 2010年02月05日

ISSN: 0009-2614

DOI
Regioselective Synthesis of Heterocycles Containing Nitrogen Neighboring an Aromatic Ring by Reductive Ring Expansion Using Diisobutyl aluminum Hydride and Studies on the Reaction Mechanism

Cho, H; Iwama, Y; Sugimoto, K; Mori, S; Tokuyama, H

JOURNAL OF ORGANIC CHEMISTRY 75 ( 3 ) 627 - 636 2010年02月05日

ISSN: 0022-3263

DOI
A Theoretical Investigation on Stability and Chemical Shifts in 13C NMR of Formaldehyde Encapsulated in Faujasite Zeolites

Tomita, M; Masui, Y; Onaka, M

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1 ( 3 ) 652 - 656 2010年02月04日

ISSN: 1948-7185

DOI
A two-dimensional ladder-type network in the 2:1 co-crystal of 1,2,5-thiadiazole-3,4-dicarboxylic acid and 4,4'-bipyridine

Tomura, M; Yamashita, Y

STRUCTURAL CHEMISTRY 21 ( 1 ) 107 - 111 2010年02月

ISSN: 1040-0400

DOI
Dianionic species with a bond consisting of two pentacoordinated silicon atoms

Kano, N; Miyake, H; Sasaki, K; Kawashima, T; Mizorogi, N; Nagase, S

NATURE CHEMISTRY 2 ( 2 ) 112 - 116 2010年02月

ISSN: 1755-4330

DOI
Exciton transition and electronic structure of PbMoO4 crystals studied by polarized light

Fujita, M; Itoh, M; Mitani, H; Sangeeta; Tyagi, M

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 247 ( 2 ) 405 - 410 2010年02月

ISSN: 0370-1972

DOI
Growth Dynamics of Photoinduced Domains in Two-Dimensional Charge-Ordered Conductors Depending on Stabilization Mechanisms

Tanaka, Y; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 2 ) 2010年02月

ISSN: 0031-9015

DOI
High Peak Power, Passively Q-switched Microlaser for Ignition of Engines

Tsunekane, M; Inohara, T; Ando, A; Kido, N; Kanehara, K; Taira, T

IEEE JOURNAL OF QUANTUM ELECTRONICS 46 ( 2 ) 277 - 284 2010年02月

ISSN: 0018-9197

DOI
The role of the Fe-S cluster in the sensory domain of nitrogenase transcriptional activator VnfA from Azotobacter vinelandii

Nakajima, H; Takatani, N; Yoshimitsu, K; Itoh, M; Aono, S; Takahashi, Y; Watanabe, Y

FEBS JOURNAL 277 ( 3 ) 817 - 832 2010年02月

ISSN: 1742-464X

DOI
Copper-Free Sonogashira coupling in water with an amphiphilic resin-supported palladium complex

Suzuka, T; Okada, Y; Ooshiro, K; Uozumi, Y

TETRAHEDRON 66 ( 5 ) 1064 - 1069 2010年01月30日

ISSN: 0040-4020

DOI
Experimental and theoretical study of the reaction of POCl3- with O2

Kerkines, ISK; Morokuma, K; Iordanova, N; Viggiano, AA

JOURNAL OF CHEMICAL PHYSICS 132 ( 4 ) 2010年01月28日

ISSN: 0021-9606

DOI
Synthesis and structures of heterasumanenes having different heteroatom functionalities

Saito, M; Tanikawa, T; Tajima, T; Guo, JD; Nagase, S

TETRAHEDRON LETTERS 51 ( 4 ) 672 - 675 2010年01月27日

ISSN: 0040-4039

DOI
Projector Monte Carlo method based on Slater determinants: Test application to singlet excited states of H2O and LiF

Ohtsuka, Y; Nagase, S

CHEMICAL PHYSICS LETTERS 485 ( 4-6 ) 367 - 370 2010年01月26日

ISSN: 0009-2614

DOI
Characterization of Inhibitor-Bound α-Synuclein Dimer: Role of α-Synuclein N-Terminal Region in Dimerization and Inhibitor Binding

Yamaguchi, Y; Masuda, M; Sasakawa, H; Nonaka, T; Hanashima, S; Hisanaga, S; Kato, K; Hasegawa, M

JOURNAL OF MOLECULAR BIOLOGY 395 ( 3 ) 445 - 456 2010年01月22日

ISSN: 0022-2836

DOI
Hydrazine and Thermal Reduction of Graphene Oxide: Reaction Mechanisms, Product Structures, and Reaction Design

Gao, XF; Jang, J; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY C 114 ( 2 ) 832 - 842 2010年01月21日

ISSN: 1932-7447

DOI
Ultrafast Intersystem Crossing of 4-Thiothymidine in Aqueous Solution

Harada, Y; Okabe, C; Kobayashi, T; Suzuki, T; Ichimura, T; Nishi, N; Xu, YZ

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1 ( 2 ) 480 - 484 2010年01月21日

ISSN: 1948-7185

DOI
Alternative Selective Oxidation Pathways for Aldehyde Oxidation and Alkene Epoxidation on a SiO2-Supported Ru-Monomer Complex Catalyst

Tada, M; Muratsugu, S; Kinoshita, M; Sasaki, T; Iwasawa, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 2 ) 713 - 724 2010年01月20日

ISSN: 0002-7863

DOI
Time-dependent Hartree-Fock frequency-dependent polarizability calculation applied to divide-and-conquer electronic structure method

Touma, T; Kobayashi, M; Nakai, H

CHEMICAL PHYSICS LETTERS 485 ( 1-3 ) 247 - 252 2010年01月18日

ISSN: 0009-2614

DOI
A first-principles surface phase diagram study for Si-adsorption processes on GaAs(111)A surfaces

Akiyama, T; Tatematsu, H; Nakamura, K; Ito, T

SURFACE SCIENCE 604 ( 2 ) 171 - 174 2010年01月15日

ISSN: 0039-6028

DOI
Properties of Halogen Atoms for Representing Intermolecular Electrostatic Interactions Related to Halogen Bonding and Their Substituent Effects

Torii, H; Yoshida, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 31 ( 1 ) 107 - 116 2010年01月15日

ISSN: 0192-8651

DOI
Structures of Pt clusters on graphene by first-principles calculations

Okazaki-Maeda, K; Morikawa, Y; Tanaka, S; Kohyama, M

SURFACE SCIENCE 604 ( 2 ) 144 - 154 2010年01月15日

ISSN: 0039-6028

DOI
Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory

Yanai, T; Kurashige, Y; Neuscamman, E; Chan, GKL

JOURNAL OF CHEMICAL PHYSICS 132 ( 2 ) 2010年01月14日

ISSN: 0021-9606

DOI
Strongly contracted canonical transformation theory

Neuscamman, E; Yanai, T; Chan, GKL

JOURNAL OF CHEMICAL PHYSICS 132 ( 2 ) 2010年01月14日

ISSN: 0021-9606

DOI
Structural and Energetic Analysis on the Complexes of Clinically Isolated Subtype C HIV-1 Proteases and Approved Inhibitors by Molecular Dynamics Simulation

Matsuyama, S; Aydan, A; Ode, H; Hata, M; Sugiura, W; Hoshino, T

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 1 ) 521 - 530 2010年01月14日

ISSN: 1520-6106

DOI
Systematic Docking Study of the Carbohydrate Binding Module Protein of Cel7A with the Cellulose Iα Crystal Model

Yui, T; Shiiba, H; Tsutsumi, Y; Hayashi, S; Miyata, T; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 114 ( 1 ) 49 - 58 2010年01月14日

ISSN: 1520-6106

DOI
Theoretical studies of absorption cross sections for the C≈ 1B2-X≈ 1A1 system of sulfur dioxide and isotope effects

Tokue, I; Nanbu, S

JOURNAL OF CHEMICAL PHYSICS 132 ( 2 ) 2010年01月14日

ISSN: 0021-9606

DOI
Crystal Structure of UbcH5b∼Ubiquitin Intermediate: Insight into the Formation of the Self-Assembled E2∼Ub Conjugates

Sakata, E; Satoh, T; Yamamoto, S; Yamaguchi, Y; Yagi-Utsumi, M; Kurimoto, E; Tanaka, K; Wakatsuki, … 全著者表示

STRUCTURE 18 ( 1 ) 138 - 147 2010年01月13日

ISSN: 0969-2126

DOI
Direct Probing of Spin State Dynamics Coupled with Electronic and Structural Modifications by Picosecond Time-Resolved XAFS

Nozawa, S; Sato, T; Chollet, M; Ichiyanagi, K; Tomita, A; Fujii, H; Adachi, S; Koshihara, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 ( 1 ) 61 - + 2010年01月13日

ISSN: 0002-7863

DOI
Paramagnetic 13C and 15N NMR Analyses of the Push and Pull Effects in Cytochrome c Peroxidase and Coprinus cinereus Peroxidase Variants: Functional Roles of Highly Conserved Amino Acids around Heme

Nonaka, D; Wariishi, H; Welinder, KG; Fujii, H

BIOCHEMISTRY 49 ( 1 ) 49 - 57 2010年01月12日

ISSN: 0006-2960

DOI
Theoretical study of Ar-MCO (M = Pd, Pt)

Taketsugu, Y; Noro, T; Taketsugu, T

CHEMICAL PHYSICS LETTERS 484 ( 4-6 ) 139 - 143 2010年01月07日

ISSN: 0009-2614

DOI
Gold Nanoclusters as a Catalyst for Intramolecular Addition of Primary Amines to Unactivated Alkenes under Aerobic Conditions

Kitahara, H; Sakurai, H

CHEMISTRY LETTERS 39 ( 1 ) 46 - 48 2010年01月05日

ISSN: 0366-7022

DOI
High energy quasi-phase matched optical parametric oscillation using Mg-doped congruent LiTaO3 crystal

Ishizuki, H; Taira, T

OPTICS EXPRESS 18 ( 1 ) 253 - 258 2010年01月04日

ISSN: 1094-4087

DOI
A SELF-SUPPORTED PALLADIUM-BIPYRIDYL CATALYST FOR THE SUZUKI-MIYAURA COUPLING IN WATER

Osako, T; Uozumi, Y

HETEROCYCLES 80 ( 1 ) 505 - 514 2010年01月01日

ISSN: 0385-5414

DOI
Dynamics of the solvent around a solute: Generalized Langevin theory

Ishizuka, R; Hirata, F

PHYSICAL REVIEW E 81 ( 1 ) 2010年01月

ISSN: 1539-3755

DOI
Endohedral Metal Atoms in Pristine and Functionalized Fullerene Cages

Yamada, M; Akasaka, T; Nagase, S

ACCOUNTS OF CHEMICAL RESEARCH 43 ( 1 ) 92 - 102 2010年01月

ISSN: 0001-4842

DOI
Growth of YBa2(Cu,Co)4O8 Single Crystals Under Ambient Pressure and Their Superconducting Properties

Takami, T; Shimokata, A; Itoh, M

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 ( 1 ) 2010年01月

ISSN: 0031-9015

DOI
Improved Secretion of Molecular Chaperone-Assisted Human IgG in Silkworm, and No Alterations in Their N-Linked Glycan Structures

Dojima, T; Nishina, T; Kato, T; Uno, T; Yagi, H; Kato, K; Ueda, H; Park, EY

BIOTECHNOLOGY PROGRESS 26 ( 1 ) 232 - 238 2010年01月

ISSN: 8756-7938

DOI
Molecular oxygen regulates the enzymatic activity of a heme-containing diguanylate cyclase (HemDGC) for the synthesis of cyclic di-GMP

Sawai, H; Yoshioka, S; Uchida, T; Hyodo, M; Hayakawa, Y; Ishimori, K; Aono, S

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1804 ( 1 ) 166 - 172 2010年01月

ISSN: 1570-9639

DOI
Quasiparticle scattering and the protected nature of the topological states in a parent topological insulator Bi2Se3

Park, SR; Jung, WS; Kim, C; Song, DJ; Kim, C; Kimura, S; Lee, KD; Hur, N

PHYSICAL REVIEW B 81 ( 4 ) 2010年01月

ISSN: 1098-0121

DOI
Structure and magnetic properties of iron nitride thin films on Cu(001)

Takagi, Y; Isami, K; Yamamoto, I; Nakagawa, T; Yokoyama, T

PHYSICAL REVIEW B 81 ( 3 ) 2010年01月

ISSN: 2469-9950

DOI
Synchrotron-radiation-stimulated etching of polydimethylsiloxane using XeF2 as a reaction gas

Chiang, TY; Makimura, T; He, TC; Torii, S; Yoshida, T; Tero, R; Wang, CS; Urisu, T

JOURNAL OF SYNCHROTRON RADIATION 17 69 - 74 2010年01月

ISSN: 1600-5775

DOI
In situ time-resolved DXAFS for the determination of kinetics of structural changes of H-ZSM-5-supported active Re-cluster catalyst in the direct phenol synthesis from benzene and O2

Tada, M; Uemura, Y; Bal, R; Inada, Y; Nomura, M; Iwasawa, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 ( 21 ) 5701 - 5706 2010年

ISSN: 1463-9076

DOI
para-Phenylene-Bridged Spirobi(triarylamine) Dimer with Four Perpendicularly Linked Redox-Active π Systems

Ito, A; Hata, K; Kawamoto, K; Hirao, Y; Tanaka, K; Shiro, M; Furukawa, K; Kato, T

CHEMISTRY-A EUROPEAN JOURNAL 16 ( 35 ) 10866 - 10878 2010年

ISSN: 0947-6539

DOI
A Modular and Size-Selective Synthesis of [n]Cycloparaphenylenes: A Step toward the Selective Synthesis of [n, n] Single-Walled Carbon Nanotubes

Omachi, H; Matsuura, S; Segawa, Y; Itami, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 49 ( 52 ) 10202 - 10205 2010年

ISSN: 1433-7851

DOI
A Nanoscale Jigsaw-Puzzle Approach to Large π-Conjugated Systems

Gao, XF; Zhang, SBB; Zhao, YL; Nagase, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 49 ( 38 ) 6764 - 6767 2010年

ISSN: 1433-7851

DOI
A Stable Organic Radical Delocalized on a Highly Twisted π System Formed Upon Palladium Metalation of a Mobius Aromatic Hexaphyrin

Rath, H; Tokuji, S; Aratani, N; Furukawa, K; Lim, JM; Kim, D; Shinokubo, H; Osuka, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 49 ( 8 ) 1489 - 1491 2010年

ISSN: 1433-7851

DOI
A review of canonical transformation theory

Neuscamman, E; Yanai, T; Chan, GKL

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY 29 ( 2 ) 231 - 271 2010年

ISSN: 0144-235X

DOI
Analysis of Local Environment of Fe Ions in Hexagonal BaTiO3

Chikada, S; Hirose, K; Yamamoto, T

JAPANESE JOURNAL OF APPLIED PHYSICS 49 ( 9 ) 2010年

ISSN: 0021-4922

DOI
Bithiophene Porphyrin Hybrid Nanorings

Osawa, K; Song, JX; Furukawa, K; Shinokubo, H; Aratani, N; Osuka, A

CHEMISTRY-AN ASIAN JOURNAL 5 ( 4 ) 764 - 767 2010年

ISSN: 1861-4728

DOI
Carbon Spiral Helix: A Nanoarchitecture Derived from Monovacancy Defects in Graphene

Gao, XF; Liu, LL; Irle, S; Nagase, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 49 ( 18 ) 3200 - 3202 2010年

ISSN: 1433-7851

DOI
Chemical Modification of Endohedral Metallofullerene La@C82 with 3-chloro-3-phenyldiazirine

Ishitsuka, MO; Enoki, H; Tsuchiya, T; Slanina, Z; Mizorogi, N; Nagase, S; Liu, MTH; Akasaka, T

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS 185 ( 5-6 ) 1124 - 1130 2010年

ISSN: 1042-6507

DOI
Chiral η6-Arene/N-Tosylethylenediamine-Ruthenium(II) Complexes: Solution Behavior and Catalytic Activity for Asymmetric Hydrogenation

Sandoval, CA; Bie, FS; Matsuoka, A; Yamaguchi, Y; Naka, H; Li, YH; Kato, K; Utsumi, N; Tsutsumi, K; … 全著者表示

CHEMISTRY-AN ASIAN JOURNAL 5 ( 4 ) 806 - 816 2010年

ISSN: 1861-4728

DOI
Coherent rotational excitation by intense nonresonant laser fields

Ohshima, Y; Hasegawa, H

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY 29 ( 4 ) 619 - 663 2010年

ISSN: 0144-235X

DOI
Cr3+ Impurities and Photoluminescence in LaAlO3

Hirata, E; Tamagawa, K; Ohki, Y

JAPANESE JOURNAL OF APPLIED PHYSICS 49 ( 9 ) 2010年

ISSN: 0021-4922

DOI
DYNAMICS AND INTERACTIONS OF GLYCOCONJUGATES PROBED BY STABLE-ISOTOPE-ASSISTED NMR SPECTROSCOPY

Yamaguchi, Y; Kato, K

METHODS IN ENZYMOLOGY, VOL 478: GLYCOMICS 478 305 - 322 2010年

ISBN: 978-0-12-381001-4

ISSN: 0076-6879

DOI
Design of fulleropyrrolidine derivatives as an acceptor molecule in a thin layer organic solar cell

Matsumoto, K; Hashimoto, K; Kamo, M; Uetani, Y; Hayase, S; Kawatsura, M; Itoh, T

JOURNAL OF MATERIALS CHEMISTRY 20 ( 41 ) 9226 - 9230 2010年

ISSN: 0959-9428

DOI
Development of a Quantum Chemical Method Combined with a Theory of Solutions-Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations

Takahashi, H; Matubayasi, N; Nakano, M

ADVANCES IN QUANTUM CHEMISTRY, VOL 59 59 283 - 351 2010年

ISBN: 978-0-12-380898-1

ISSN: 0065-3276

DOI
Dichlorophenyl Derivatives of La@C3v(7)-C82: Endohedral Metal Induced Localization of Pyramidalization and Spin on a Triple-Hexagon Junction

Akasaka, T; Lu, X; Kuga, H; Nikawa, H; Mizorogi, N; Slanina, Z; Tsuchiya, T; Yoza, K; Nagase, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 49 ( 50 ) 9715 - 9719 2010年

ISSN: 1433-7851

DOI
Driving force of metallo (Mg-H and Mg-Cl)-ene reaction mechanisms

Yamada, T; Udagawa, T; Sakai, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 ( 15 ) 3799 - 3805 2010年

ISSN: 1463-9076

DOI
Effects of the silicon core structures on the hole mobility of star-shaped oligothiophenes

Ohshita, J; Hatanaka, Y; Matsui, S; Mizumo, T; Kunugi, Y; Honsho, Y; Saeki, A; Seki, S; Tibbelin, J … 全著者表示

DALTON TRANSACTIONS 39 ( 39 ) 9314 - 9320 2010年

ISSN: 1477-9226

DOI
Electronic structure of delocalized singlet biradical Ph2-IDPL solid film

Kanai, K; Noda, Y; Kato, K; Kubo, T; Iketaki, K; Shimizu, A; Ouchi, Y; Nakasuji, K; Seki, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 ( 39 ) 12570 - 12577 2010年

ISSN: 1463-9076

DOI
Fabrication of Microspheres from Phthalimide-Substituted Porphyrin Derivatives

Ozawa, H; Kawao, M; Nagata, T; Uno, S; Nakazato, K

CHEMISTRY-AN ASIAN JOURNAL 5 ( 11 ) 2393 - 2399 2010年

ISSN: 1861-4728

DOI
First-Principle Study of Atomic Hydrogen Interaction with a Fluorinated Corannulene Radical

Zhang, H; Smith, SC; Nanbu, S; Nakamura, H

AUSTRALIAN JOURNAL OF CHEMISTRY 63 ( 3 ) 371 - 378 2010年

ISSN: 0004-9425

DOI
Future perspectives of nonadiabatic chemical dynamics

Nanbu, S; Ishida, T; Nakamura, H

CHEMICAL SCIENCE 1 ( 6 ) 663 - 674 2010年

ISSN: 2041-6520

DOI
Heterogeneous Aromatic Amination of Aryl Halides with Arylamines in Water with PS-PEG Resin-Supported Palladium Complexes

Hirai, Y; Uozumi, Y

CHEMISTRY-AN ASIAN JOURNAL 5 ( 8 ) 1788 - 1795 2010年

ISSN: 1861-4728

DOI
Highly Pure Synthesis, Spectral Assignments, and Two-Photon Properties of Cruciform Porphyrin Pentamers Fused with Benzene Units

Uoyama, H; Kim, KS; Kuroki, K; Shin, JY; Nagata, T; Okujima, T; Yamada, H; Ono, N; Kim, D; Uno, H

CHEMISTRY-A EUROPEAN JOURNAL 16 ( 13 ) 4063 - 4074 2010年

ISSN: 0947-6539

DOI
Inelastic electron tunneling spectra and vibronic coupling density analysis of 2,5-dimercapto-1,3,4-thiadiazole and tetrathiafulvalene dithiol

Shizu, K; Sato, T; Tanaka, K

NANOSCALE 2 ( 10 ) 2186 - 2194 2010年

ISSN: 2040-3364

DOI
Infrared photodissociation spectroscopy of Co+(NH3)n and Ni+(NH3)n: preference for tetrahedral or square-planar coordination

Imamura, T; Ohashi, K; Sasaki, J; Inoue, K; Furukawa, K; Judai, K; Nishi, N; Sekiya, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 ( 37 ) 11647 - 11656 2010年

ISSN: 1463-9076

DOI
Ligand exchange reactions in Cu(III) complexes: mechanistic insights by combined NMR and DFT studies

Gärtner, T; Yoshikai, N; Neumeier, M; Nakamura, E; Gschwind, RM

CHEMICAL COMMUNICATIONS 46 ( 25 ) 4625 - 4626 2010年

ISSN: 1359-7345

DOI
MANNOSE 6-PHOSPHATE RECEPTOR HOMOLOGY DOMAIN-CONTAINING LECTINS IN MAMMALIAN ENDOPLASMIC RETICULUM-ASSOCIATED DEGRADATION

Hosokawa, N; Kato, K; Kamiya, Y

METHODS IN ENZYMOLOGY, VOL 480: GLYCOBIOLOGY 480 181 - 197 2010年

ISBN: 978-0-12-380999-5

ISSN: 0076-6879

DOI
MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions

Nishihara, S; Saito, T; Yamanaka, S; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

MOLECULAR PHYSICS 108 ( 19-20 ) 2559 - 2578 2010年

ISSN: 0026-8976

DOI
MkMRCC, APUCC, APUBD calculations of didehydronated species: comparison among calculated through-bond effective exchange integrals for diradicals

Saito, T; Nishihara, S; Yamanaka, S; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

MOLECULAR PHYSICS 108 ( 19-20 ) 2533 - 2541 2010年

ISSN: 0026-8976

DOI
Nitrated Benzyne Derivatives of La@C82: Addition of NO2 and Its Positional Directing Effect on the Subsequent Addition of Benzynes

Lu, X; Nikawa, H; Tsuchiya, T; Akasaka, T; Toki, M; Sawa, H; Mizorogi, N; Nagase, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 49 ( 3 ) 594 - 597 2010年

ISSN: 1433-7851

DOI
Observation of Saturation Effect on Vacuum Ultraviolet Coherent Harmonic Generation at UVSOR-II

Tanikawa, T; Adachi, M; Zen, H; Hosaka, M; Yamamoto, N; Taira, Y; Katoh, M

APPLIED PHYSICS EXPRESS 3 ( 12 ) 2010年

ISSN: 1882-0778

DOI
Photoinduced four- and six-electron reduction of mononuclear ruthenium complexes having NAD+ analogous ligands

Fukushima, T; Wada, T; Ohtsu, H; Tanaka, K

DALTON TRANSACTIONS 39 ( 48 ) 11526 - 11534 2010年

ISSN: 1477-9226

DOI
Protein-Protein Interaction Changes in an Archaeal Light-Signal Transduction

Kandori, H; Sudo, Y; Furutani, Y

JOURNAL OF BIOMEDICINE AND BIOTECHNOLOGY 2010年

ISSN: 1110-7243

DOI
Regioselective Exohedral Functionalization of La@C82 and its 1,2,3,4,5-Pentamethylcyclopentadiene and Adamantylidene Adducts

Maeda, Y; Sato, S; Inada, K; Nikawa, H; Yamada, M; Mizorogi, N; Hasegawa, T; Tsuchiya, T; Akasaka, … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 16 ( 7 ) 2193 - 2197 2010年

ISSN: 0947-6539

DOI
Retro-reaction of singly bonded La@C82 derivatives

Takano, Y; Ishitsuka, MO; Tsuchiya, T; Akasaka, T; Kato, T; Nagase, S

CHEMICAL COMMUNICATIONS 46 ( 42 ) 8035 - 8036 2010年

ISSN: 1359-7345

DOI
Stability and Indium Incorporation Processes on In0.25Ga0.75N Surfaces under Growth Conditions: First-Principles Calculations

Akiyama, T; Yamashita, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 49 ( 3 ) 2010年

ISSN: 0021-4922

DOI
Synthesis and Characterization of Two of the Three Isomers of a Germanium-Substituted Bicyclo[2.2.0]hexane Diradicaloid: Stretching the Ge-Ge Bond

Wang, XP; Peng, Y; Zhu, ZL; Fettinger, JC; Power, PP; Guo, JD; Nagase, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 49 ( 27 ) 4593 - 4597 2010年

ISSN: 1433-7851

DOI
Synthesis and Crystallochromy of 1,4,7,10-Tetraalkyltetracenes: Tuning of Solid-State Optical Properties of Tetracenes by Alkyl Side-Chain Length

Kitamura, C; Abe, Y; Ohara, T; Yoneda, A; Kawase, T; Kobayashi, T; Naito, H; Komatsu, T

CHEMISTRY-A EUROPEAN JOURNAL 16 ( 3 ) 890 - 898 2010年

ISSN: 0947-6539

DOI
Synthesis and Properties of Terthiophene and Bithiophene Derivatives Functionalized by BF2 Chelation: A New Type of Electron Acceptor Based on Quadrupolar Structures

Ono, K; Nakashima, A; Tsuji, Y; Kinoshita, T; Tomura, M; Nishida, J; Yamashita, Y

CHEMISTRY-A EUROPEAN JOURNAL 16 ( 45 ) 13539 - 13546 2010年

ISSN: 0947-6539

DOI
Systematic Study on Ce:LuLiF4 as a Fast Scintillator Using Storage Ring Free-Electron Lasers

Nakazato, T; Furukawa, Y; Cadatal-Raduban, M; Pham, M; Tatsumi, T; Saiki, A; Arikawa, Y; Sarukura, … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS 49 ( 12 ) 2010年

ISSN: 0021-4922

DOI
The effect of atomic nitrogen on the C60 cage

Nikawa, H; Araki, Y; Slanina, Z; Tsuchiya, T; Akasaka, T; Wada, T; Ito, O; Dinse, KP; Ata, M; Kato, … 全著者表示

CHEMICAL COMMUNICATIONS 46 ( 4 ) 631 - 633 2010年

ISSN: 1359-7345

DOI
The effect of vibrational motion on the dynamics of shape resonant photoionization of BF3 leading to the E2A1′ state of BF3+

Lucchese, RR; Montuoro, R; Kotsis, K; Tashiro, M; Ehara, M; Bozek, JD; Das, A; Landry, A; Rathbone, … 全著者表示

MOLECULAR PHYSICS 108 ( 7-9 ) 1055 - 1067 2010年

ISSN: 0026-8976

DOI
The influence of alkaline earth ions on the structural organization of acetone probed by the noncoincidence effect of the ν(C=O) band: experimental and quantum chemical results

Giorgini, MG; Torii, H; Musso, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 ( 1 ) 183 - 192 2010年

ISSN: 1463-9076

DOI
Theoretical study of the opsin shift of deprotonated retinal schiff base in the M state of bacteriorhodopsin

Fujimoto, KJ; Asai, K; Hasegawa, J

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 ( 40 ) 13107 - 13116 2010年

ISSN: 1463-9076

DOI
Wave packet interferometry with attosecond precision and picometric structure

Katsuki, H; Chiba, H; Meier, C; Girard, B; Ohmori, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 ( 20 ) 5189 - 5198 2010年

ISSN: 1463-9076

DOI
Symmetry and Broken-Symmetry in Molecular Orbital Descriptions of Unstable Molecules. 3. The Nature of Chemical Bonds of Spin Frustrated Systems

Kawakami, T; Takeda, R; Nishihara, S; Saito, T; Shoji, M; Yamada, S; Yamanaka, S; Kitagawa, Y; Okum … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 52 ) 15281 - 15297 2009年12月31日

ISSN: 1089-5639

DOI
Theoretical Investigation of Thermal Decomposition of Peroxidized Coelenterazines with and without External Perturbations

Isobe, H; Yamanaka, S; Okumura, M; Yamaguchi, K

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 52 ) 15171 - 15187 2009年12月31日

ISSN: 1089-5639

DOI
Analysis of anisotropic local field in sum frequency generation spectroscopy with the charge response kernel water model

Ishiyama, T; Morita, A

JOURNAL OF CHEMICAL PHYSICS 131 ( 24 ) 2009年12月28日

ISSN: 0021-9606

DOI
Chemical bond elongation following core-excitation of ammonia: resonant Auger spectra calculation

Takahashi, O; Matsuyama, K; Tabayashi, K; Yamasaki, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 42 ( 24 ) 2009年12月28日

ISSN: 0953-4075

DOI
Highly planar amphiphilic porphyrins

Oda, M; Ishizuka, T; Arai, S; Takano, A; Jiang, DL

TETRAHEDRON LETTERS 50 ( 51 ) 7137 - 7140 2009年12月23日

ISSN: 0040-4039

DOI
Photochemical Stereospecific Hydrogenation of a Ru Complex with an NAD+/NADH-Type Ligand

Fukushima, T; Fujita, E; Muckerman, JT; Polyansky, DE; Wada, T; Tanaka, K

INORGANIC CHEMISTRY 48 ( 24 ) 11510 - 11512 2009年12月21日

ISSN: 0020-1669

DOI
Suppressed β-Effect of Silicon in 3-Silylated Monocyclic β-Lactams: The Role of Antiaromaticity

Bag, SS; Kundu, R; Basak, A; Slanina, Z

ORGANIC LETTERS 11 ( 24 ) 5722 - 5725 2009年12月17日

ISSN: 1523-7060

DOI
A possible scenario for the fragile-to-strong dynamic crossover predicted by the extended mode-coupling theory for glass transition

Chong, SH; Chen, SH; Mallamace, F

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 50 ) 2009年12月16日

ISSN: 0953-8984

DOI
Evidence of dynamic crossover phenomena in water and other glass-forming liquids: experiments, MD simulations and theory

Chen, SH; Zhang, Y; Lagi, M; Chong, SH; Baglioni, P; Mallamace, F

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 50 ) 2009年12月16日

ISSN: 0953-8984

DOI
Rational Design of Highly Effective Asymmetric Diels-Alder Catalysts Bearing 4,4′-Sulfonamidomethyl Groups

Sakakura, A; Kondo, R; Matsumura, Y; Akakura, M; Ishihara, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 49 ) 17762 - 17764 2009年12月16日

ISSN: 0002-7863

DOI
Absorption and emission spectra of ultraviolet B blocking methoxy substituted cinnamates investigated using the symmetry-adapted cluster configuration interaction method

Promkatkaew, M; Suramitr, S; Karpkird, TM; Namuangruk, S; Ehara, M; Hannongbua, S

JOURNAL OF CHEMICAL PHYSICS 131 ( 22 ) 2009年12月14日

ISSN: 0021-9606

DOI
Density functional method including weak interactions: Dispersion coefficients based on the local response approximation

Sato, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 131 ( 22 ) 2009年12月14日

ISSN: 0021-9606

DOI
Enhancement of electron transport by horizontal molecular orientation of oxadiazole planar molecules in organic amorphous films

Yokoyama, D; Sakaguchi, A; Suzuki, M; Adachi, C

APPLIED PHYSICS LETTERS 95 ( 24 ) 2009年12月14日

ISSN: 0003-6951

DOI
Molecular structure and carrier distributions at semiconductor/dielectric interfaces in organic field-effect transistors studied with sum frequency generation microscopy

Nakai, IF; Tachioka, M; Ugawa, A; Ueda, T; Watanabe, K; Matsumoto, Y

APPLIED PHYSICS LETTERS 95 ( 24 ) 2009年12月14日

ISSN: 0003-6951

DOI
Vibrational and rotational structure and excited-state dynamics of pyrene

Baba, M; Saitoh, M; Kowaka, Y; Taguma, K; Yoshida, K; Semba, Y; Kasahara, S; Yamanaka, T; Ohshima, … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 131 ( 22 ) 2009年12月14日

ISSN: 0021-9606

DOI
Pressure Tuning of an Ionic Insulator into a Heavy Electron Metal: An Infrared Study of YbS

Matsunami, M; Okamura, H; Ochiai, A; Nanba, T

PHYSICAL REVIEW LETTERS 103 ( 23 ) 2009年12月04日

ISSN: 0031-9007

DOI
Insights into the (Superoxo)Fe(III)Fe(III) Intermediate and Reaction Mechanism of myo-Inositol Oxygenase: DFT and ONIOM(DFT:MM) Study

Hirao, H; Morokuma, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 47 ) 17206 - 17214 2009年12月02日

ISSN: 0002-7863

DOI
Ab initio-Based Study for Adatom Kinetics on Semipolar GaN(11(2)over-bar2) Surfaces

Akiyama, T; Yamashita, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 48 ( 12 ) 2009年12月

ISSN: 0021-4922

DOI
Application of a simple asynchronous mechanical light chopper to multielectron coincidence spectroscopy

Ito, K; Penent, F; Hikosaka, Y; Shigemasa, E; Suzuki, IH; Eland, JHD; Lablanquie, P

REVIEW OF SCIENTIFIC INSTRUMENTS 80 ( 12 ) 2009年12月

ISSN: 0034-6748

DOI
Approximately Spin-Projected Hessian for Broken Symmetry Method and Stretching Frequencies of F2 and Singlet O2

Kitagawa, Y; Saito, T; Nakanishi, Y; Kataoka, Y; Shoji, M; Koizumi, K; Kawakami, T; Okumura, M; Yam … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 15 ) 3641 - 3648 2009年12月

ISSN: 0020-7608

DOI
Assembly State of Proteasome Activator 28 in an Aqueous Solution as Studied by Small-Angle Neutron Scattering

Sugiyama, M; Kurimoto, E; Morimoto, Y; Sahashi, H; Sakata, E; Hamada, K; Itoh, K; Mori, K; Fukunaga … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 12 ) 2009年12月

ISSN: 0031-9015

DOI
Auger-electron spectra of F3SiCH2CH2Si(CH3)3 obtained by using monochromatized synchrotron radiation

Nagaoka, S; Nitta, A; Tamenori, Y; Fukuzawa, H; Ueda, K; Takahashi, O; Kakiuchi, T; Kitajima, Y; Ma … 全著者表示

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 175 ( 1-3 ) 14 - 20 2009年12月

ISSN: 0368-2048

DOI
Density Functional Study of Roles of Porphyrin Ring in Electronic Structures of Heme

Takano, Y; Nakamura, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 15 ) 3583 - 3591 2009年12月

ISSN: 0020-7608

DOI
Estimation of Effective Exchange Integral Value of Polyradical Systems Based on the Band Calculation

Nakanishi, Y; Kitagawa, Y; Saito, T; Kataoka, Y; Matsui, T; Kawakami, T; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 15 ) 3632 - 3640 2009年12月

ISSN: 0020-7608

DOI
Extended Hartree-Fock Theory of Chemical Reactions. IX. Diradical and Perepoxide Mechanisms for Oxygenations of Ethylene With Molecular Oxygen and Iron-Oxo Species Are Revisited

Yamaguchi, K; Yamanaka, S; Shimada, J; Isobe, H; Saito, T; Shoji, M; Kitagawa, Y; Okumura, M

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 15 ) 3745 - 3766 2009年12月

ISSN: 0020-7608

DOI
Flexibility of paramagnetic (d1) organometallic dithiolene complex [Cp2Mo(dmit)1+• studied by Raman spectroscopy

Swietlik, R; Lapinski, A; Fourmigué, M; Yakushi, K

JOURNAL OF RAMAN SPECTROSCOPY 40 ( 12 ) 2092 - 2098 2009年12月

ISSN: 0377-0486

DOI
Influence of membrane curvature on the structure of the membrane-associated pleckstrin homology domain of phospholipase C-δ1

Uekama, N; Aoki, T; Maruoka, T; Kurisu, S; Hatakeyama, A; Yamaguchi, S; Okada, M; Yagisawa, H; Nish … 全著者表示

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES 1788 ( 12 ) 2575 - 2583 2009年12月

ISSN: 0005-2736

DOI
Luminescent properties of BaCl2 under VUV excitation

Onodera, K; Koshimizu, M; Asai, K

RADIATION PHYSICS AND CHEMISTRY 78 ( 12 ) 1031 - 1033 2009年12月

ISSN: 0969-806X

DOI
Qualitative Prediction of Conduction Band Valley Profile in Silicon Thin Films from Bulk Properties by Density Functional k • p Perturbation Theory

Yamauchi, J

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 6 ( 12 ) 2559 - 2566 2009年12月

ISSN: 1546-1955

DOI
Resonating Coupled-Cluster CI Approach to Ion-Radical Systems: Comparison with the Unrestricted Coupled-Cluster Approach

Yamanaka, S; Nishihara, S; Nakata, K; Yonezawa, Y; Okumura, M; Takada, T; Nakamura, H; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 15 ) 3811 - 3818 2009年12月

ISSN: 0020-7608

DOI
Seed level requirement for improving the temporal coherence of a Free-Electron Laser

Lambert, G; Hara, T; Labat, M; Tanikawa, T; Tanaka, Y; Yabashi, M; Garzella, D; Carré, B; Couprie, … 全著者表示

EPL 88 ( 5 ) 2009年12月

ISSN: 0295-5075

DOI
Surface Reconstructions on GaN and InN Semipolar (11(2)over-bar2) Surfaces

Yamashita, T; Akiyama, T; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 48 ( 12 ) 2009年12月

ISSN: 0021-4922

DOI
Theoretical Studies on Chemical Bonding Between Cu(II) and Oxygen Molecule in Type 3 Copper Proteins

Saito, T; Kataoka, Y; Nakanishi, Y; Matsui, T; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 15 ) 3649 - 3658 2009年12月

ISSN: 0020-7608

DOI
Theory of Chemical Bonds in Metalloenzymes XIII: Singlet and Triplet Diradical Mechanisms of Hydroxylations With Iron-Oxo Species and P450 are Revisited

Yamaguchi, K; Yamanaka, S; Isobe, H; Shoji, M; Saito, T; Kitagawa, Y; Okumura, M; Shimada, J

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 15 ) 3723 - 3744 2009年12月

ISSN: 0020-7608

DOI
Vacuum ultraviolet luminescence from a micro-pulling-down method grown Nd3+:(La0.9,Ba0.1)F2.9

Cadatal, M; Furukawa, Y; Ono, S; Pham, M; Estacio, E; Nakazato, T; Shimizu, T; Sarukura, N; Fukuda, … 全著者表示

JOURNAL OF LUMINESCENCE 129 ( 12 ) 1629 - 1631 2009年12月

ISSN: 0022-2313

DOI
An ab initio-based approach to adsorption-desorption behavior of Si adatoms on GaAs(111)A-(2 x 2) surfaces

Tatematsu, H; Akiyama, T; Nakamura, K; Ito, T

APPLIED SURFACE SCIENCE 256 ( 4 ) 1164 - 1167 2009年11月30日

ISSN: 0169-4332

DOI
Oscillator strength distribution of C60 in the time-dependent density functional theory

Kawashita, Y; Yabana, K; Noda, M; Nobusada, K; Nakatsukasa, T

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 914 ( 1-3 ) 130 - 135 2009年11月30日

ISSN: 0166-1280

DOI
Systematic theoretical investigation for adsorption behavior of Al and N atoms on 4H-SiC (1 1 (2)over-bar 0) surfaces

Ito, T; Akiyama, T; Nakamura, K; Ito, T

APPLIED SURFACE SCIENCE 256 ( 4 ) 1160 - 1163 2009年11月30日

ISSN: 0169-4332

DOI
Systematic theoretical investigations for contribution of lattice constraint to novel atomic arrangements in alloy semiconductor thin films

Ito, T; Takasu, N; Akiyama, T; Nakamura, K

APPLIED SURFACE SCIENCE 256 ( 4 ) 1218 - 1221 2009年11月30日

ISSN: 0169-4332

DOI
Theoretical investigation on the structural stability of GaP nanowires with {111} facets

Yamashita, T; Akiyama, T; Nakamura, K; Ito, T

APPLIED SURFACE SCIENCE 256 ( 4 ) 1054 - 1057 2009年11月30日

ISSN: 0169-4332

DOI
Ultrafast Angular Momentum Orientation by Linearly Polarized Laser Fields

Kitano, K; Hasegawa, H; Ohshima, Y

PHYSICAL REVIEW LETTERS 103 ( 22 ) 2009年11月27日

ISSN: 0031-9007

DOI
Transition state optimization based on approximate spin-projection (AP) method

Saito, T; Nishihara, S; Kataoka, Y; Nakanishi, Y; Matsui, T; Kitagawa, Y; Kawakami, T; Okumura, M; … 全著者表示

CHEMICAL PHYSICS LETTERS 483 ( 1-3 ) 168 - 171 2009年11月24日

ISSN: 0009-2614

DOI
Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the nπ* state

Ootani, Y; Satoh, K; Nakayama, A; Noro, T; Taketsugu, T

JOURNAL OF CHEMICAL PHYSICS 131 ( 19 ) 2009年11月21日

ISSN: 0021-9606

DOI
BS DFT and BS HDFT Studies of Cr-Cr Sextuple Bond from the Viewpoint of Electron Correlation Effects

Kitagawa, Y; Nakanishi, Y; Saito, T; Kawakami, T; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 14 ) 3315 - 3324 2009年11月15日

ISSN: 0020-7608

DOI
Intramolecular energy transfer in 3-amino-N-(7′-methoxy-4′-methylcoumaryl)phthalimide

Nakazono, M; Saita, K; Kurihara, C; Nanbu, S; Zaitsu, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 208 ( 1 ) 21 - 26 2009年11月15日

ISSN: 1010-6030

DOI
X-ray Crystal Structure of Michaelis Complex of Aldoxime Dehydratase

Sawai, H; Sugimoto, H; Kato, Y; Asano, Y; Shiro, Y; Aono, S

JOURNAL OF BIOLOGICAL CHEMISTRY 284 ( 46 ) 32089 - 32096 2009年11月13日

DOI
Theoretical Study on the f-f Transition Intensities of Lanthanide Trihalide Systems

Hatanaka, M; Yabushita, S

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 45 ) 12615 - 12625 2009年11月12日

ISSN: 1089-5639

DOI
Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination

Peng, Y; Guo, JD; Ellis, BD; Zhu, ZL; Fettinger, JC; Nagase, S; Power, PP

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 44 ) 16272 - 16282 2009年11月11日

ISSN: 0002-7863

DOI
Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium-Ethylene Complexes

Segawa, Y; Yamashita, M; Nozaki, K

ORGANOMETALLICS 28 ( 21 ) 6234 - 6242 2009年11月09日

ISSN: 0276-7333

DOI
Ab initio study of the excited singlet states of all-trans α,ω-diphenylpolyenes with one to seven polyene double bonds: Simulation of the spectral data within Franck-Condon approximation

Mizukami, W; Kurashige, Y; Ehara, M; Yanai, T; Itoh, T

JOURNAL OF CHEMICAL PHYSICS 131 ( 17 ) 2009年11月07日

ISSN: 0021-9606

DOI
Hydrogen bonding in acetone clusters probed by near-edge x-ray absorption fine structure spectroscopy in the carbon and oxygen K-edge regions

Tamenori, Y; Takahashi, O; Yamashita, K; Yamaguchi, T; Okada, K; Tabayashi, K; Gejo, T; Honma, K

JOURNAL OF CHEMICAL PHYSICS 131 ( 17 ) 2009年11月07日

ISSN: 0021-9606

DOI
Several transition states from 4C1 to skew conformations of β-D-glucopyranose

Kurihara, Y; Ueda, K

CARBOHYDRATE RESEARCH 344 ( 16 ) 2266 - 2269 2009年11月02日

ISSN: 0008-6215

DOI
C-Terminal Region-Dependent Change of Antibody-Binding to the Eighth Reelin Repeat Reflects the Signaling Activity of Reelin

Kohno, T; Nakano, Y; Kitoh, N; Yagi, H; Kato, K; Baba, A; Hattori, M

JOURNAL OF NEUROSCIENCE RESEARCH 87 ( 14 ) 3043 - 3053 2009年11月01日

ISSN: 0360-4012

DOI
Ab initio MO-CI based quantum master equation approach: Exciton dynamics of weakly and strongly coupled J-type aggregates

Kishi, R; Nakano, M; Minami, T; Fukui, H; Nagai, H; Yoneda, K; Takahashi, H

SYNTHETIC METALS 159 ( 21-22 ) 2194 - 2197 2009年11月

ISSN: 0379-6779

DOI
Applicability of Site-Basis Time-Evolution Equation for Thermalization of Exciton States in a Quantum Dot Array

Kubota, Y; Nobusada, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 11 ) 2009年11月

ISSN: 0031-9015

DOI
Control of third-order nonlinear optical properties of singlet diradical square planar metal complexes involving o-semiquinonato type ligands

Fukui, H; Nagai, H; Kishi, R; Minami, T; Takahashi, H; Kubo, T; Nakano, M

SYNTHETIC METALS 159 ( 21-22 ) 2416 - 2418 2009年11月

ISSN: 0379-6779

DOI
Coordination-Insertion Copolymerization of Fundamental Polar Monomers

Nakamura, A; Ito, S; Nozaki, K

CHEMICAL REVIEWS 109 ( 11 ) 5215 - 5244 2009年11月

ISSN: 0009-2665

DOI
Electronic structure and optical properties of chelating heteroatomic conjugated molecules: a SAC-CI study

Lu, YP; Ehara, M

THEORETICAL CHEMISTRY ACCOUNTS 124 ( 5-6 ) 395 - 408 2009年11月

ISSN: 1432-881X

DOI
Evidence for exchange interaction between donor and acceptor layers in β'-(BEDT-TTF)(TCNQ)

Eto, Y; Kawamoto, A; Matsunaga, N; Nomura, K; Yamamoto, K; Yakushi, K

PHYSICAL REVIEW B 80 ( 17 ) 2009年11月

ISSN: 2469-9950

DOI
Optical control and mode selective excitation of coherent phonons in YBa2Cu3O7-δ

Takahashi, H; Kato, K; Nakano, H; Kitajima, M; Ohmori, K; Nakamura, KG

SOLID STATE COMMUNICATIONS 149 ( 43-44 ) 1955 - 1957 2009年11月

ISSN: 0038-1098

DOI
Slow dynamics in random media: Crossover from glass to localization transition

Kim, K; Miyazaki, K; Saito, S

EPL 88 ( 3 ) 2009年11月

ISSN: 0295-5075

DOI
Third-order nonlinear optical properties of open-shell singlet molecular aggregates composed of diphenalenyl diradicals

Nakano, M; Fukui, H; Nagai, H; Minami, T; Kishi, R; Takahashi, H

SYNTHETIC METALS 159 ( 21-22 ) 2413 - 2415 2009年11月

ISSN: 0379-6779

DOI
Up-and-down topological mode of amyloid β-peptide lying on hydrophilic/hydrophobic interface of ganglioside clusters

Utsumi, M; Yamaguchi, Y; Sasakawa, H; Yamamoto, N; Yanagisawa, K; Kato, K

GLYCOCONJUGATE JOURNAL 26 ( 8 ) 999 - 1006 2009年11月

ISSN: 0282-0080

DOI
Site-specific behavior in de-excitation spectra of F3SiCH2CH2Si(CH3)3 in the Si 1s excitation region

Suzuki, IH; Nitta, A; Fukuzawa, H; Ueda, K; Takahashi, O; Tamenori, Y; Nagaoka, S

JOURNAL OF CHEMICAL PHYSICS 131 ( 16 ) 2009年10月28日

ISSN: 0021-9606

DOI
Ultrafast energy relaxation and anisotropy decay of the librational motion in liquid water: A molecular dynamics study

Yagasaki, T; Ono, J; Saito, S

JOURNAL OF CHEMICAL PHYSICS 131 ( 16 ) 2009年10月28日

ISSN: 0021-9606

DOI
Circular Dichroism and Absorption Spectroscopy for Three-Membered Ring Compounds Using Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method

Miyahara, T; Hasegawa, JY; Nakatsuji, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 10 ) 1215 - 1226 2009年10月15日

ISSN: 0009-2673

DOI
Structure and Enantio-Differentiating Behaviors of Nickel(II) Complexes with Chiral Schiff Base Ligands Derived from 1,1′-Binaphthyl-2,2′-diamine

Saito, M; Sato, H; Mori, Y; Fukuda, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 10 ) 1266 - 1273 2009年10月15日

ISSN: 0009-2673

DOI
Catalytic Hydrogenation of Carbon Dioxide Using Ir(III)-Pincer Complexes

Tanaka, R; Yamashita, M; Nozaki, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 40 ) 14168 - + 2009年10月14日

ISSN: 0002-7863

DOI
Group-4 Transition-Metal Boryl Complexes: Syntheses, Structures, Boron-Metal Bonding Properties, and Application as a Polymerization Catalyst

Terabayashi, T; Kajiwara, T; Yamashita, M; Nozaki, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 40 ) 14162 - + 2009年10月14日

ISSN: 0002-7863

DOI
Size-Scaling of Proton Conductivity in Amorphous Aluminosilicate Acid Thin Films

Aoki, Y; Habazaki, H; Kunitake, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 40 ) 14399 - 14406 2009年10月14日

ISSN: 0002-7863

DOI
Third-order nonlinear optical properties of trigonal, rhombic and bow-tie graphene nanoflakes with strong structural dependence of diradical character

Yoneda, K; Nakano, M; Kishi, R; Takahashi, H; Shimizu, A; Kubo, T; Kamada, K; Ohta, K; Champagne, B … 全著者表示

CHEMICAL PHYSICS LETTERS 480 ( 4-6 ) 278 - 283 2009年10月08日

ISSN: 0009-2614

DOI
Chromium Acetylide Complex Based Ferrimagnet and Weak Ferromagnet

Nishijo, J; Judai, K; Numao, S; Nishi, N

INORGANIC CHEMISTRY 48 ( 19 ) 9402 - 9408 2009年10月05日

ISSN: 0020-1669

DOI
Electroconductive Porous Coordination Polymer Cu[Cu(pdt)2] Composed of Donor and Acceptor Building Units

Takaishi, S; Hosoda, M; Kajiwara, T; Miyasaka, H; Yamashita, M; Nakanishi, Y; Kitagawa, Y; Yamaguch … 全著者表示

INORGANIC CHEMISTRY 48 ( 19 ) 9048 - 9050 2009年10月05日

ISSN: 0020-1669

DOI
Rechargeable Batteries Driven by Redox Reactions of Mn12 Clusters with Structural Changes: XAFS Analyses of the Charging/Discharging Processes in Molecular Cluster Batteries

Yoshikawa, H; Hamanaka, S; Miyoshi, Y; Kondo, Y; Shigematsu, S; Akutagawa, N; Sato, M; Yokoyama, T; … 全著者表示

INORGANIC CHEMISTRY 48 ( 19 ) 9057 - 9059 2009年10月05日

ISSN: 0020-1669

DOI
Transverse-Longitudinal Coupling Effect in Laser Bunch Slicing

Shimada, M; Katoh, M; Adachi, M; Tanikawa, T; Kimura, S; Hosaka, M; Yamamoto, N; Takashima, Y; Taka … 全著者表示

PHYSICAL REVIEW LETTERS 103 ( 14 ) 2009年10月02日

ISSN: 0031-9007

DOI
ORIGIN OF ORGANIC GLOBULES IN METEORITES: LABORATORY SIMULATION USING AROMATIC HYDROCARBONS

Saito, M; Kimura, Y

ASTROPHYSICAL JOURNAL LETTERS 703 ( 2 ) L147 - L151 2009年10月01日

ISSN: 2041-8205

DOI
Synthesis, Crystal Structure, and Electron-Accepting Property of the BF2 Complex of a Dihydroxydione with a Perfluorotetracene Skeleton

Ono, K; Hashizume, J; Yamaguchi, H; Tomura, M; Nishida, J; Yamashita, Y

ORGANIC LETTERS 11 ( 19 ) 4326 - 4329 2009年10月01日

ISSN: 1523-7060

DOI
An Unsymmetrical Tetrathiafulvalene with a Fused 1,2,5-Thiadiazole Ring and Methylthio Groups

Tomura, M; Yamashita, Y

MOLECULES 14 ( 10 ) 4266 - 4274 2009年10月

DOI
Anomalous Temperature Dependence of g-Tensor in Organic Conductor, (TMTTF)2X (X = Br, PF6, and SbF6)

Furukawa, K; Hara, T; Nakamura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 10 ) 2009年10月

ISSN: 0031-9015

DOI
Electronic Properties of a TMTTF-Family Salt, (TMTTF)2TaF6: New Member Located on the Modified Generalized Phase-Diagram

Iwase, F; Sugiura, K; Furukawa, K; Nakamura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 10 ) 2009年10月

ISSN: 0031-9015

DOI
Electronic Temperature in Divide-and-Conquer Electronic Structure Calculation Revisited: Assessment and Improvement of Self-Consistent Field Convergence

Akama, T; Kobayashi, M; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 12 ) 2706 - 2713 2009年10月

ISSN: 0020-7608

DOI
First-Principles Local-Density Approximation Study of Electronic Structure in CeCoSi2

Yasui, A; Yamagami, H; Im, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 10 ) 2009年10月

ISSN: 0031-9015

DOI
Hydration effects on the reaction with an open-shell transition state: QM/MM-ER study for the dehydration reaction of alcohol in hot water

Takahashi, H; Miki, F; Ohno, H; Kishi, R; Ohta, S; Furukawa, SI; Nakano, M

JOURNAL OF MATHEMATICAL CHEMISTRY 46 ( 3 ) 781 - 794 2009年10月

ISSN: 0259-9791

DOI
Nonuniform light-matter interaction theory for near-field-induced electron dynamics

Iwasa, T; Nobusada, K

PHYSICAL REVIEW A 80 ( 4 ) 2009年10月

ISSN: 1050-2947

DOI
Quantitative Approach to the Understanding of Catalytic Effect of Metal Oxides on the Desorption Reaction of MgH2

Hirate, H; Saito, Y; Nakaya, I; Sawai, H; Shinzato, Y; Yukawa, H; Morinaga, M; Baba, T; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 12 ) 2793 - 2800 2009年10月

ISSN: 0020-7608

DOI
Reconstructions of GaN and InN Semipolar (10(1)over-bar(1)over-bar) Surfaces

Akiyama, T; Ammi, D; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 48 ( 10 ) 2009年10月

ISSN: 0021-4922

DOI
Sugar-binding activity of the MRH domain in the ER α-glucosidase II β subunit is important for efficient glucose trimming

Hu, D; Kamiya, Y; Totani, K; Kamiya, D; Kawasaki, N; Yamaguchi, D; Matsuo, I; Matsumoto, N; Ito, Y; … 全著者表示

GLYCOBIOLOGY 19 ( 10 ) 1127 - 1135 2009年10月

ISSN: 0959-6658

DOI
Silkworm expression and sugar profiling of human immune cell surface receptor, KIR2DL1

Sasaki, K; Kajikawa, M; Kuroki, K; Motohashi, T; Shimojima, T; Park, EY; Kondo, S; Yagi, H; Kato, K … 全著者表示

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 387 ( 3 ) 575 - 580 2009年09月25日

ISSN: 0006-291X

DOI
Theoretical Studies on Sulfur and Metal Cation (Cu(II), Ni(II), Pd(II), and Pt(II))-Containing Artificial DNA

Matsui, T; Miyachi, H; Nakanishi, Y; Shigeta, Y; Sato, T; Kitagawa, Y; Okumura, M; Hirao, K

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 38 ) 12790 - 12795 2009年09月24日

ISSN: 1520-6106

DOI
Divide-and-conquer-based linear-scaling approach for traditional and renormalized coupled cluster methods with single, double, and noniterative triple excitations

Kobayashi, M; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 131 ( 11 ) 2009年09月21日

ISSN: 0021-9606

DOI
Remarkable two-photon absorption in open-shell singlet systems

Nakano, M; Yoneda, K; Kishi, R; Takahashi, H; Kubo, T; Kamada, K; Ohta, K; Botek, E; Champagne, B

JOURNAL OF CHEMICAL PHYSICS 131 ( 11 ) 2009年09月21日

ISSN: 0021-9606

DOI
Strong double excitation and open-shell features in the near-edge x-ray absorption fine structure spectroscopy of ferrocene and ferrocenium compounds

Otero, E; Kosugi, N; Urquhart, SG

JOURNAL OF CHEMICAL PHYSICS 131 ( 11 ) 2009年09月21日

ISSN: 0021-9606

DOI
Single-Component Molecular Conductor [Pt(tmdt)2] (tmdt = trimethylenetetrathiafulvalenedithiolate) - An Advanced Molecular Metal Exhibiting High Metallicity

Zhou, B; Kobayashi, A; Okano, Y; Nakashima, T; Aoyagi, S; Nishibori, E; Sakata, M; Tokumoto, M; Kob … 全著者表示

ADVANCED MATERIALS 21 ( 35 ) 3596 - + 2009年09月18日

ISSN: 0935-9648

DOI
Vibrational Spectroscopic Response of Intermolecular Orientational Correlation at the Water Surface

Ishiyama, T; Morita, A

JOURNAL OF PHYSICAL CHEMISTRY C 113 ( 37 ) 16299 - 16302 2009年09月17日

ISSN: 1932-7447

DOI
Color Tuning Mechanism of Human Red, Green, and Blue Cone Pigments: SAC-CI Theoretical Study

Fujimoto, K; Hasegawa, J; Nakatsuji, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 9 ) 1140 - 1148 2009年09月15日

ISSN: 0009-2673

DOI
Extension of Density Functional Theory to Nuclear Orbital plus Molecular Orbital Theory: Self-Consistent Field Calculations with the Colle-Salvetti Electron-Nucleus Correlation Functional

Imamura, Y; Tsukamoto, Y; Kiryu, H; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 9 ) 1133 - 1139 2009年09月15日

ISSN: 0009-2673

DOI
Gallosilicate-Based Catalysts for NOx-SCR with CH4

Nagashima, K; Nakamura, S; Okada, K; Nakahira, A; Aritani, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 9 ) 1203 - 1208 2009年09月15日

ISSN: 0009-2673

DOI
Theoretical studies of the magnetic couplings and the chemical indices of the biomimetic models of oxyhemocyanin and oxytyrosinase

Takano, Y; Koizumi, K; Nakamura, H

INORGANICA CHIMICA ACTA 362 ( 12 ) 4578 - 4584 2009年09月15日

ISSN: 0020-1693

DOI
Theoretical studies on the role of bridging group of CGC type ligands for the Ziegler-Natta catalysis

Sakai, S; Kojima, Y

JOURNAL OF ORGANOMETALLIC CHEMISTRY 694 ( 20 ) 3276 - 3280 2009年09月15日

ISSN: 0022-328X

DOI
Mechanism and Dynamic Correlation Effects in Cycloaddition Reactions of Singlet Difluorocarbene to Alkenes and Disilene

Gao, XF; Ohtsuka, Y; Ishimura, K; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 36 ) 9852 - 9860 2009年09月10日

ISSN: 1089-5639

DOI
The inhomogeneous structure of water at ambient conditions

Huang, C; Wikfeldt, KT; Tokushima, T; Nordlund, D; Harada, Y; Bergmann, U; Niebuhr, M; Weiss, TM; H … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 106 ( 36 ) 15214 - 15218 2009年09月08日

ISSN: 0027-8424

DOI
Syntheses of the Terpyridine-Bipyridine Linked Binary Ligands and Structural and Redox Properties of Their Cobalt Complexes

Kon, H; Nagata, T

INORGANIC CHEMISTRY 48 ( 17 ) 8593 - 8602 2009年09月07日

ISSN: 0020-1669

DOI
Aquacatalytic Aerobic Oxidation of Benzylic Alcohols with a Self-supported Bipyridyl-Palladium Complex

Osako, T; Uozumi, Y

CHEMISTRY LETTERS 38 ( 9 ) 902 - 903 2009年09月05日

ISSN: 0366-7022

DOI
Intramolecular Addition of Toluenesulfonamide to Unactivated Alkenes Catalyzed by Gold Nanoclusters under Aerobic Conditions

Kitahara, H; Kamiya, I; Sakurai, H

CHEMISTRY LETTERS 38 ( 9 ) 908 - 909 2009年09月05日

ISSN: 0366-7022

DOI
Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes

Kurahashi, T; Hada, M; Fujii, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 34 ) 12394 - 12405 2009年09月02日

ISSN: 0002-7863

DOI
Ligand Mapping on Protein Surfaces by the 3D-RISM Theory: Toward Computational Fragment-Based Drug Design

Imai, T; Oda, K; Kovalenko, A; Hirata, F; Kidera, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 34 ) 12430 - 12440 2009年09月02日

ISSN: 0002-7863

DOI
Location of the Yttrium Atom in Y@C82 and Its Influence on the Reactivity of Cage Carbons

Lu, X; Nikawa, H; Feng, L; Tsuchiya, T; Maeda, Y; Akasaka, T; Mizorogi, N; Slanina, Z; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 34 ) 12066 - + 2009年09月02日

ISSN: 0002-7863

DOI
(3Z,3′Z)-3,3′-(Ethane-1,2-diylidene)bis[isobenzofuran-1(3H)-one]

Ono, K; Tokura, O; Tomura, M

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 65 O2118 - U1726 2009年09月

ISSN: 1600-5368

DOI
Exceeding 20 000-fold concentration of protein by the on-line isotachophoresis concentration in poly(methyl methacrylate) microchip

Wang, J; Zhang, Y; Mohamadi, MR; Kaji, N; Tokeshi, M; Baba, Y

ELECTROPHORESIS 30 ( 18 ) 3250 - 3256 2009年09月

ISSN: 0173-0835

DOI
Molecular Dynamics Simulation of Nonlinear Spectroscopies of Intermolecular Motions in Liquid Water

Yagasaki, T; Saito, S

ACCOUNTS OF CHEMICAL RESEARCH 42 ( 9 ) 1250 - 1258 2009年09月

ISSN: 0001-4842

DOI
Molecular modeling of human cytochrome P450 2W1 and its interactions with substrates

Li, WH; Tang, Y; Hoshino, T; Neya, S

JOURNAL OF MOLECULAR GRAPHICS & MODELLING 28 ( 2 ) 170 - 176 2009年09月

ISSN: 1093-3263

DOI
One-Body Energy Decomposition Schemes Revisited: Assessment of Mulliken-, Grid-, and Conventional Energy Density Analyses

Kikuchi, Y; Imamura, Y; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 11 ) 2464 - 2473 2009年09月

ISSN: 0020-7608

DOI
Probing the mechanism of simultaneous two-electron emission on core-hole decay

Hikosaka, Y; Lablanquie, P; Penent, F; Selles, P; Kaneyasu, T; Shigemasa, E; Eland, JHD; Ito, K

PHYSICAL REVIEW A 80 ( 3 ) 2009年09月

ISSN: 1050-2947

DOI
SMOOTHED PROFILE METHOD TO SIMULATE COLLOIDAL PARTICLES IN COMPLEX FLUIDS

Yamamoto, R; Nakayama, Y; Kim, K

INTERNATIONAL JOURNAL OF MODERN PHYSICS C 20 ( 9 ) 1457 - 1465 2009年09月

ISSN: 0129-1831

DOI
Superconductivity competitive with checkerboard-type charge ordering in the organic conductor β-(meso-DMBEDT-TTF)2PF6

Morinaka, N; Takahashi, K; Chiba, R; Yoshikane, F; Niizeki, S; Tanaka, M; Yakushi, K; Koeda, M; Hed … 全著者表示

PHYSICAL REVIEW B 80 ( 9 ) 2009年09月

ISSN: 1098-0121

DOI
Theoretical Study on Exciton Dynamics in Dendritic Systems: Exciton Recurrence and Migration

Nakano, M; Kishi, R; Minami, T; Yoneda, K

MOLECULES 14 ( 9 ) 3700 - 3718 2009年09月

DOI
Electronic structure of Zr-based metallic glasses

Hasegawa, M; Sato, H; Takeuchi, B; Soda, K; Mizutani, U

JOURNAL OF ALLOYS AND COMPOUNDS 483 ( 1-2 ) 638 - 641 2009年08月26日

ISSN: 0925-8388

DOI
Nucleophilic substitution reaction at an sp2 carbon of vinyl halides with an intramolecular thiol moiety: synthesis of thio-heterocycles

Lei, MY; Xiao, YJ; Liu, WM; Fukamizu, K; Chiba, S; Ando, K; Narasaka, K

TETRAHEDRON 65 ( 34 ) 6888 - 6902 2009年08月22日

ISSN: 0040-4020

DOI
Accelerating Convergence in Iterative Solution for Large-Scale Complete Active Space Self-Consistent-Field Calculations

Yanai, T; Kurashige, Y; Ghosh, D; Chan, GKL

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 10 ) 2178 - 2190 2009年08月15日

ISSN: 0020-7608

DOI
Distinct Features of Matrix-Assisted 6 μm Infrared Laser Desorption/Ionization Mass Spectrometry in Biomolecular Analysis

Tajiri, M; Takeuchi, T; Wada, Y

ANALYTICAL CHEMISTRY 81 ( 16 ) 6750 - 6755 2009年08月15日

ISSN: 0003-2700

DOI
Dual-Level Hierarchical Scheme for Linear-Scaling Divide-and-Conquer Correlation Theory

Kobayashi, M; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 10 ) 2227 - 2237 2009年08月15日

ISSN: 0020-7608

DOI
Efficient Parallel Algorithm of Second-Order Moller-Plesset Perturbation Theory with Resolution-of-Identity Approximation (RI-MP2)

Katouda, M; Nagase, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 10 ) 2121 - 2130 2009年08月15日

ISSN: 0020-7608

DOI
Electronic Structure of Yttrium and Carbon Atoms Encapsulated Metallofullerenes, Y2C2@C82: Ultraviolet Photoelectron Spectroscopy and Theoretical Calculation

Hino, S; Miyazaki, T; Aoki, Y; Wanita, N; Kato, M; Sumii, R; Akachi, T; Inoue, T; Ito, Y; Sugai, T; … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 8 ) 963 - 967 2009年08月15日

ISSN: 0009-2673

DOI
Sequence Dependent Proton-Transfer Reaction in Stacked GC Pair I: The Possibility of Proton-Transfer Reactions

Matsui, T; Sato, T; Shigeta, Y

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 10 ) 2168 - 2177 2009年08月15日

ISSN: 0020-7608

DOI
Size Determination of Gold Clusters by Polyacrylamide Gel Electrophoresis in a Large Cluster Region

Kimura, K; Sugimoto, N; Sato, S; Yao, H; Negishi, Y; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 113 ( 32 ) 14076 - 14082 2009年08月13日

ISSN: 1932-7447

DOI
Missing Metallofullerene with C80 Cage

Nikawa, H; Yamada, T; Cao, BP; Mizorogi, N; Slanina, Z; Tsuchiya, T; Akasaka, T; Yoza, K; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 31 ) 10950 - 10954 2009年08月12日

ISSN: 0002-7863

DOI
Comparison of the N-linked glycosylation of human β1,3-N-acetylglucosaminyltransferase 2 expressed in insect cells and silkworm larvae

Dojima, T; Nishina, T; Kato, T; Uno, B; Yagi, H; Kato, K; Park, EY

JOURNAL OF BIOTECHNOLOGY 143 ( 1 ) 27 - 33 2009年08月10日

ISSN: 0168-1656

DOI
Electron donor solvent effects on the (hyper)polarizabilities of a singlet diradical molecule involving a boron atom

Kubota, K; Takahashi, H; Fukui, H; Bonness, S; Yoneda, K; Kishi, R; Kubo, T; Kamada, K; Ohta, K; Ch … 全著者表示

CHEMICAL PHYSICS LETTERS 477 ( 4-6 ) 309 - 314 2009年08月06日

ISSN: 0009-2614

DOI
Theoretical study on third-order nonlinear optical properties in hexagonal graphene nanoflakes: Edge shape effect

Nagai, H; Nakano, M; Yoneda, K; Fukui, H; Minami, T; Bonness, S; Kishi, R; Takahashi, H; Kubo, T; K … 全著者表示

CHEMICAL PHYSICS LETTERS 477 ( 4-6 ) 355 - 359 2009年08月06日

ISSN: 0009-2614

DOI
Decoherence of Intramolecular Vibrational Entanglement in Polyatomic Molecules

Mishima, K; Yamashita, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 109 ( 9 ) 1827 - 1833 2009年08月05日

ISSN: 0020-7608

DOI
Magnetic circular dichroism photoemission electron microscopy using laser and threshold photoemission

Nakagawa, T; Watanabe, K; Matsumoto, Y; Yokoyama, T

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 31 ) 2009年08月05日

ISSN: 0953-8984

DOI
Magnetic interactions in frustrated Mn3Fe4(VO4)6

Guskos, N; Ohta, H; Zolnierkiewicz, G; Okubo, S; Zhang, WM; Typek, J; Rudowicz, C; Szymczak, R; Bos … 全著者表示

JOURNAL OF NON-CRYSTALLINE SOLIDS 355 ( 24-27 ) 1419 - 1426 2009年08月01日

ISSN: 0022-3093

DOI
Spectral and structural studies of a new oxalato-bridged dinuclear copper(II) complex having two 3-(thiophen-2-yl)-1,10-phenanthroline ligands in a trans configuration

Huang, W; Ogawa, T

INORGANICA CHIMICA ACTA 362 ( 10 ) 3877 - 3880 2009年08月01日

ISSN: 0020-1693

DOI
Thermoelectric properties of Ba3Co2O6(CO3)0.7 containing one-dimensional CoO6 octahedral columns

Iwasaki, K; Yamamoto, T; Yamane, H; Takeda, T; Arai, S; Miyazaki, H; Tatsumi, K; Yoshino, M; Ito, T … 全著者表示

JOURNAL OF APPLIED PHYSICS 106 ( 3 ) 2009年08月01日

ISSN: 0021-8979

DOI
5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole)

Ono, K; Tsukamoto, K; Tomura, M

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 65 O1873 - U3103 2009年08月

ISSN: 1600-5368

DOI
Electronic state observation of inner organic thin films beneath electrodes: Fluorescence-yield X-ray absorption spectra of pentacene derivative films

Kato, HS; Hirakawa, R; Yamauchi, F; Minato, T; Kawai, M; Hatsui, T; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 174 ( 1-3 ) 93 - 99 2009年08月

ISSN: 0368-2048

DOI
Impact of interface geometric structure on organic-metal interface energetics and subsequent films electronic structure

Yamane, H; Kanai, K; Ouchi, Y; Ueno, N; Seki, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 174 ( 1-3 ) 28 - 34 2009年08月

ISSN: 0368-2048

DOI
Origin of infrared peaks in the optical conductivity of ytterbium compounds

Kimura, S

PHYSICAL REVIEW B 80 ( 7 ) 2009年08月

ISSN: 1098-0121

DOI
Possible origin of modified EAG activity by point-fluorination of insect pheromones

Hayase, S; Renou, M; Itoh, T

FUTURE MEDICINAL CHEMISTRY 1 ( 5 ) 835 - 845 2009年08月

ISSN: 1756-8919

DOI
Structures and electronic states of Mg incorporated into InN surfaces: First-principles pseudopotential calculations

Akiyama, T; Nakamura, K; Ito, T; Song, JH; Freeman, AJ

PHYSICAL REVIEW B 80 ( 7 ) 2009年08月

ISSN: 2469-9950

DOI
Thiolated Gold Nanowires: Metallic versus Semiconducting

Jiang, DE; Nobusada, K; Luo, WD; Whetten, RL

ACS NANO 3 ( 8 ) 2351 - 2357 2009年08月

ISSN: 1936-0851

DOI
Ultrafast electron and lattice dynamics at potassium-covered Cu(111) surfaces

Watanabe, K; Inoue, K; Nakai, IF; Fuyuki, M; Matsumoto, Y

PHYSICAL REVIEW B 80 ( 7 ) 2009年08月

ISSN: 2469-9950

DOI
Mechanism of N plus NO Reaction on Rh(111) Surfaces: A precursor-Mediated Reaction

Nakai, I; Kondoh, H; Shimada, T; Nagasaka, M; Yokota, R; Katayama, T; Amemiya, K; Orita, H; Ohta, T

JOURNAL OF PHYSICAL CHEMISTRY C 113 ( 30 ) 13257 - 13265 2009年07月30日

ISSN: 1932-7447

DOI
Atom Substitution Effects of [XF6]- in Ionic Liquids. 1. Experimental Study

Shirota, H; Nishikawa, K; Ishida, T

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 29 ) 9831 - 9839 2009年07月23日

ISSN: 1520-6106

DOI
Atom Substitution Effects of [XF6]- in Ionic Liquids. 2. Theoretical Study

Ishida, T; Nishikawa, K; Shirota, H

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 29 ) 9840 - 9851 2009年07月23日

ISSN: 1520-6106

DOI
Theoretical Study of Photophysical Properties of Bisindolylmaleimide Derivatives

Saita, K; Nakazono, M; Zaitsu, K; Nanbu, S; Sekiya, H

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 29 ) 8213 - 8220 2009年07月23日

ISSN: 1089-5639

DOI
Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments

Gao, XF; Wang, L; Ohtsuka, Y; Jiang, DE; Zhao, YL; Nagase, S; Chen, ZF

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 28 ) 9663 - 9669 2009年07月22日

ISSN: 0002-7863

DOI
Density functional theory based first-principle calculation of Nb-doped anatase TiO2 and its interactions with oxygen vacancies and interstitial oxygen

Kamisaka, H; Hitosugi, T; Suenaga, T; Hasegawa, T; Yamashita, K

JOURNAL OF CHEMICAL PHYSICS 131 ( 3 ) 2009年07月21日

ISSN: 0021-9606

DOI
A molecular picture of metal ion solvation: Infrared spectroscopy of Cu+(NH3)n and Ag+(NH3)n in the gas phase

Ohashi, K; Inoue, K; Iino, T; Sasaki, J; Judai, K; Nishi, N; Sekiya, H

JOURNAL OF MOLECULAR LIQUIDS 147 ( 1-2 ) 71 - 76 2009年07月20日

ISSN: 0167-7322

DOI
Simulation study of interactions and reactivities between NADH cytochrome b5 reductase and cytochrome b5

Asada, T; Nagase, S; Nishimoto, K; Koseki, S

JOURNAL OF MOLECULAR LIQUIDS 147 ( 1-2 ) 139 - 144 2009年07月20日

ISSN: 0167-7322

DOI
The effect of microscopic inhomogeneities in acetone/methanol binary liquid mixtures observed through the Raman spectroscopic noncoincidence effect

Musso, M; Giorgini, MG; Torii, H

JOURNAL OF MOLECULAR LIQUIDS 147 ( 1-2 ) 37 - 44 2009年07月20日

ISSN: 0167-7322

DOI
The potential of mean force of water and ions in aquaporin channels investigated by the 3D-RISM method

Phongphanphanee, S; Yoshida, N; Hirata, F

JOURNAL OF MOLECULAR LIQUIDS 147 ( 1-2 ) 107 - 111 2009年07月20日

ISSN: 0167-7322

DOI
Electronic structure of the mixed aluminum and sodium cluster Al2Na

Lin, L; Kita, Y; Udagawa, T; Sakai, S; Nguyen, MT

CHEMICAL PHYSICS LETTERS 476 ( 4-6 ) 236 - 239 2009年07月16日

ISSN: 0009-2614

DOI
Origin of fine structures on the dissociative 1s→σ* resonance in X-ray absorption spectra of O2

Velkov, Y; Kimberg, V; Kosugi, N; Salek, P; Gel'mukhanov, F

CHEMICAL PHYSICS LETTERS 476 ( 4-6 ) 147 - 150 2009年07月16日

ISSN: 0009-2614

DOI
Hydroxyphosphine Ligand for Nickel-Catalyzed Cross-Coupling through Nickel/Magnesium Bimetallic Cooperation

Yoshikai, N; Matsuda, H; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 27 ) 9590 - 9599 2009年07月15日

ISSN: 0002-7863

DOI
Carbonyl sulfide isotopologues: Ultraviolet absorption cross sections and stratospheric photolysis

Danielache, SO; Nanbu, S; Eskebjerg, C; Johnson, MS; Yoshida, N

JOURNAL OF CHEMICAL PHYSICS 131 ( 2 ) 2009年07月14日

ISSN: 0021-9606

DOI
Rotationally resolved ultrahigh-resolution laser spectroscopy of the S2 1A1←S0 1A1 transition of azulene

Semba, Y; Yoshida, K; Kasahara, S; Ni, CK; Hsu, YC; Lin, SH; Ohshima, Y; Baba, M

JOURNAL OF CHEMICAL PHYSICS 131 ( 2 ) 2009年07月14日

ISSN: 0021-9606

DOI
Properties of Photoluminescence from Single Gold Nanorods Induced by Near-Field Two-Photon Excitation

Imura, K; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY C 113 ( 27 ) 11756 - 11759 2009年07月09日

ISSN: 1932-7447

DOI
Solvent Motions and Solvation Processes in a Short-Time Regime: Effects on Excited-State Intramolecular Processes in Solution

Ishida, T

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 27 ) 9255 - 9264 2009年07月09日

ISSN: 1520-6106

DOI
Ultrafast Vibrational Energy Transfer in the Layers of D2O and CO on Pt(111) Studied with Time-Resolved Sum-Frequency-Generation Spectroscopy

Nagao, M; Watanabe, K; Matsumoto, Y

JOURNAL OF PHYSICAL CHEMISTRY C 113 ( 27 ) 11712 - 11719 2009年07月09日

ISSN: 1932-7447

DOI
Anisotropic Magnetic Behavior of Anionic Ce@C82 Carbene Adducts

Takano, Y; Aoyagi, M; Yamada, M; Nikawa, H; Slanina, Z; Mizorogi, N; Ishitsuka, MO; Tsuchiya, T; Ma … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 26 ) 9340 - 9346 2009年07月08日

ISSN: 0002-7863

DOI
Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand

Segawa, Y; Yamashita, M; Nozaki, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 26 ) 9201 - + 2009年07月08日

ISSN: 0002-7863

DOI
Free-time and fixed end-point optimal control theory in dissipative media: Application to entanglement generation and maintenance

Mishima, K; Yamashita, K

JOURNAL OF CHEMICAL PHYSICS 131 ( 1 ) 2009年07月07日

ISSN: 0021-9606

DOI
The origin of the generalized anomeric effect: possibility of CH/n and CH/π hydrogen bonds

Takahashi, O; Yamasaki, K; Kohno, Y; Ueda, K; Suezawa, H; Nishio, M

CARBOHYDRATE RESEARCH 344 ( 10 ) 1225 - 1229 2009年07月06日

ISSN: 0008-6215

DOI
Phase Sensitive Control of Vibronic Guest-Host Interaction: Br2 in Ar Matrix

Ibrahim, H; Héjjas, M; Fushitani, M; Schwentner, N

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 26 ) 7439 - 7450 2009年07月02日

ISSN: 1089-5639

DOI
A synthetic study on gymnastatins F and Q: the tandem Michael and aldol reaction approach

Murayama, K; Tanabe, T; Ishikawa, Y; Nakamura, K; Nishiyama, S

TETRAHEDRON LETTERS 50 ( 26 ) 3191 - 3194 2009年07月01日

ISSN: 0040-4039

DOI
Chirality Emergence in Thin Solid Films of Amino Acids by Polarized Light from Synchrotron Radiation and Free Electron Laser

Takahashi, J; Shinojima, H; Seyama, M; Ueno, Y; Kaneko, T; Kobayashi, K; Mita, H; Adachi, M; Hosaka … 全著者表示

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 10 ( 7 ) 3044 - 3064 2009年07月

ISSN: 1422-0067

DOI
K2Cr8O16 predicted as a half-metallic ferromagnet: Scenario for a metal-insulator transition

Sakamaki, M; Konishi, T; Ohta, Y

PHYSICAL REVIEW B 80 ( 2 ) 2009年07月

ISSN: 1098-0121

DOI
Large Thermoelectric Power of La2-x Sr x CuO4 Possessing Two-Dimensional Electronic Structure

Komoto, H; Takeuchi, T

JOURNAL OF ELECTRONIC MATERIALS 38 ( 7 ) 1365 - 1370 2009年07月

ISSN: 0361-5235

DOI
Magnetic Field versus Temperature Phase Diagram of the Spin-1/2 Alternating-Bond Chain Compound F5PNN

Yoshida, Y; Kawae, T; Hosokoshi, Y; Inoue, K; Maeshima, N; Okunishi, K; Okamoto, K; Sakai, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 7 ) 2009年07月

ISSN: 0031-9015

DOI
Near-field optical imaging of enhanced electric fields and plasmon waves in metal nanostructures

Okamoto, H; Imura, K

PROGRESS IN SURFACE SCIENCE 84 ( 7-8 ) 199 - 229 2009年07月

ISSN: 0079-6816

DOI
Non-native α-helix formation is not necessary for folding of lipocalin: Comparison of burst-phase folding between tear lipocalin and β-lactoglobulin

Tsukamoto, S; Yamashita, T; Yamada, Y; Fujiwara, K; Maki, K; Kuwajima, K; Matsumura, Y; Kihara, H; … 全著者表示

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 76 ( 1 ) 226 - 236 2009年07月

ISSN: 0887-3585

DOI
Photoinduced coherent adsorbate dynamics on a metal surface: Nuclear wave-packet simulation with quasi-diabatic potential energy curves using an open-boundary cluster model approach

Yasuike, T; Nobusada, K

PHYSICAL REVIEW B 80 ( 3 ) 2009年07月

ISSN: 1098-0121

DOI
The unprecedented role of a CuII cryptand in the luminescence properties of a EuIII cryptate complex

Ohtsu, H; Suzuki, T; Ohtsuka, H; Ishii, A; Hasegawa, M

MONATSHEFTE FUR CHEMIE 140 ( 7 ) 783 - 787 2009年07月

ISSN: 0026-9247

DOI
Ultra-thin emissive molecular devices: polarized emission of Ln(III) complex films

Hasegawa, M; Kunisaki, S; Ohtsu, H; Werner, F

MONATSHEFTE FUR CHEMIE 140 ( 7 ) 751 - 763 2009年07月

ISSN: 0026-9247

DOI
Quantum computing using rotational modes of two polar molecules

Mishima, K; Yamashita, K

CHEMICAL PHYSICS 361 ( 1-2 ) 106 - 117 2009年06月30日

ISSN: 0301-0104

DOI
A resonating broken-symmetry CI study of cationic states of phenalenyl dimeric compounds

Nishihara, S; Yamanaka, S; Nakata, K; Kitagawa, Y; Yonezawa, Y; Okumura, M; Nakamura, H; Takada, T; … 全著者表示

POLYHEDRON 28 ( 9-10 ) 1628 - 1633 2009年06月22日

ISSN: 0277-5387

DOI
Ferromagnetic interaction between [Ni(bdt)2]- anions in [Mn2(Saloph)2(μ-OH)][Ni(bdt)2](CH3CN)2

Nishijo, J; Numao, S; Judai, K; Nishi, N

POLYHEDRON 28 ( 9-10 ) 1664 - 1667 2009年06月22日

ISSN: 0277-5387

DOI
Quantum dynamic simulations for single molecular magnets using anisotropic spin models

Kawakami, T; Nitta, H; Takahata, M; Shoji, M; Kitagawa, Y; Nakano, M; Okumura, M; Yamaguchi, K

POLYHEDRON 28 ( 9-10 ) 2092 - 2096 2009年06月22日

ISSN: 0277-5387

DOI
Theoretical calculations of effective exchange integrals by spin projected and unprojected broken-symmetry methods II: Cluster models of Jahn-Teller distorted K2CuF4 solid

Onishi, T; Yamaguchi, K

POLYHEDRON 28 ( 9-10 ) 1972 - 1976 2009年06月22日

ISSN: 0277-5387

DOI
Theoretical calculations of magnetic properties of the α-, β-, γ- and δ-phases of p-NPNN

Okumura, M; Nishimura, Y; Kitagawa, Y; Kawakami, T; Yamaguchi, K

POLYHEDRON 28 ( 9-10 ) 1768 - 1775 2009年06月22日

ISSN: 0277-5387

DOI
Theoretical calculations of the pressure effect for the β-phase of p-NPNN

Okumura, M; Kitagawa, Y; Kawakami, T; Yamaguchi, K

POLYHEDRON 28 ( 9-10 ) 1898 - 1902 2009年06月22日

ISSN: 0277-5387

DOI
Theoretical studies on electronic structures and magnetic interactions of K4[Pt2(pop)4X] • 2H2O (X = Cl, Br) complexes

Kitagawa, Y; Ito, M; Nakanishi, Y; Saito, T; Yamada, S; Kawakami, T; Okumura, M; Yamaguchi, K

POLYHEDRON 28 ( 9-10 ) 1668 - 1671 2009年06月22日

ISSN: 0277-5387

DOI
Theoretical studies on magnetic interactions between Cu(II) ions in hydroxypyridone nucleobases

Nakanishi, Y; Kitagawa, Y; Shigeta, Y; Saito, T; Matsui, T; Miyachi, H; Kawakami, T; Okumura, M; Ya … 全著者表示

POLYHEDRON 28 ( 9-10 ) 1714 - 1717 2009年06月22日

ISSN: 0277-5387

DOI
Theoretical studies on magnetic interactions between Cu(II) ions in salen nucleobases

Nakanishi, Y; Kitagawa, Y; Shigeta, Y; Saito, T; Matsui, T; Miyachi, H; Kawakami, T; Okumura, M; Ya … 全著者表示

POLYHEDRON 28 ( 9-10 ) 1945 - 1949 2009年06月22日

ISSN: 0277-5387

DOI
Theoretical study of magnetic interaction between C60 anion radicals

Kitagawa, Y; Nakanishi, Y; Saito, T; Koizumi, K; Shoji, M; Yamada, S; Kawakami, T; Okumura, M; Yama … 全著者表示

POLYHEDRON 28 ( 9-10 ) 1750 - 1753 2009年06月22日

ISSN: 0277-5387

DOI
Theory of chemical bonds in metalloenzymes XII: Electronic and spin structures of metallo-oxo and isoelectronic species and spin crossover phenomena in oxygenation reactions

Yamaguchi, K; Shoji, M; Isobe, H; Yamanaka, S; Shimada, J; Kitagawa, Y; Okumura, M

POLYHEDRON 28 ( 9-10 ) 2044 - 2052 2009年06月22日

ISSN: 0277-5387

DOI
High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds

Kurashige, Y; Yanai, T

JOURNAL OF CHEMICAL PHYSICS 130 ( 23 ) 2009年06月21日

ISSN: 0021-9606

DOI
Photoabsorption cross section of C70 thin films from visible to vacuum ultraviolet

Yagi, H; Nakajima, K; Koswattage, KR; Nakagawa, K; Katayanagi, H; Mitsuke, K

JOURNAL OF CHEMICAL PHYSICS 130 ( 23 ) 2009年06月21日

ISSN: 0021-9606

DOI
Human OS-9, a Lectin Required for Glycoprotein Endoplasmic Reticulum-associated Degradation, Recognizes Mannose-trimmed N-Glycans

Hosokawa, N; Kamiya, Y; Kamiya, D; Kato, K; Nagata, K

JOURNAL OF BIOLOGICAL CHEMISTRY 284 ( 25 ) 17061 - 17068 2009年06月19日

ISSN: 0021-9258

DOI
Visible Light-Sensitive Cu(II)-Grafted TiO2 Photocatalysts: Activities and X-ray Absorption Fine Structure Analyses

Irie, H; Kamiya, K; Shibanuma, T; Miura, S; Tryk, DA; Yokoyama, T; Hashimoto, K

JOURNAL OF PHYSICAL CHEMISTRY C 113 ( 24 ) 10761 - 10766 2009年06月18日

ISSN: 1932-7447

DOI
Catalytic Reactivity of a Meso-N-Substituted Corrole and Evidence for a High-Valent Iron-Oxo Species

McGown, AJ; Kerber, WD; Fujii, H; Goldberg, DP

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 23 ) 8040 - 8048 2009年06月17日

ISSN: 0002-7863

DOI
Single-Molecule Study on Intermolecular Interaction between C60 and Porphyrin Derivatives: Toward Understanding the Strength of the Multivalency

Zhang, YH; Yu, Y; Jiang, ZH; Xu, HP; Wang, ZQ; Zhang, X; Oda, M; Ishizuka, T; Jiang, DL; Chi, LF; F … 全著者表示

LANGMUIR 25 ( 12 ) 6627 - 6632 2009年06月16日

ISSN: 0743-7463

DOI
Equilibrium and ab initio computational studies on the adduct formation of 1,3-diketonato-lithium(I), -sodium(I) and -potassium(I) with 1, 10-phenanthroline and its 2,9-dimethyl derivatives

Ishimori, KI; Mori, S; Ito, Y; Ohashi, K; Imura, H

TALANTA 78 ( 4-5 ) 1272 - 1279 2009年06月15日

ISSN: 0039-9140

DOI
Bioimaging with Two-Photon-Induced Luminescence from Triangular Nanoplates and Nanoparticle Aggregates of Gold

Jiang, YQ; Horimoto, NN; Imura, K; Okamoto, H; Matsui, K; Shigemoto, R

ADVANCED MATERIALS 21 ( 22 ) 2309 - + 2009年06月12日

ISSN: 0935-9648

DOI
Structural reorganization of molecular sheets derived from cellulose II by molecular dynamics simulations

Miyamoto, H; Umemura, M; Aoyagi, T; Yamane, C; Ueda, K; Takahashi, K

CARBOHYDRATE RESEARCH 344 ( 9 ) 1085 - 1094 2009年06月12日

ISSN: 0008-6215

DOI
Direct Observation of Momentum-Dependent Exchange Interaction in a Heisenberg Ferromagnet

Miyazaki, H; Ito, T; Im, HJ; Yagi, S; Kato, M; Soda, K; Kimura, S

PHYSICAL REVIEW LETTERS 102 ( 22 ) 2009年06月05日

ISSN: 0031-9007

DOI
Extension of Frozen-orbital Analysis to the Tamm-Dancoff Approximation to Time-dependent Density Functional Theory

Imamura, Y; Baba, T; Nakai, H

CHEMISTRY LETTERS 38 ( 6 ) 528 - 529 2009年06月05日

ISSN: 0366-7022

DOI
Preparation of Long Conjugated Porphyrin Polymers with Gold Nanoparticles at Both Ends as Electronic and/or Photonic Molecular Wires

Ozawa, H; Kawao, M; Tanaka, H; Ogawa, T

CHEMISTRY LETTERS 38 ( 6 ) 542 - 543 2009年06月05日

ISSN: 0366-7022

DOI
Preparation, Crystal Structure, and Solid-state Fluorescence of a CH2Cl2-solvated Crystal of 6,13-Bis(t-butylphenyl)-2,3,9,10-tetrapropoxypentacene

Kitamura, C; Naito, T; Yoneda, A; Kobayashi, T; Naito, H; Komatsu, T

CHEMISTRY LETTERS 38 ( 6 ) 600 - 601 2009年06月05日

ISSN: 0366-7022

DOI
Synthesis of sialoglycopolypeptide for potentially blocking influenza virus infection using a rat α2,6-sialyltransferase expressed in BmNPV bacmid-injected silkworm larvae

Ogata, M; Nakajima, M; Kato, T; Obara, T; Yagi, H; Kato, K; Usui, T; Park, EY

BMC BIOTECHNOLOGY 9 2009年06月05日

ISSN: 1472-6750

DOI
Noncovalently Netted, Photoconductive Sheets with Extremely High Carrier Mobility and Conduction Anisotropy from Triphenylene-Fused Metal Trigon Conjugates

Chen, L; Kim, J; Ishizuka, T; Honsho, Y; Saeki, A; Seki, S; Ihee, H; Jiang, DL

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 21 ) 7287 - 7292 2009年06月03日

ISSN: 0002-7863

DOI
Homo- and Heterobismetal Complexes of 5-Hydroxy-10,15,25,30-tetrakis(pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)

Koide, T; Kashiwazaki, G; Furukawa, K; Osuka, A

INORGANIC CHEMISTRY 48 ( 11 ) 4595 - 4597 2009年06月01日

ISSN: 0020-1669

DOI
Ni(II)/H2O2 Reactivity in Bis[(pyridin-2-yl)methyl]amine Tridentate Ligand System. Aromatic Hydroxylation Reaction by Bis(μ-oxo)dinickel(III) Complex

Kunishita, A; Doi, Y; Kubo, M; Ogura, T; Sugimoto, H; Itoh, S

INORGANIC CHEMISTRY 48 ( 11 ) 4997 - 5004 2009年06月01日

ISSN: 0020-1669

DOI
Proton transfer in water-hydroxyl mixed overlayers on Pt(111): Combined approach of laser desorption and spatially-resolved X-ray photoelectron spectroscopy

Nagasaka, M; Kondoh, H; Amemiya, K; Ohta, T; Iwasawa, Y

SURFACE SCIENCE 603 ( 10-12 ) 1690 - 1695 2009年06月01日

ISSN: 0039-6028

DOI
A Multicore QM/MM Approach for the Geometry Optimization of Chromophore Aggregate in Protein

Kiyota, Y; Hasegawa, JY; Fujimoto, K; Swerts, B; Nakatsuji, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 30 ( 8 ) 1351 - 1359 2009年06月

ISSN: 0192-8651

DOI
Active Center Induced by Vibronic Interactions in V2O5/SiO2

Sato, T; Iwahara, N; Tokunaga, K; Tanaka, K; Tanaka, T

TOPICS IN CATALYSIS 52 ( 6-7 ) 808 - 812 2009年06月

ISSN: 1022-5528

DOI
Electronic structure calculations for a carbon nanotube capacitor with a dielectric medium

Uchida, K; Oshiyama, A

PHYSICAL REVIEW B 79 ( 23 ) 2009年06月

ISSN: 2469-9950

DOI
Molecular Thermodynamics of Trifluoroethanol-Induced Helix Formation: Analysis of the Solvation Structure and Free Energy by the 3D-RISM Theory

Imai, T; Kovalenko, A; Hirata, F; Kidera, A

INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES 1 ( 2 ) 156 - 160 2009年06月

ISSN: 1913-2751

DOI
Multiple time scales hidden in heterogeneous dynamics of glass-forming liquids

Kim, K; Saito, S

PHYSICAL REVIEW E 79 ( 6 ) 2009年06月

ISSN: 1539-3755

DOI
Photoelectron spectra of F3SiC2H4Si(CH3)3 molecule using monochromatized synchrotron radiation

Suzuki, IH; Nitta, A; Shimizu, A; Tamenori, Y; Fukuzawa, H; Ueda, K; Nagaoka, S

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 173 ( 1 ) 18 - 23 2009年06月

ISSN: 0368-2048

DOI
Synthesis, Crystal Structures, and Properties of Molecular Squares Displaying Hydrogen and π-π Bonded Networks

Kumagai, H; Akita-Tanaka, M; Kawata, S; Inoue, K; Kepert, CJ; Kurmoo, M

CRYSTAL GROWTH & DESIGN 9 ( 6 ) 2734 - 2741 2009年06月

ISSN: 1528-7483

DOI
The Role of Bridging Group of Cyclopentadienyl Ligands for the Ziegler-Natta Catalysis: Theoretical Study

Sakai, S; Kojima, Y

TOPICS IN CATALYSIS 52 ( 6-7 ) 772 - 778 2009年06月

ISSN: 1022-5528

DOI
Theoretical investigation of the interaction between oxygen molecules and small Au clusters using approximately spin-projected geometry optimization (AP-opt) method

Okumura, M; Kitagawa, Y; Yabushita, H; Saito, T; Kawakami, T

CATALYSIS TODAY 143 ( 3-4 ) 282 - 285 2009年05月30日

ISSN: 0920-5861

DOI
Effect of Electronic Structures of Au Clusters Stabilized by Poly(N-vinyl-2-pyrrolidone) on Aerobic Oxidation Catalysis

Tsunoyama, H; Ichikuni, N; Sakurai, H; Tsukuda, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 20 ) 7086 - 7093 2009年05月27日

ISSN: 0002-7863

DOI
High-Pressure (up to 10.7 GPa) Crystal Structure of Single-Component Molecular Metal [Au(tmdt)2]

Okano, Y; Zhou, B; Tanaka, H; Adachi, T; Ohishi, Y; Takata, M; Aoyagi, S; Nishibori, E; Sakata, M; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 20 ) 7169 - 7174 2009年05月27日

ISSN: 0002-7863

DOI
Infrared photodissociation spectroscopy of V+(H2O)n (n=2-8): Coordinative saturation of V+ with four H2O molecules

Sasaki, J; Ohashi, K; Inoue, K; Imamura, T; Judai, K; Nishi, N; Sekiya, H

CHEMICAL PHYSICS LETTERS 474 ( 1-3 ) 36 - 40 2009年05月25日

ISSN: 0009-2614

DOI
Strain Relief Guided Growth of Atomic Nanowires in a Cu3N-Cu(110) Molecular Network

Ma, XD; Bazhanov, DI; Fruchart, O; Yildiz, F; Yokoyama, T; Przybylski, M; Stepanyuk, VS; Hergert, W … 全著者表示

PHYSICAL REVIEW LETTERS 102 ( 20 ) 2009年05月22日

ISSN: 0031-9007

DOI
High-resolution spectroscopy of weak and short-lived bands of the S1 1B3u←S0 1Ag transition of naphthalene

Yoshida, K; Semba, Y; Kasahara, S; Yamanaka, T; Baba, M

JOURNAL OF CHEMICAL PHYSICS 130 ( 19 ) 2009年05月21日

ISSN: 0021-9606

DOI
Structural, electronic, and vibrational properties of high-density amorphous silicon: A first-principles molecular-dynamics study

Morishita, T

JOURNAL OF CHEMICAL PHYSICS 130 ( 19 ) 2009年05月21日

ISSN: 0021-9606

DOI
Tunability enhancement of a terahertz-wave parametric generator pumped by a microchip Nd:YAG laser

Hayashi, S; Shibuya, T; Sakai, H; Taira, T; Otani, C; Ogawa, Y; Kawase, K

APPLIED OPTICS 48 ( 15 ) 2899 - 2902 2009年05月20日

ISSN: 1559-128X

DOI
Characterization of Redox States of Ru(OH2)(Q)(tpy)2+ (Q=3,5-di-tert-butyl-1,2-benzoquinone, tpy=2,2′:6′,2"-terpyridine) and Related Species through Experimental and Theoretical Studies

Tsai, MK; Rochford, J; Polyansky, DE; Wada, T; Tanaka, K; Fujita, E; Muckerman, JT

INORGANIC CHEMISTRY 48 ( 10 ) 4372 - 4383 2009年05月18日

ISSN: 0020-1669

DOI
Electrical Properties of New Organic Conductor (BEST)2InBr4 [BEST = Bis(ethylenediseleno)tetrathiafulvalene] up to 10.8 GPa and Antiferromagnetic Transition of (BEST)2FeBr4

Cui, HB; Brooks, J; Graf, D; Okano, Y; Sun, HL; Kobayashi, H

INORGANIC CHEMISTRY 48 ( 10 ) 4268 - 4270 2009年05月18日

ISSN: 0020-1669

DOI
Theoretical study of noncovalent interactions between triple bonds and chlorine atoms in complexes of acetylene and some chloromethanes

Tomura, M

CHEMICAL PHYSICS 359 ( 1-3 ) 126 - 131 2009年05月18日

ISSN: 0301-0104

DOI
Computational Study of Excited-State Intramolecular-Proton-Transfer of o-Hydroxybenzaldehyde and Its Derivatives

Nagaoka, S; Teramae, H; Nagashima, U

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 5 ) 570 - 573 2009年05月15日

ISSN: 0009-2673

DOI
UV-visible, 1H and 13C NMR spectroscopic studies on the interaction between protons or alkaline earth metal ions and the benzoate ion in acetonitrile

Hojo, M; Ueda, T; Ike, M; Kobayashi, M; Nakai, H

JOURNAL OF MOLECULAR LIQUIDS 145 ( 3 ) 152 - 157 2009年05月15日

ISSN: 0167-7322

DOI
Significant Change in Electronic Structures of Heme Upon Reduction by Strong Coulomb Repulsion between Fe d Electrons

Kamiya, K; Yamamoto, S; Shiraishi, K; Oshiyama, A

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 19 ) 6866 - 6872 2009年05月14日

ISSN: 1520-6106

DOI
Methane in an Open-Cage [60]Fullerene

Whitener, KE; Cross, RJ; Saunders, M; Iwamatsu, S; Murata, S; Mizorogi, N; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 18 ) 6338 - + 2009年05月13日

ISSN: 0002-7863

DOI
Charge-Polarized Coordination Space for H2 Adsorption

Hasegawa, JY; Higuchi, M; Hijikata, Y; Kitagawa, S

CHEMISTRY OF MATERIALS 21 ( 9 ) 1829 - 1833 2009年05月12日

ISSN: 0897-4756

DOI
Reactivity of the Disilyne RSiSiR (R = SiiPr[CH(SiMe3)2]2) toward Nitriles: Unexpected Formation of Triaza-1,4-disilabicyclo[2.2.2]octa-2,5,7-triene Derivatives

Takeuchi, K; Ichinohe, M; Sekiguchi, A; Guo, JD; Nagase, S

ORGANOMETALLICS 28 ( 9 ) 2658 - 2660 2009年05月11日

ISSN: 0276-7333

DOI
Efficient Dye-Sensitized Solar Cell Based on oxo-Bacteriochlorin Sensitizers with Broadband Absorption Capability

Wang, XF; Kitao, O; Zhou, HS; Tamiaki, H; Sasaki, S

JOURNAL OF PHYSICAL CHEMISTRY C 113 ( 18 ) 7954 - 7961 2009年05月07日

ISSN: 1932-7447

DOI
Theoretical Study on Exciton Recurrence Motion in Anthracene Dimer Using the Ab Initio MO-CI Based Quantum Master Equation Approach

Kishi, R; Nakano, M; Minami, T; Fukui, H; Nagai, H; Yoneda, K; Takahashi, H

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 18 ) 5455 - 5462 2009年05月07日

ISSN: 1089-5639

DOI
Fermi surface nesting induced strong pairing in iron-based superconductors

Terashima, K; Sekiba, Y; Bowen, JH; Nakayama, K; Kawahara, T; Sato, T; Richard, P; Xu, YM; Li, LJ; … 全著者表示

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 106 ( 18 ) 7330 - 7333 2009年05月05日

ISSN: 0027-8424

DOI
An ab initio-based approach to the stability of GaN(0001) surfaces under Ga-rich conditions

Ito, T; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 311 ( 10 ) 3093 - 3096 2009年05月01日

ISSN: 0022-0248

DOI
DFT Study on Bifunctional Chiral Bronsted Acid-Catalyzed Asymmetric Hydrophosphonylation of Imines

Yamanaka, M; Hirata, T

JOURNAL OF ORGANIC CHEMISTRY 74 ( 9 ) 3266 - 3271 2009年05月01日

ISSN: 0022-3263

DOI
First principles studies on In-related nitride semiconductors

Obata, T; Iwata, J; Shiraishi, K; Oshiyama, A

JOURNAL OF CRYSTAL GROWTH 311 ( 10 ) 2772 - 2775 2009年05月01日

ISSN: 0022-0248

DOI
5-(1,3-Dithiolo[4,5-d][1,3]dithiol-2-ylidene)1,3-dithiolo[4,5-c][1,2,5] thiadiazole: an unsymmetrical tetrathiafulvalene with fused 1,2,5-thiadiazole and 1,3-dithiole rings

Tomura, M; Yamashita, Y

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 65 O1082 - U2574 2009年05月

ISSN: 1600-5368

DOI
5-Isopropylidene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione

Tomura, M; Yamashita, Y

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 65 O1050 - U2280 2009年05月

ISSN: 2056-9890

DOI
Analysis of N-glycans in embryonated chicken egg chorioallantoic and amniotic cells responsible for binding and adaptation of human and avian influenza viruses

Sriwilaijaroen, N; Kondo, S; Yagi, H; Wilairat, P; Hiramatsu, H; Ito, M; Ito, Y; Kato, K; Suzuki, Y

GLYCOCONJUGATE JOURNAL 26 ( 4 ) 433 - 443 2009年05月

ISSN: 0282-0080

DOI
Cell separation by the combination of microfluidics and optical trapping force on a microchip

Murata, M; Okamoto, Y; Park, YS; Kaji, N; Tokeshi, M; Baba, Y

ANALYTICAL AND BIOANALYTICAL CHEMISTRY 394 ( 1 ) 277 - 283 2009年05月

ISSN: 1618-2642

DOI
Crystalline electric field effects in Ce 3d core-level spectra of heavy-fermion systems: Hard x-ray photoemission spectroscopy on CeNi1-xCoxGe2

Im, HJ; Ito, T; Kimura, S; Kim, HD; Hong, JB; Kwon, YS

PHYSICAL REVIEW B 79 ( 19 ) 2009年05月

ISSN: 2469-9950

DOI
Enantioselective Copper-Catalyzed Allylic Substitution Reaction with Aminohydroxyphosphine Ligand

Yoshikai, N; Miura, K; Nakamura, E

ADVANCED SYNTHESIS & CATALYSIS 351 ( 7-8 ) 1014 - 1018 2009年05月

ISSN: 1615-4150

DOI
Nonequilibrium Green's-Function Approach to the Suppression of Rectification at Metal-Mott-Insulator Interfaces

Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 5 ) 2009年05月

ISSN: 0031-9015

DOI
Reduced Catalytic Activity of P450 2A6 Mutants with Coumarin: A Computational Investigation

Li, WH; Ode, H; Hoshino, T; Liu, H; Tang, Y; Jiang, HL

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 5 ( 5 ) 1411 - 1420 2009年05月

ISSN: 1549-9618

DOI
Single Crystal Growth and Magnetic, Optical, and Photoelectrical Properties of EuO Thin Film

Miyazaki, H; Ito, T; Im, H; Terashima, K; Yagi, S; Kato, M; Soda, K; Kimura, S

JAPANESE JOURNAL OF APPLIED PHYSICS 48 ( 5 ) 2009年05月

ISSN: 0021-4922

DOI
Synthesis and Characterization of Silicon-Doped Hydroxyapatite

Nakata, K; Kubo, T; Numako, C; Onoki, T; Nakahira, A

MATERIALS TRANSACTIONS 50 ( 5 ) 1046 - 1049 2009年05月

ISSN: 1345-9678

DOI
Two-photon photoemission magnetic circular dichroism and its energy dependence

Nakagawa, T; Yamamoto, I; Takagi, Y; Watanabe, K; Matsumoto, Y; Yokoyama, T

PHYSICAL REVIEW B 79 ( 17 ) 2009年05月

ISSN: 2469-9950

DOI
Hybrid-DFT Study on Electronic Structures of the Active Site of Sweet Potato Purple Acid Phosphatase: The Origin of Stronger Antiferromagnetic Couplings than Other Purple Acid Phosphatases

Koizumi, K; Yamaguchi, K; Nakamura, H; Takano, Y

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 17 ) 5099 - 5104 2009年04月30日

ISSN: 1089-5639

DOI
Oxidative cyclization of alkenols with Oxone using a miniflow reactor

Yamada, YMA; Torii, K; Uozumi, Y

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 5 2009年04月29日

ISSN: 1860-5397

DOI
The conformation of levopimaric acid investigated by high-level ab initio MO calculations. Possibility of the CH/π hydrogen bond

Takahashi, O; Yamasaki, K; Kohno, Y; Ueda, K; Suezawa, H; Nishio, M

TETRAHEDRON 65 ( 17 ) 3525 - 3528 2009年04月25日

ISSN: 0040-4020

DOI
Nonadiabatic ab Initio Dynamics of Two Models of Schiff Base Retinal

Ishida, T; Nanbu, S; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 16 ) 4356 - 4366 2009年04月23日

ISSN: 1089-5639

DOI
Calculations suggest facile hydrogen release from water using boranes and alanes as catalysts

Swinnen, S; Nguyen, VS; Sakai, S; Nguyen, MT

CHEMICAL PHYSICS LETTERS 472 ( 4-6 ) 175 - 180 2009年04月20日

ISSN: 0009-2614

DOI
Dichlorocarbene Addition to C60 from the Trichloromethyl Anion: Carbene Mechanism or Bingel Mechanism?

Gao, XF; Ishimura, K; Nagase, S; Chen, ZF

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 15 ) 3673 - 3676 2009年04月16日

ISSN: 1089-5639

DOI
Simultaneous Separation, Metering, and Dilution of Plasma from Human Whole Blood in a Microfluidic System

Tachi, T; Kaji, N; Tokeshi, M; Baba, Y

ANALYTICAL CHEMISTRY 81 ( 8 ) 3194 - 3198 2009年04月15日

ISSN: 0003-2700

DOI
Tuning of Electronic Properties of Single-Walled Carbon Nanotubes under Homogenous Conditions

Maeda, Y; Sagara, A; Hashimoto, M; Hirashima, Y; Sode, K; Hasegawa, T; Kanda, M; Ishitsuka, MO; Tsu … 全著者表示

CHEMPHYSCHEM 10 ( 6 ) 926 - 930 2009年04月14日

ISSN: 1439-4235

DOI
Quantum mechanical study of atomic hydrogen interaction with a fluorinated boron-substituted coronene radical

Zhang, H; Smith, SC; Nanbu, S; Nakamura, H

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 14 ) 2009年04月08日

ISSN: 0953-8984

DOI
Shifted Feedback Suppression of Turbulent Behavior in Advection-Diffusion Systems

Evain, C; Szwaj, C; Bielawski, S; Hosaka, M; Mochihashi, A; Katoh, M; Couprie, ME

PHYSICAL REVIEW LETTERS 102 ( 13 ) 2009年04月03日

ISSN: 0031-9007

DOI
Bulk and surface structure investigation for the positive electrodes of degraded lithium-ion cell after storage test using X-ray absorption near-edge structure measurement

Mori, D; Kobayashi, H; Shikano, M; Nitani, H; Kageyama, H; Koike, S; Sakaebe, H; Tatsumi, K

JOURNAL OF POWER SOURCES 189 ( 1 ) 676 - 680 2009年04月01日

ISSN: 0378-7753

DOI
Velocity Gap Theory Developed for Magnifying Resolutions without Changing Separation Mechanisms or Separation Lengths

Zhang, Y; Wang, J; Okamoto, Y; Tokeshi, M; Kaji, N; Baba, Y

ANALYTICAL CHEMISTRY 81 ( 7 ) 2745 - 2750 2009年04月01日

ISSN: 0003-2700

DOI
Charge Order-Disorder Phase Transition in α′-[Bis(ethylenedithio)tetrathiafulvalene]2IBr2 [α′-(BEDT-TTF)2IBr2]

Yue, Y; Nakano, C; Yamamoto, K; Uruichi, M; Wojciechowski, R; Inokuchi, M; Yakushi, K; Kawamoto, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 4 ) 2009年04月

ISSN: 0031-9015

DOI
Photoabsorption cross section of C60 thin films from the visible to vacuum ultraviolet

Yagi, H; Nakajima, K; Koswattage, KR; Nakagawa, K; Huang, C; Prodhan, MSI; Kafle, BP; Katayanagi, H … 全著者表示

CARBON 47 ( 4 ) 1152 - 1157 2009年04月

ISSN: 0008-6223

DOI
Role of the Au/GaAs(111) interface on the wurtzite-structure formation during GaAs nanowire growth by a vapor-liquid-solid mechanism

Akiyama, T; Haneda, Y; Nakamura, K; Ito, T

PHYSICAL REVIEW B 79 ( 15 ) 2009年04月

ISSN: 2469-9950

DOI
Spectral, Structural, and Computational Studies of a New Family of Ruthenium(II) Complexes Containing Substituted 1,10-Phenanthroline Ligands and in situ Electropolymerization of a Phenanthrolineruthenium(II) Complex Bridging Nanogap Gold Electrodes

Huang, W; Wang, L; Tanaka, H; Ogawa, T

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 10 ) 1321 - 1330 2009年04月

ISSN: 1434-1948

DOI
Preparation and conformational analysis of C-glycosyl β2- and β/β2-peptides

Inaba, Y; Kawakami, T; Aimoto, S; Ikegami, T; Takeuchi, T; Nakazawa, T; Yano, S; Mikata, Y

CARBOHYDRATE RESEARCH 344 ( 5 ) 613 - 626 2009年03月31日

ISSN: 0008-6215

DOI
Polyamorphism in tin tetraiodide

Fuchizaki, K; Hase, T; Yamada, A; Hamaya, N; Katayama, Y; Funakoshi, K

JOURNAL OF CHEMICAL PHYSICS 130 ( 12 ) 2009年03月28日

ISSN: 0021-9606

DOI
Quadratic canonical transformation theory and higher order density matrices

Neuscamman, E; Yanai, T; Chan, GKL

JOURNAL OF CHEMICAL PHYSICS 130 ( 12 ) 2009年03月28日

ISSN: 0021-9606

DOI
Mechanistic Study of the Manganese-Catalyzed [2+2+2] Annulation of 1,3-Dicarbonyl Compounds and Terminal Alkynes

Yoshikai, N; Zhang, SL; Yamagata, K; Tsuji, H; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 11 ) 4099 - 4109 2009年03月25日

ISSN: 0002-7863

DOI
Theoretical Study of CO Escaping Pathway in Myoglobin with the 3D-RISM Theory

Kiyota, Y; Hiraoka, R; Yoshida, N; Maruyama, Y; Imai, T; Hirata, F

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 11 ) 3852 - + 2009年03月25日

ISSN: 0002-7863

DOI
Theoretical studies of angle-resolved ion yield spectra of core-to-valence transitions of acetylene

Kimberg, V; Kosugi, N; Gel'mukhanov, F

JOURNAL OF CHEMICAL PHYSICS 130 ( 11 ) 2009年03月21日

ISSN: 0021-9606

DOI
CH3 Internal Rotation in the S0 and S1 States of 9-Methylanthracene

Baba, M; Mori, K; Saito, M; Kowaka, Y; Noma, Y; Kasahara, S; Yamanaka, T; Okuyama, K; Ishimoto, T; … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 11 ) 2366 - 2371 2009年03月19日

ISSN: 1089-5639

DOI
Molecular Dynamics Studies of the Structural Change in 1,3-Diamino-2,4,6-trinitrobenzene (DATB) in the Crystalline State under High Pressure

Kohno, Y; Hiyoshi, RI; Yamaguchi, Y; Matsumoto, S; Koseki, A; Takahashi, O; Yamasaki, K; Ueda, K

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 11 ) 2551 - 2560 2009年03月19日

ISSN: 1089-5639

DOI
Multiple Explosion Pathways of the Deuterated Benzene Trication in 9-fs Intense Laser Fields

Matsuda, A; Fushitani, M; Thomas, RA; Zhaunerchyk, V; Hishikawa, A

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 11 ) 2254 - 2260 2009年03月19日

ISSN: 1089-5639

DOI
Theoretical Study on the Mechanism and Diastereoselectivity of NaBH4 Reduction

Suzuki, Y; Kaneno, D; Tomoda, S

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 11 ) 2578 - 2583 2009年03月19日

ISSN: 1089-5639

DOI
Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation

Matsukawa, S; Yamamichi, H; Yamamoto, Y; Ando, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 10 ) 3418 - + 2009年03月18日

ISSN: 0002-7863

DOI
Effect of Imidazole and Phenolate Axial Ligands on the Electronic Structure and Reactivity of Oxoiron(IV) Porphyrin π-Cation Radical Complexes: Drastic Increase in Oxo-Transfer and Hydrogen Abstraction Reactivities

Takahashi, A; Kurahashi, T; Fujii, H

INORGANIC CHEMISTRY 48 ( 6 ) 2614 - 2625 2009年03月16日

ISSN: 0020-1669

DOI
ONIOM Study of the Mechanism of the Enzymatic Hydrolysis of Biodegradable Plastics

Sakae, Y; Matsubara, T; Aida, M; Kondo, H; Masaki, K; Iefuji, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 3 ) 338 - 346 2009年03月15日

ISSN: 0009-2673

DOI
Structures and Magnetic Properties of Dinuclear Copper(II) Complexes Containing a Bulky Diamine Ligand, 1,2-Dipiperidinoethane

Arakawa-Itoh, M; Tokuman, K; Mori, Y; Kajiwara, T; Yamashita, M; Fukuda, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 3 ) 358 - 363 2009年03月15日

ISSN: 0009-2673

DOI
Actively Tailored Spatiotemporal Images of Quantum Interference on the Picometer and Femtosecond Scales

Katsuki, H; Chiba, H; Meier, C; Girard, B; Ohmori, K

PHYSICAL REVIEW LETTERS 102 ( 10 ) 2009年03月13日

ISSN: 0031-9007

DOI
Derivatives of 5-Nitro-furan-2-carboxylic Acid Carbamoylmethyl Ester Inhibit RNase H Activity Associated with HIV-1 Reverse Transcriptase

Fuji, H; Urano, E; Futahashi, Y; Hamatake, M; Tatsumi, J; Hoshino, T; Morikawa, Y; Yamamoto, N; Kom … 全著者表示

JOURNAL OF MEDICINAL CHEMISTRY 52 ( 5 ) 1380 - 1387 2009年03月12日

ISSN: 0022-2623

DOI
Local environment analysis of dopants in ceramics by x-ray absorption near-edge structure with the aid of first-principles calculations

Yamamoto, T; Kawashima, Y; Kusakabe, Y; Matsuda, S; Mizuoka, Y; Nakade, Y; Okajima, T

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 10 ) 2009年03月11日

ISSN: 0953-8984

DOI
A 13C-detection NMR approach for large glycoproteins

Yamaguchi, Y; Wälchli, M; Nagano, M; Kato, K

CARBOHYDRATE RESEARCH 344 ( 4 ) 535 - 538 2009年03月10日

ISSN: 0008-6215

DOI
A kinetic study on the low temperature oxidation of CO over Ag-contaminated Au fine powder

Iizuka, Y; Miyamae, T; Miura, T; Okumura, M; Daté, M; Haruta, M

JOURNAL OF CATALYSIS 262 ( 2 ) 280 - 286 2009年03月10日

ISSN: 0021-9517

DOI
A new quantum control scheme for multilevel systems based on effective decomposition by intense laser fields

Sugawara, M

JOURNAL OF CHEMICAL PHYSICS 130 ( 9 ) 2009年03月07日

ISSN: 0021-9606

DOI
Solvation Dynamics in Polar Solvents Studied by Means of RISM/Mode-Coupling Theory

Nishiyama, K; Yamaguchi, T; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 9 ) 2800 - 2804 2009年03月05日

ISSN: 1520-6106

DOI
X-ray absorption spectroscopy and magnetic circular dichroism in codeposited C60-Co films with giant tunnel magnetoresistance

Matsumoto, Y; Sakai, S; Takagi, Y; Nakagawa, T; Yokoyama, T; Shimada, T; Mitani, S; Naramoto, H; Ma … 全著者表示

CHEMICAL PHYSICS LETTERS 470 ( 4-6 ) 244 - 248 2009年03月05日

ISSN: 0009-2614

DOI
Mononuclear Copper(II)-Superoxo Complexes that Mimic the Structure and Reactivity of the Active Centers of PHM and DβM

Kunishita, A; Kubo, M; Sugimoto, H; Ogura, T; Sato, K; Takui, T; Itoh, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 8 ) 2788 - + 2009年03月04日

ISSN: 0002-7863

DOI
Coupling-dependent rate of energy transfer from photoexcited Mott insulators to lattice vibrations

Yonemitsu, K; Maeshima, N

PHYSICAL REVIEW B 79 ( 12 ) 2009年03月

ISSN: 2469-9950

DOI
Effects of rare-earth doping on thermal conductivity in Y3Al5O12 crystals

Sato, Y; Akiyama, J; Taira, T

OPTICAL MATERIALS 31 ( 5 ) 720 - 724 2009年03月

ISSN: 0925-3467

DOI
High resolution X-ray photoelectron spectroscopy on nitrogen molecules

Ueda, K; Püttner, R; Cherepkov, NA; Gel'mukhanov, F; Ehara, M

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 169 95 - 107 2009年03月

ISSN: 1951-6355

DOI
Multidimensional HPLC mapping method for the structural analysis of anionic N-glycans

Yagi, H; Kato, K

TRENDS IN GLYCOSCIENCE AND GLYCOTECHNOLOGY 21 ( 118 ) 95 - 104 2009年03月

ISSN: 0915-7352

DOI
Multiple photoionization of atoms and small molecules by synchrotron radiation

Penent, F; Lablanquie, P; Palaudoux, J; Gamblin, G; Andric, L; Ito, K; Hikosaka, Y; Kaneyasu, T; El … 全著者表示

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 169 73 - 78 2009年03月

ISSN: 1951-6355

DOI
Electronic structure of heavily electron-doped BaFe1.7Co0.3As2 studied by angle-resolved photoemission

Sekiba, Y; Sato, T; Nakayama, K; Terashima, K; Richard, P; Bowen, JH; Ding, H; Xu, YM; Li, LJ; Cao, … 全著者表示

NEW JOURNAL OF PHYSICS 11 2009年02月27日

ISSN: 1367-2630

DOI
Classification of OH Bonds and Infrared Spectra of the Topology-Distinct Protonated Water Clusters H3O+(H2O)n-1 (n ≤ 7)

Jieli, M; Aida, M

JOURNAL OF PHYSICAL CHEMISTRY A 113 ( 8 ) 1586 - 1594 2009年02月26日

ISSN: 1089-5639

DOI
Quantum Master Equation Approach to Exciton Recurrence Motion in Ring-Shaped Aggregate Complexes Induced by Linear- and Circular-Polarized Laser Fields

Minami, T; Fukui, H; Nagai, H; Yoneda, K; Kishi, R; Takahashi, H; Nakano, M

JOURNAL OF PHYSICAL CHEMISTRY C 113 ( 8 ) 3332 - 3338 2009年02月26日

ISSN: 1932-7447

DOI
Investigation of crystal structure formation under microwave heating

Takayama, S; Kakurai, K; Takeda, M; Matsubara, A; Nishihara, Y; Nishijo, J; Sano, S; Nishi, N; Sato … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 600 ( 1 ) 246 - 249 2009年02月21日

ISSN: 0168-9002

DOI
SANS simulation of aggregated protein in aqueous solution

Sugiyama, M; Hamada, K; Kato, K; Kurimoto, E; Okamoto, K; Morimoto, Y; Ikeda, S; Naito, S; Furusaka … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 600 ( 1 ) 272 - 274 2009年02月21日

ISSN: 0168-9002

DOI
The Effect of Alkynyl Groups on Torquoselectivity. Highly Stereoselective Olefination of Alkynyl Ketones with Ynolates

Yoshikawa, T; Mori, S; Shindo, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 6 ) 2092 - + 2009年02月18日

ISSN: 0002-7863

DOI
Relativistic effects in K-shell ionizations: SAC-CI general-R study based on the DK2 Hamiltonian

Ehara, M; Kuramoto, K; Nakatsuji, H

CHEMICAL PHYSICS 356 ( 1-3 ) 195 - 198 2009年02月17日

ISSN: 0301-0104

DOI
Construction of Supramolecular Systems Based on Endohedral Metallofullerenes

Tsuchiya, T; Akasaka, T; Nagase, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 2 ) 171 - 181 2009年02月15日

ISSN: 0009-2673

DOI
DFT studies on redox properties of copper-chelating cuprizone: Unusually high-valent copper(III) state

Yamamoto, N; Kuwata, K

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 895 ( 1-3 ) 52 - 56 2009年02月15日

ISSN: 0166-1280

DOI
Density Functional Study on Core Ionization Spectra of Cytidine and Its Fragments

Thompson, A; Saha, S; Wang, F; Tsuchimochi, T; Nakata, A; Imamura, Y; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 2 ) 187 - 195 2009年02月15日

ISSN: 0009-2673

DOI
Possible reaction pathway in methanol dehydrogenation on Pt and Ag surfaces/clusters starting from O-H scission: Dipped adcluster model study

Watanabe, T; Ehara, M; Kurarnoto, K; Nakatsuji, H

SURFACE SCIENCE 603 ( 4 ) 641 - 646 2009年02月15日

ISSN: 0039-6028

DOI
The Origin of the Relative Stability of Axial Conformers of Cyclohexane and Cyclohexanone Derivatives: Importance of the CH/n and CH/π Hydrogen Bonds

Takahashi, O; Yamasaki, K; Kohno, Y; Ueda, K; Suezawa, H; Nishio, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 82 ( 2 ) 272 - 276 2009年02月15日

ISSN: 0009-2673

DOI
A resonating broken symmetry configuration interaction approach for double-exchange magnetic systems

Nishihara, S; Yamanaka, S; Kusakabe, K; Nakata, K; Yonezawa, Y; Nakamura, H; Takada, T; Yamaguchi, K

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 6 ) 2009年02月11日

ISSN: 0953-8984

DOI
Development of the simulation package 'ELSES' for extra-large-scale electronic structure calculation

Hoshi, T; Fujiwara, T

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 6 ) 2009年02月11日

ISSN: 0953-8984

DOI
The effect of water on infrared spectra of DNA

Taniguchi, H; Saito, M

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 6 ) 2009年02月11日

ISSN: 0953-8984

DOI
Theoretical study of the time-dependent phenomenon of photon-assisted tunneling through a charged quantum dot

Muraguchi, M; Shiraishi, K; Okunishi, T; Takeda, K

JOURNAL OF PHYSICS-CONDENSED MATTER 21 ( 6 ) 2009年02月11日

ISSN: 0953-8984

DOI
Paramagnetic 13C and 15N NMR Analyses of Cyanide- (13C15N-) Ligated Ferric Peroxidases: The Push Effect, Not Pull Effect, Modulates the Compound I Formation Rate

Nonaka, D; Wariishi, H; Fujii, H

BIOCHEMISTRY 48 ( 5 ) 898 - 905 2009年02月10日

ISSN: 0006-2960

DOI
Molecular Dynamical Approach to the Conformational Transition in Peptide Nanorings and Nanotubes

Teranishi, M; Okamoto, H; Takeda, K; Nomura, K; Nakano, A; Kalia, RK; Vashishta, P; Shimojo, F

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 5 ) 1473 - 1484 2009年02月05日

ISSN: 1520-6106

DOI
Impact of Perfluorination on the Charge-Transport Parameters of Oligoacene Crystals

Delgado, MCR; Pigg, KR; Filho, DADS; Gruhn, NE; Sakamoto, Y; Suzuki, T; Osuna, RM; Casado, J; Herná … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 4 ) 1502 - 1512 2009年02月04日

ISSN: 0002-7863

DOI
Artificial color tuning of firefly luminescence: Theoretical mutation by tuning electrostatic interactions between protein and luciferin

Nakatani, N; Hasegawa, J; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 469 ( 1-3 ) 191 - 194 2009年02月03日

ISSN: 0009-2614

DOI
Velocity map imaging apparatus applicable to a study of multiple photofragmentation of C60

Prodhan, MSI; Katayanagi, H; Huang, CQ; Yagi, H; Kafle, BP; Mitsuke, K

CHEMICAL PHYSICS LETTERS 469 ( 1-3 ) 19 - 25 2009年02月03日

ISSN: 0009-2614

DOI
Nanosized starlike molecules. Synthesis and optical properties of tris- and tetrakis[oligo(disilanylenebithienylene)dimethylsilyl]benzene

Naka, A; Matsumoto, Y; Itano, T; Hasegawa, K; Shimamura, T; Ohshita, J; Kunai, A; Takeuchi, T; Ishi … 全著者表示

JOURNAL OF ORGANOMETALLIC CHEMISTRY 694 ( 3 ) 346 - 352 2009年02月01日

ISSN: 0022-328X

DOI
1,4-Bis[(3,5-dimethoxyphenyl)ethynyl]benzene

Ono, K; Nakagawa, K; Tomura, M

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 65 O346 - U2370 2009年02月

ISSN: 1600-5368

DOI
Electrical Resistance of Long Oligothiophene Molecules

Yamada, R; Kumazawa, H; Tanaka, S; Tada, H

APPLIED PHYSICS EXPRESS 2 ( 2 ) 2009年02月

ISSN: 1882-0778

DOI
Electron-ion coincidence momentum imaging of molecular dissociative ionization in intense laser fields: Application to CS2

Matsuda, A; Fushitani, M; Hishikawa, A

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 169 ( 2-3 ) 97 - 101 2009年02月

ISSN: 0368-2048

DOI
Electronic properties of a carbon nanotube in a field-effect transistor structure: A first-principles study

Uchida, K; Okada, S

PHYSICAL REVIEW B 79 ( 8 ) 2009年02月

ISSN: 1098-0121

DOI
Graphitization of thin films formed by focused-ion-beam chemical-vapor-deposition

Kanda, K; Yamada, N; Okada, M; Igaki, JY; Kometani, R; Matsui, S

DIAMOND AND RELATED MATERIALS 18 ( 2-3 ) 490 - 492 2009年02月

ISSN: 0925-9635

DOI
Horizontal orientation of linear-shaped organic molecules having bulky substituents in neat and doped vacuum-deposited amorphous films

Yokoyama, D; Sakaguchi, A; Suzuki, M; Adachi, C

ORGANIC ELECTRONICS 10 ( 1 ) 127 - 137 2009年02月

ISSN: 1566-1199

DOI
Noise Properties of Incubation-Type Planar Ion Channel Biosensor

Asano, T; Nakamura, T; Wakahara, A; Urisu, T

JAPANESE JOURNAL OF APPLIED PHYSICS 48 ( 2 ) 2009年02月

ISSN: 0021-4922

DOI
Nonequilibrium mode-coupling theory for uniformly sheared systems

Chong, SH; Kim, B

PHYSICAL REVIEW E 79 ( 2 ) 2009年02月

ISSN: 1539-3755

DOI
The N-linked oligosaccharide at FcγRIIIa Asn-45: an inhibitory element for high FcγRIIIa binding affinity to IgG glycoforms lacking core fucosylation

Shibata-Koyama, M; Iida, S; Okazaki, A; Mori, K; Kitajima-Miyama, K; Saitou, S; Kakita, S; Kanda, Y … 全著者表示

GLYCOBIOLOGY 19 ( 2 ) 126 - 134 2009年02月

ISSN: 0959-6658

DOI
X-ray-absorption spectroscopy beyond the natural width measured in partial Auger yield mode

Velkov, Y; Hikosaka, Y; Shigemasa, E; Kaneyasu, T; Tamenori, Y; Liu, JC; Gel'mukhanov, F

PHYSICAL REVIEW A 79 ( 2 ) 2009年02月

ISSN: 1050-2947

DOI
Molecular Recognition in Biomolecules Studied by Statistical-Mechanical Integral-Equation Theory of Liquids

Yoshida, N; Imai, T; Phongphanphanee, S; Kovalenko, A; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 4 ) 873 - 886 2009年01月29日

ISSN: 1520-6106

DOI
Roles of the Ether Oxygen in Hydration of Tetrahydrofuran Studied by IR, NMR, and DFT Calculation Methods

Mizuno, K; Masuda, Y; Yamamura, T; Kitamura, J; Ogata, H; Bako, I; Tamai, Y; Yagasaki, T

JOURNAL OF PHYSICAL CHEMISTRY B 113 ( 4 ) 906 - 915 2009年01月29日

ISSN: 1520-6106

DOI
Aerobic Oxygenation of Benzylic Ketones Promoted by a Gold Nanocluster Catalyst

Sakurai, H; Kamiya, I; Kitahara, H; Tsunoyama, H; Tsukuda, T

SYNLETT ( 2 ) 245 - 248 2009年01月22日

ISSN: 0936-5214

DOI
Free-time and fixed end-point optimal control theory in quantum mechanics: Application to entanglement generation

Mishima, K; Yamashita, K

JOURNAL OF CHEMICAL PHYSICS 130 ( 3 ) 2009年01月21日

ISSN: 0021-9606

DOI
The Danishefsky pyranone puzzle: an explanation based on the exterior frontier orbital extension model

Kaneno, D; Tomoda, S

TETRAHEDRON LETTERS 50 ( 3 ) 329 - 332 2009年01月21日

ISSN: 0040-4039

DOI
Electronic-Type- and Diameter-Dependent Reduction of Single-Walled Carbon Nanotubes Induced by Adsorption of Electron-Donor Molecules

Zhou, J; Maeda, Y; Lu, J; Tashiro, A; Hasegawa, T; Luo, GF; Wang, L; Lai, L; Akasaka, T; Nagase, S; … 全著者表示

SMALL 5 ( 2 ) 244 - 255 2009年01月19日

ISSN: 1613-6810

DOI
Photocyclization of 2,4,6-triethylbenzophenones in the solid state

Ito, Y; Takahashi, H; Hasegawa, JY; Turro, NJ

TETRAHEDRON 65 ( 3 ) 677 - 689 2009年01月17日

ISSN: 0040-4020

DOI
Coupling and Decoupling between Translational and Rotational Dynamics in a Supercooled Molecular Liquid

Chong, SH; Kob, W

PHYSICAL REVIEW LETTERS 102 ( 2 ) 2009年01月16日

ISSN: 0031-9007

DOI
Ab initio-based approach to structural change of compound semiconductor surfaces during MBE growth

Ito, T; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 311 ( 3 ) 698 - 701 2009年01月15日

ISSN: 0022-0248

DOI
2-Iodoxybenzenesulfonic Acid as an Extremely Active Catalyst for the Selective Oxidation of Alcohols to Aldehydes, Ketones, Carboxylic Acids, and Enones with Oxone

Uyanik, M; Akakura, M; Ishihara, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 ( 1 ) 251 - 262 2009年01月14日

ISSN: 0002-7863

DOI
Anisotropic Cooperative Structural Rearrangements in Sheared Supercooled Liquids

Furukawa, A; Kim, K; Saito, S; Tanaka, H

PHYSICAL REVIEW LETTERS 102 ( 1 ) 2009年01月09日

ISSN: 0031-9007

DOI
Electrodeposition of Inorganic/Organic Hybrid Thin Films

Yoshida, T; Zhang, JB; Komatsu, D; Sawatani, S; Minoura, H; Pauporté, T; Lincot, D; Oekermann, T; S … 全著者表示

ADVANCED FUNCTIONAL MATERIALS 19 ( 1 ) 17 - 43 2009年01月09日

ISSN: 1616-301X

DOI
Energy Correlation of the Three Electrons Emitted during the Triple Photoionization of Ar

Hikosaka, Y; Lablanquie, P; Penent, F; Kaneyasu, T; Shigemasa, E; Feifel, R; Eland, JHD; Ito, K

PHYSICAL REVIEW LETTERS 102 ( 1 ) 2009年01月09日

ISSN: 0031-9007

DOI
Observation of Synchrotron Sidebands in a Storage-Ring-Based Seeded Free-Electron Laser

Labat, M; Hosaka, M; Shimada, M; Yamamoto, N; Katoh, M; Couprie, ME

PHYSICAL REVIEW LETTERS 102 ( 1 ) 2009年01月09日

ISSN: 0031-9007

DOI
Polymerized Lipid Bilayers on a Solid Substrate: Morphologies and Obstruction of Lateral Diffusion

Okazaki, T; Inaba, T; Tatsu, Y; Tero, R; Urisu, T; Morigaki, K

LANGMUIR 25 ( 1 ) 345 - 351 2009年01月06日

ISSN: 0743-7463

DOI
ENDOR Study of Oxoiron(IV) Porphyrin π-Cation Radical Complexes as Models for Compound I of Heme Enzymes

Takahashi, A; Ohba, Y; Yamauchi, S; Fujii, H

CHEMISTRY LETTERS 38 ( 1 ) 68 - 69 2009年01月05日

ISSN: 0366-7022

DOI
Generation of carrier-envelope-phase-stable 2-cycle 740-μJ pulses at 2.1-μm carrier wavelength

Gu, X; Marcus, G; Deng, YP; Metzger, T; Teisset, C; Ishii, N; Fuji, T; Baltuska, A; Butkus, R; Perv … 全著者表示

OPTICS EXPRESS 17 ( 1 ) 62 - 69 2009年01月05日

ISSN: 1094-4087

DOI
Human IgG1 expression in silkworm larval hemolymph using BmNPV bacmids and its N-linked glycan structure

Park, EY; Ishikiriyama, M; Nishina, T; Kato, T; Yagi, H; Kato, K; Ueda, H

JOURNAL OF BIOTECHNOLOGY 139 ( 1 ) 108 - 114 2009年01月01日

ISSN: 0168-1656

DOI
A Linear Chain of Water Molecules Accommodated in a Macrocyclic Nanotube Channel

Ono, K; Tsukamoto, K; Hosokawa, R; Kato, M; Suganuma, M; Tomura, M; Sako, K; Taga, K; Saito, K

NANO LETTERS 9 ( 1 ) 122 - 125 2009年01月

ISSN: 1530-6984

DOI
Capturing molecular structural dynamics by 100 ps time-resolved X-ray absorption spectroscopy

Sato, T; Nozawa, S; Ichiyanagi, K; Tomita, A; Chollet, M; Ichikawa, H; Fujii, H; Adachi, SI; Koshih … 全著者表示

JOURNAL OF SYNCHROTRON RADIATION 16 110 - 115 2009年01月

ISSN: 1600-5775

DOI
Dipyrrin ZnII Complexes with Functional Aryl Groups: Formation, Characterization, and Structures in the Solid State

Maeda, H; Hashimoto, T; Fujii, R; Hasegawa, M

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 9 ( 1 ) 240 - 248 2009年01月

ISSN: 1533-4880

DOI
Long-lasting phosphorescence in Ce-doped oxides

Yamaga, M; Ohsumi, Y; Nakayama, T; Kashiwagura, N; Kodama, N; Han, TPJ

JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS 20 471 - 475 2009年01月

ISSN: 0957-4522

DOI
Molecular dynamics study of thermal expansion and compression in spin-crossover solids using a microscopic model of elastic interactions

Nishino, M; Boukheddaden, K; Miyashita, S

PHYSICAL REVIEW B 79 ( 1 ) 2009年01月

ISSN: 2469-9950

DOI
Origin of Middle-Infrared Peaks in Cerium Compounds

Kimura, S; Iizuka, T; Kwon, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 78 ( 1 ) 2009年01月

ISSN: 0031-9015

DOI
Phase Control of Graphene Nanoribbon by Carrier Doping: Appearance of Noncollinear Magnetism

Sawada, K; Ishii, F; Saito, M; Okada, S; Kawai, T

NANO LETTERS 9 ( 1 ) 269 - 272 2009年01月

ISSN: 1530-6984

DOI
Spin and density excitations in the triangular-lattice t-J model with multiple-spin exchange interactions: 3He on graphite

Seki, K; Shirakawa, T; Ohta, Y

PHYSICAL REVIEW B 79 ( 2 ) 2009年01月

ISSN: 2469-9950

DOI
Synthesis and characterization of mesoporous carbon nano-dendrites with graphitic ultra-thin walls and their application to supercapacitor electrodes

Numao, S; Judai, K; Nishijo, J; Mizuuchi, K; Nishi, N

CARBON 47 ( 1 ) 306 - 312 2009年01月

ISSN: 0008-6223

DOI
Vibrational, electronic, and vibronic excitations of polar C60F18 molecules: Experimental and theoretical study

Popov, AA; Senyavin, VM; Korepanov, VI; Goldt, IV; Lebedev, AM; Stankevich, VG; Menshikov, KA; Svec … 全著者表示

PHYSICAL REVIEW B 79 ( 4 ) 2009年01月

ISSN: 2469-9950

DOI
A DFT Study on the Reaction Pathways for Carbon-Carbon Bond-Forming Reactions between Propargylic Alcohols and Alkenes or Ketones Catalyzed by Thiolate-Bridged Diruthenium Complexes

Sakata, K; Miyake, Y; Nishibayashi, Y

CHEMISTRY-AN ASIAN JOURNAL 4 ( 1 ) 81 - 88 2009年

ISSN: 1861-4728

DOI
A Photoconductive Covalent Organic Framework: Self-Condensed Arene Cubes Composed of Eclipsed 2D Polypyrene Sheets for Photocurrent Generation

Wan, S; Guo, J; Kim, J; Ihee, H; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 48 ( 30 ) 5439 - 5442 2009年

ISSN: 1433-7851

DOI
An Amphiphilic Resin-dispersion of Nanoparticles of Platinum (ARP-Pt): A Highly Active and Recyclable Catalyst for the Aerobic Oxidation of a Variety of Alcohols in Water

Yamada, YMA; Arakawa, T; Hocke, H; Uozumi, Y

CHEMISTRY-AN ASIAN JOURNAL 4 ( 7 ) 1092 - 1098 2009年

ISSN: 1861-4728

DOI
Asymmetric Suzuki-Miyaura Coupling in Water with a Chiral Palladium Catalyst Supported on an Amphiphilic Resin

Uozumi, Y; Matsuura, Y; Arakawa, T; Yamada, YMA

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 48 ( 15 ) 2708 - 2710 2009年

ISSN: 1433-7851

DOI
Bifunctional Heterogeneous Catalysis of Silica-Alumina-Supported Tertiary Amines with Controlled Acid-Base Interactions for Efficient 1,4-Addition Reactions

Motokura, K; Tanaka, S; Tada, M; Iwasawa, Y

CHEMISTRY-A EUROPEAN JOURNAL 15 ( 41 ) 10871 - 10879 2009年

ISSN: 0947-6539

DOI
Density Functional Studies on Isomerization of Prostaglandin H2 to Prostacyclin Catalyzed by Cytochrome P450

Yanai, TK; Mori, S

CHEMISTRY-A EUROPEAN JOURNAL 15 ( 17 ) 4464 - 4473 2009年

ISSN: 0947-6539

DOI
Development of an Amphiphilic Resin-Dispersion of Nanopalladium and Nanoplatinum Catalysts: Design, Preparation, and Their Use in Green Organic Transformations

Uozumi, Y; Yamada, YMA

CHEMICAL RECORD 9 ( 1 ) 51 - 65 2009年

ISSN: 1527-8999

DOI
Electrogenic reactions on the donor side of Mn-depleted photosystem II core particles in the presence of MnCl2 and synthetic trinuclear Mn-complexes

Kurashov, VN; Allakhverdiev, SI; Zharmukhamedov, SK; Nagata, T; Klimov, VV; Semenov, AY; Mamedov, MD

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 8 ( 2 ) 162 - 166 2009年

ISSN: 1474-905X

DOI
Electronic structure of disjoint diradical 4,4′-bis(1,2,3,5-dithiadiazolyl) thin films

Kanai, K; Yoshida, H; Noda, Y; Iwasaki, A; Suizu, R; Tsutumi, J; Imabayashi, H; Ouchi, Y; Sato, N; … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 ( 48 ) 11432 - 11436 2009年

ISSN: 1463-9076

DOI
Extension of π-conjugation length along the Qy axis of a chlorophyll a derivative for efficient dye-sensitized solar cells

Wang, XF; Kitao, O; Zhou, HS; Tamiaki, H; Sasaki, S

CHEMICAL COMMUNICATIONS ( 12 ) 1523 - 1525 2009年

ISSN: 1359-7345

DOI
High-spin polycationic states of an alternate meta-para-linked oligoarylamine incorporating two macrocycles

Sakamaki, D; Ito, A; Furukawa, K; Kato, T; Tanaka, K

CHEMICAL COMMUNICATIONS ( 30 ) 4524 - 4526 2009年

ISSN: 1359-7345

DOI
Hydrogen Dissociation by Gold Clusters

Fujitani, T; Nakamura, I; Akita, T; Okumura, M; Haruta, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 48 ( 50 ) 9515 - 9518 2009年

ISSN: 1433-7851

DOI
Hydrogen photoproduction by use of photosynthetic organisms and biomimetic systems

Allakhverdiev, SI; Kreslavski, VD; Thavasi, V; Zharmukhamedov, SK; Klimov, VV; Nagata, T; Nishihara … 全著者表示

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 8 ( 2 ) 148 - 156 2009年

ISSN: 1474-905X

DOI
INITIAL ROTATIONAL QUANTUM STATE EXCITATION AND ISOTOPIC EFFECTS FOR THE O(1D) plus HCl → OH plus Cl (OCl plus H) REACTION

Yang, H; Han, KL; Nanbu, S; Balint-Kurti, GG; Zhang, H; Smith, SC; Hankel, M

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 8 1003 - 1024 2009年

ISSN: 0219-6336

DOI
Identification of valence electronic states of aqueous acetic acid in acid-base equilibrium using site-selective X-ray emission spectroscopy

Horikawa, Y; Tokushima, T; Harada, Y; Takahashi, O; Chainani, A; Senba, Y; Ohashi, H; Hiraya, A; Sh … 全著者表示

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 ( 39 ) 8676 - 8679 2009年

ISSN: 1463-9076

DOI
Isomer selective infrared spectroscopy of supersonically cooled cis- and trans-N-phenylamides in the region from the amide band to NH stretching vibration

Miyazaki, M; Saikawa, J; Ishizuki, H; Taira, T; Fujii, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 ( 29 ) 6098 - 6106 2009年

ISSN: 1463-9076

DOI
Low-lying valence excited states of CNC, C2N, N3, and NCO studied using the electron-attached and ionized symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methodologies

Ehara, M; Gour, JR; Piecuch, P

MOLECULAR PHYSICS 107 ( 8-12 ) 871 - 880 2009年

ISSN: 0026-8976

DOI
Luminescence from π-π stacked bipyridines through arene-perfluoroarene interactions

Hori, A; Takatani, S; Miyamoto, TK; Hasegawa, M

CRYSTENGCOMM 11 ( 4 ) 567 - 569 2009年

ISSN: 1466-8033

DOI
Metal-Catalyzed Reversible Conversion between Chemical and Electrical Energy Designed Towards a Sustainable Society

Tanaka, K

CHEMICAL RECORD 9 ( 3 ) 169 - 186 2009年

ISSN: 1527-8999

DOI
Methane dehydroaromatization over Mo-modified H-MFI for gas to liquid catalysts

Aritani, H; Shibasaki, H; Orihara, H; Nakahira, A

JOURNAL OF ENVIRONMENTAL SCIENCES 21 ( 6 ) 736 - 740 2009年

ISSN: 1001-0742

DOI
Microchip-based homogeneous immunoassay using fluorescence polarization spectroscopy

Tachi, T; Kaji, N; Tokeshi, M; Baba, Y

LAB ON A CHIP 9 ( 7 ) 966 - 971 2009年

ISSN: 1473-0197

DOI
Nature of vibrational frequency modulations and the related one- and two-dimensional vibrational spectral features analysed for the amide I mode of tetraalanine in aqueous solution

Torii, H

MOLECULAR PHYSICS 107 ( 18 ) 1855 - 1866 2009年

ISSN: 0026-8976

DOI
Non-catalytic O2 evolution by [(OH2)(Clterpy)Mn(μ-O)2Mn(Clterpy)(OH2)]3+ (Clterpy=4′-chloro-2,2′:6′,2"-terpyridine) adsorbed on mica with CeIV oxidant

Yamazaki, H; Nagata, T; Yagi, M

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 8 ( 2 ) 204 - 209 2009年

ISSN: 1474-905X

DOI
Photooxidation of alcohols by a porphyrin/quinone/TEMPO system

Nagasawa, T; Allakhverdiev, SI; Kimura, Y; Nagata, T

PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 8 ( 2 ) 174 - 180 2009年

ISSN: 1474-905X

DOI
Preparation of C3-Symmetric Homochiral syn-Trisnorbornabenzenes through Regioselective Cyclotrimerization of Enantiopure Iodonorbornenes

Reza, AFGM; Higashibayashi, S; Sakurai, H

CHEMISTRY-AN ASIAN JOURNAL 4 ( 8 ) 1329 - 1337 2009年

ISSN: 1861-4728

DOI
Preparation of organic nanoscrews from simple porphyrin derivatives

Ozawa, H; Tanaka, H; Kawao, M; Uno, S; Nakazato, K

CHEMICAL COMMUNICATIONS ( 47 ) 7411 - 7413 2009年

ISSN: 1359-7345

DOI
Production of hydrogen from reactions of methane with boranes

Swinnen, S; Nguyen, VS; Sakai, S; Nguyen, MT

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 ( 42 ) 9703 - 9709 2009年

ISSN: 1463-9076

DOI
Resonance Balance Shift in Stacks of Delocalized Singlet Biradicals

Shimizu, A; Uruichi, M; Yakushi, K; Matsuzaki, H; Okamoto, H; Nakano, M; Hirao, Y; Matsumoto, K; Ku … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 48 ( 30 ) 5482 - 5486 2009年

ISSN: 1433-7851

DOI
Selective observation of the two oxygen atoms at different sites in the carboxyl group (-COOH) of liquid acetic acid

Tokushima, T; Horikawa, Y; Harada, Y; Takahashi, O; Hiraya, A; Shin, S

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 ( 11 ) 1679 - 1682 2009年

ISSN: 1463-9076

DOI
Selectivity Control in Gold-Mediated Esterification of Methanol

Xu, BJ; Liu, XY; Haubrich, J; Madix, RJ; Friend, CM

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 48 ( 23 ) 4206 - 4209 2009年

ISSN: 1433-7851

DOI
Shock tube and modeling study of isobutene pyrolysis and oxidation

Yasunaga, K; Kuraguchi, Y; Ikeuchi, R; Masaoka, H; Takahashi, O; Koike, T; Hidaka, Y

PROCEEDINGS OF THE COMBUSTION INSTITUTE 32 453 - 460 2009年

ISSN: 1540-7489

DOI
Synthesis and Characterization of the D5h Isomer of the Endohedral Dimetallofullerene Ce2@C80: Two-Dimensional Circulation of Encapsulated Metal Atoms Inside a Fullerene Cage

Yamada, M; Mizorogi, N; Tsuchiya, T; Akasaka, T; Nagase, S

CHEMISTRY-A EUROPEAN JOURNAL 15 ( 37 ) 9486 - 9493 2009年

ISSN: 0947-6539

DOI
Synthesis, Characterization and Real Molecule DFT Calculations for Neutral Organogallium(I) Aryl Dimers and Monomers: Weakness of Gallium-Gallium Bonds in Digallenes and Digallynes

Zhu, ZL; Fischer, RC; Ellis, BD; Rivard, E; Merrill, WA; Olmstead, MM; Power, PP; Guo, JD; Nagase, … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 15 ( 21 ) 5263 - 5272 2009年

ISSN: 0947-6539

DOI
T-Shaped Three-Coordinate Copper(II) Heptaphyrin Complexes

Saito, S; Furukawa, K; Osuka, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 48 ( 43 ) 8086 - 8089 2009年

ISSN: 1433-7851

DOI
The non-covalent assembly of benzene-bridged metallosalphen dimers: photoconductive tapes with large carrier mobility and spatially distinctive conduction anisotropy

Chen, L; Wang, L; Gao, XF; Nagase, S; Honsho, Y; Saeki, A; Seki, S; Jiang, DL

CHEMICAL COMMUNICATIONS ( 21 ) 3119 - 3121 2009年

ISSN: 1359-7345

DOI
Theoretical Study of the Cycloaddition Reaction of a Tungsten-Containing Carbonyl Ylide

Ito, K; Hara, Y; Mori, S; Kusama, H; Iwasawa, N

CHEMISTRY-A EUROPEAN JOURNAL 15 ( 45 ) 12408 - 12416 2009年

ISSN: 0947-6539

DOI
Two Regioisomers of Endohedral Pyrrolidinodimetallofullerenes M2@Ih-C80(CH2)2NTrt (M = La, Ce; Trt = trityl): Control of Metal Atom Positions by Addition Positions

Yamada, M; Okamura, M; Sato, S; Someya, CI; Mizorogi, N; Tsuchiya, T; Akasaka, T; Kato, T; Nagase, S

CHEMISTRY-A EUROPEAN JOURNAL 15 ( 40 ) 10533 - 10542 2009年

ISSN: 0947-6539

DOI
Two-photon imaging of localized optical fields in the vicinity of silver nanowires using a scanning near-field optical microscope

Imura, K; Kim, YC; Kim, S; Jeong, DH; Okamoto, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 ( 28 ) 5876 - 5881 2009年

ISSN: 1463-9076

DOI
Wave-Packet and Coherent Control Dynamics

Ohmori, K

ANNUAL REVIEW OF PHYSICAL CHEMISTRY 60 487 - 511 2009年

ISSN: 0066-426X

DOI
Defining the Glycan Destruction Signal for Endoplasmic Reticulum-Associated Degradation

Quan, EM; Kamiya, Y; Kamiya, D; Denic, V; Weibezahn, J; Kato, K; Weissman, JS

MOLECULAR CELL 32 ( 6 ) 870 - 877 2008年12月26日

ISSN: 1097-2765

DOI
Photodissociation Dynamics of Formaldehyde Initiated at the T1/S0 Minimum Energy Crossing Configurations

Shepler, BC; Epifanovsky, E; Zhang, P; Bowman, JM; Krylov, AI; Morokuma, K

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 51 ) 13267 - 13270 2008年12月25日

ISSN: 1089-5639

DOI
Dye fluorescence enhancement and quenching by gold nanoparticles: Direct near-field microscopic observation of shape dependence

Horimoto, NN; Imura, K; Okamoto, H

CHEMICAL PHYSICS LETTERS 467 ( 1-3 ) 105 - 109 2008年12月15日

ISSN: 0009-2614

DOI
H2O2-Reactivity of Copper(II) Complexes Supported by Tris[(pyridin-2-yl)methyl]amine Ligands with 6-Phenyl Substituents

Kunishita, A; Kubo, M; Ishimaru, H; Ogura, T; Sugimoto, H; Itoh, S

INORGANIC CHEMISTRY 47 ( 24 ) 12032 - 12039 2008年12月15日

ISSN: 0020-1669

DOI
Specific Fragmentation of K-Shell Excited/Ionized Pyridine Derivatives Studied by Electron Impact: 2-Amino-3-methylpyridine and 3-Methylpyridine

Okada, K; Sakai, M; Ohno, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 81 ( 12 ) 1580 - 1583 2008年12月15日

ISSN: 0009-2673

DOI
Theoretical study of third-order nonlinear optical properties in square nanographenes with open-shell singlet ground states

Nakano, M; Nagai, H; Fukui, H; Yoneda, K; Kishi, R; Takahashi, H; Shimizu, A; Kubo, T; Kamada, K; O … 全著者表示

CHEMICAL PHYSICS LETTERS 467 ( 1-3 ) 120 - 125 2008年12月15日

ISSN: 0009-2614

DOI
Sequential Action of ATP-dependent Subunit Conformational Change and Interaction between Helical Protrusions in the Closure of the Built-in Lid of Group II Chaperonins

Kanzaki, T; Iizuka, R; Takahashi, K; Maki, K; Masuda, R; Sahlan, M; Yébenes, H; Valpuesta, JM; Oka, … 全著者表示

JOURNAL OF BIOLOGICAL CHEMISTRY 283 ( 50 ) 34773 - 34784 2008年12月12日

DOI
Synthesis and characterizations of free base and Cu(II) complex of a porphyrin sheet

Nakamura, Y; Aratani, N; Furukawa, K; Osuka, A

TETRAHEDRON 64 ( 50 ) 11433 - 11439 2008年12月08日

ISSN: 0040-4020

DOI
Magnetic Properties and Pressure-Induced Ferromagnetism of Cu2(OH)3(CH3COO) • H2O

Suzuki, K; Haines, J; Rabu, P; Inoue, K; Drillon, M

JOURNAL OF PHYSICAL CHEMISTRY C 112 ( 48 ) 19147 - 19150 2008年12月04日

ISSN: 1932-7447

DOI
New infrared reflection absorption spectroscopy (IRRAS) system for observation of solid-solution interface biomaterials

Abu Sayed, M; Uno, H; Harada, K; Tanaka, K; Kim, YH; Nakaoki, Y; Okumura, K; Tero, R; Urisu, T

CHEMICAL PHYSICS LETTERS 466 ( 4-6 ) 235 - 239 2008年12月04日

ISSN: 0009-2614

DOI
Radical Coupling Reaction of Paramagnetic Endohedral Metallofullerene La@C82

Takano, Y; Yomogida, A; Nikawa, H; Yamada, M; Wakahara, T; Tsuchiya, T; Ishitsuka, MO; Maeda, Y; Ak … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 48 ) 16224 - 16230 2008年12月03日

ISSN: 0002-7863

DOI
Brownian Dynamics Simulations of a Wild Type and Mutants of Bovine Pancreatic Trypsin Inhibitors

Oda, A; Yamaotsu, N; Hirono, S; Takahashi, O

BIOLOGICAL & PHARMACEUTICAL BULLETIN 31 ( 12 ) 2182 - 2186 2008年12月

ISSN: 0918-6158

DOI
Comparative study of excitonic structures and luminescence properties of Bi4Ge3O12 and Bi12GeO20

Itoh, M; Katagiri, T; Mitani, H; Fujita, M; Usuki, Y

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 245 ( 12 ) 2733 - 2736 2008年12月

ISSN: 0370-1972

DOI
Crystallographic and theoretical studies of 4,4′-dimethyl-7,7′-bi([1,2,5]thiadiazolo[3,4-b]pyridylidene)-chloranilic acid (1/1) with intermolecular O-H•••N hydrogen bonds and S•••O heteroatom interactions

Tomura, M; Ono, K; Yamashita, Y

STRUCTURAL CHEMISTRY 19 ( 6 ) 967 - 974 2008年12月

ISSN: 1040-0400

DOI
DFT Study for the Heterojunction Effect in the Precious Metal Clusters

Okumura, M; Kinoshita, M; Yabushita, H; Kitagawa, Y; Kawakami, T; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 15 ) 2888 - 2895 2008年12月

ISSN: 0020-7608

DOI
Extended Hartree-Fock Theory of Chemical Reactions. VIII. Hydroxylation Reactions by P450

Isobe, H; Nishihara, S; Shoji, M; Yamanaka, S; Shimada, J; Hagiwara, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 15 ) 2991 - 3009 2008年12月

ISSN: 0020-7608

DOI
Isotope effect on metal-insulator transition of (EDO-TTF)2XF6 (X = P, As) with multi-instability of metallic state

Nakano, Y; Balodis, K; Yamochi, H; Saito, G; Uruichi, M; Yakushi, K

SOLID STATE SCIENCES 10 ( 12 ) 1780 - 1785 2008年12月

ISSN: 1293-2558

DOI
N-Bands Hubbard Models. IV. Comparisons of Electron- or Hole-Doped Quaternary Oxypictides LaOMPn Superconductors With Cuprates

Yamaguchi, K; Yamanaka, S; Isobe, H; Hagihara, M; Yamaki, D; Nishihara, M; Kitagawa, Y; Kawakami, T … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 15 ) 3016 - 3041 2008年12月

ISSN: 0020-7608

DOI
Numerical study on the anisotropic triangular-lattice Hubbard model at quarter filling: Charge fluctuations with three-fold periodicity

Shingai, M; Nishimoto, S; Ohta, Y

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 69 ( 12 ) 3382 - 3384 2008年12月

ISSN: 0022-3697

DOI
Resonating Broken Symmetry CI Approach for Ion-Radical Systems: Comparison With UHF, Hybrid-DFT, and CASSCF-DFT

Nishihara, S; Yamanaka, S; Ukai, T; Nakata, K; Kusakabe, K; Yonezawa, Y; Nakamura, H; Takada, T; Ya … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 15 ) 2966 - 2977 2008年12月

ISSN: 0020-7608

DOI
Structure of the putative 32 kDa myrosinase-binding protein from Arabidopsis (At3g16450.1) determined by SAIL-NMR

Takeda, M; Sugimori, N; Torizawa, T; Terauchi, T; Ono, AM; Yagi, H; Yamaguchi, Y; Kato, K; Ikeya, T … 全著者表示

FEBS JOURNAL 275 ( 23 ) 5873 - 5884 2008年12月

ISSN: 1742-464X

DOI
Superconductivity in B-doped diamonds

Fukuyama, H; Ohta, Y; Shirakawa, T; Horiuchi, S

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 69 ( 12 ) 3265 - 3268 2008年12月

ISSN: 0022-3697

DOI
Theoretical Studies on Effects of Hydrogen Bonds Attaching to Cysteine Ligands on 4Fe-4S Clusters

Kitagawa, Y; Shoji, M; Saito, T; Nakanishi, Y; Koizumi, K; Kawakami, T; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 15 ) 2881 - 2887 2008年12月

ISSN: 0020-7608

DOI
Theoretical study on the electronic states in hollandite vanadate K2V8O16

Horiuchi, S; Ohta, Y

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 69 ( 12 ) 3379 - 3381 2008年12月

ISSN: 0022-3697

DOI
Theory of Chemical Bonds in Metalloenzymes XI: Full Geometry Optimization and Vibration Analysis of Porphyrin Iron-Oxo Species

Shoji, M; Isobe, H; Saito, T; Kitagawa, Y; Yamanaka, S; Kawakami, T; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 15 ) 2950 - 2965 2008年12月

ISSN: 0020-7608

DOI
Thin layers of new salt, BET-TTF[Ni(dmit)2]2, electrodeposited on silicon wafers

Kowalska, AA; Savy, JP; de Caro, D; Valade, L; Vendier, L; Laukhina, E; Rovira, C; Ulanski, J

SOLID STATE SCIENCES 10 ( 12 ) 1777 - 1779 2008年12月

ISSN: 1293-2558

DOI
Variational Monte Carlo study on superconductivity in the anisotropic triangular lattice Hubbard models

Kataoka, Y; Ohta, Y

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 69 ( 12 ) 3330 - 3333 2008年12月

ISSN: 0022-3697

DOI
Force Field Parameters for Rotation Around χ Torsion Axis in Nucleic Acids

Ode, H; Matsuo, Y; Neya, S; Hoshino, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 29 ( 15 ) 2531 - 2542 2008年11月30日

ISSN: 0192-8651

DOI
Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: A novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation

Takahashi, H; Ohno, H; Kishi, R; Nakano, M; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 129 ( 20 ) 2008年11月28日

ISSN: 0021-9606

DOI
Site-specific fragmentation caused by core-level photoionization in F3SiCH2CH2Si(CH3)3 vapor: Comparison between Si:1s and 2p photoionizations by means of photoelectron-photoion-photoion triple-coincidence spectroscopy

Nagaoka, S; Takemoto, M; Prümper, G; Fukuzawa, H; Tamenori, Y; Suzuki, IH; Ueda, K

JOURNAL OF CHEMICAL PHYSICS 129 ( 20 ) 2008年11月28日

ISSN: 0021-9606

DOI
Conformation-Specific Raman Bands and Electronic Conjugation in Substituted Thioanisoles

Yamakita, Y; Okazaki, T; Ohno, K

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 47 ) 12220 - 12227 2008年11月27日

ISSN: 1089-5639

DOI
Chemistry of Boryllithium: Synthesis, Structure, and Reactivity

Segawa, Y; Suzuki, Y; Yamashita, M; Nozaki, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 47 ) 16069 - 16079 2008年11月26日

ISSN: 0002-7863

DOI
>1 MW peak power single-mode high-brightness passively Q-switched Nd3+:YAG microchip laser

Sakai, H; Kan, H; Taira, T

OPTICS EXPRESS 16 ( 24 ) 19891 - 19899 2008年11月24日

ISSN: 1094-4087

DOI
Chemiluminescence Change of Polyphenol Dendrimers with Different Core Molecules

Agawa, H; Nakazono, M; Nanbu, S; Zaitsu, K

ORGANIC LETTERS 10 ( 22 ) 5171 - 5174 2008年11月20日

ISSN: 1523-7060

DOI
Ligand Exchange as the First Irreversible Step in the Nickel-Catalyzed Cross-Coupling Reaction of Grignard Reagents

Yoshikai, N; Matsuda, H; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 46 ) 15258 - + 2008年11月19日

ISSN: 0002-7863

DOI
Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory

Tsuchimochi, T; Kobayashi, M; Nakata, A; Imamura, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 29 ( 14 ) 2311 - 2316 2008年11月15日

ISSN: 0192-8651

DOI
Computations on Three Isomers of La@C74

Slanina, Z; Uhlík, F; Lee, SL; Adamowicz, L; Nagase, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 14 ) 2636 - 2640 2008年11月15日

ISSN: 0020-7608

DOI
Photoionization cross sections of H2+ and H2 with complex Gaussian-type basis functions optimized for the frequency-dependent polarizabilities

Morita, M; Yabushita, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 29 ( 14 ) 2471 - 2478 2008年11月15日

ISSN: 0192-8651

DOI
Photoionization cross sections with optimized orbital exponents within the complex basis function method

Morita, M; Yabushita, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 29 ( 14 ) 2317 - 2329 2008年11月15日

ISSN: 0192-8651

DOI
Theoretical study for a complex of 1,2,5-thiadiazole with formic acid

Tomura, M

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 868 ( 1-3 ) 1 - 5 2008年11月15日

ISSN: 0166-1280

DOI
Time dependence of the electronic structure of an electron-beam-irradiated C60 film

Onoe, J; Ito, T; Kimura, S

JOURNAL OF APPLIED PHYSICS 104 ( 10 ) 2008年11月15日

ISSN: 0021-8979

DOI
A water molecule identified as a substrate of enzymatic hydrolysis of cellulose: A statistical-mechanics study

Ikuta, Y; Karita, S; Kitago, Y; Watanabe, N; Hirata, F

CHEMICAL PHYSICS LETTERS 465 ( 4-6 ) 279 - 284 2008年11月13日

ISSN: 0009-2614

DOI
Electronic transitions in cis- and trans-dichloroethylenes and tetrachloroethylene

Arulmozhiraja, S; Ehara, M; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 129 ( 17 ) 2008年11月07日

ISSN: 0021-9606

DOI
Theoretical Investigation of the Electronic Asymmetry of the Special Pair Cation Radical in the Photosynthetic Type-II Reaction Center

Yamasaki, H; Takano, Y; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY B 112 ( 44 ) 13923 - 13933 2008年11月06日

ISSN: 1520-6106

DOI
X-ray absorption spectroscopy measured in resonant X-ray scattering mode: How unnatural is the resolution beyond the natural width?

Velkov, Y; Hikosaka, Y; Shigemasa, E; Gavrilyuk, S; Gel'mukhanov, F

CHEMICAL PHYSICS LETTERS 465 ( 1-3 ) 153 - 156 2008年11月03日

ISSN: 0009-2614

DOI
5,5-Bis(4-methoxyphenyl)-2,8-bis[3-(trifluoromethyl)phenyl]-5H-cyclopenta-[2,1-b:3,4-b′]dipyridine

Ono, K; Tomura, M; Saito, K

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 64 O2183 - U2571 2008年11月

ISSN: 1600-5368

DOI
Ab initio approach to reconstructions of the InP(111)A surface: Role of hydrogen atoms passivating surface dangling bonds

Akiyama, T; Kondo, T; Tatematsu, H; Nakamura, K; Ito, T

PHYSICAL REVIEW B 78 ( 20 ) 2008年11月

ISSN: 1098-0121

DOI
Combining photoemission and optical spectroscopies for reliable valence determination in YbS and Yb metal

Matsunami, M; Chainani, A; Taguchi, M; Eguchi, R; Ishida, Y; Takata, Y; Okamura, H; Nanba, T; Yabas … 全著者表示

PHYSICAL REVIEW B 78 ( 19 ) 2008年11月

ISSN: 1098-0121

DOI
Effect of Central Metal Ion, CoII in the FeII Spin-Crossover Complex in Emulsion Polymerization of Trifluoroethylmethacrylate Using Poly(Vinyl Alcohol)

Suzuki, A; Iguchi, M; Oku, T; Fujiwara, M

MATERIALS TRANSACTIONS 49 ( 11 ) 2465 - 2468 2008年11月

ISSN: 1345-9678

DOI
Empirical Potential Approach to the Formation of 3C-SiC/Si(110)

Ito, T; Kanno, T; Akiyama, T; Nakamura, K; Konno, A; Suemitsu, M

APPLIED PHYSICS EXPRESS 1 ( 11 ) 2008年11月

ISSN: 1882-0778

DOI
Enhanced coherent dynamics near a transition between neutral quantum-paraelectric and ionic ferroelectric phases in the quantum Blume-Emery-Griffiths model

Yonemitsu, K

PHYSICAL REVIEW B 78 ( 20 ) 2008年11月

ISSN: 2469-9950

DOI
Exchange interaction in Kr 3d excitations of small krypton clusters

Nagasaka, M; Hatsui, T; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 166 16 - 20 2008年11月

ISSN: 0368-2048

DOI
Excitonic Instability in the Transition from the Black Phase to the Golden Phase of SmS under Pressure Investigated by Infrared Spectroscopy

Mizuno, T; Iizuka, T; Kimura, S; Matsubayashi, K; Imura, K; Suzuki, HS; Sato, NK

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 11 ) 2008年11月

ISSN: 0031-9015

DOI
Magneto-Optical Characterization on the Ferromagnetic-Paramagnetic Transitions in the Composition-Spread Epitaxial Film of Sr1-xCaxRuO3

Hosaka, N; Yamada, H; Shimada, Y; Fujioka, J; Bordács, S; Kézsmárki, I; Kawasaki, M; Tokura, Y

APPLIED PHYSICS EXPRESS 1 ( 11 ) 2008年11月

ISSN: 1882-0778

DOI
Merged and separate band profiles arising from resonantly coupled vibrational modes of liquid mixtures: theoretical study

Torii, H; Osada, Y; Iwami, M

JOURNAL OF RAMAN SPECTROSCOPY 39 ( 11 ) 1592 - 1599 2008年11月

ISSN: 0377-0486

DOI
Synthesis and physical properties of MgxC70 (1< x ≤ 5)

Heguri, S; Hara, T; Kobayashi, M

SOLID STATE COMMUNICATIONS 148 ( 5-6 ) 251 - 254 2008年11月

ISSN: 0038-1098

DOI
Mechanisms of Spontaneous Two-Electron Emission from Core-Excited States of Molecular CO

Kaneyasu, T; Hikosaka, Y; Lablanquie, P; Penent, F; Andric, L; Gamblin, G; Eland, JHD; Tamenori, Y; … 全著者表示

PHYSICAL REVIEW LETTERS 101 ( 18 ) 2008年10月31日

ISSN: 0031-9007

DOI
Probing force-induced unfolding intermediates of a single staphylococcal nuclease molecule and the effect of ligand binding

Ishii, T; Murayama, Y; Katano, A; Maki, K; Kuwajima, K; Sano, M

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 375 ( 4 ) 586 - 591 2008年10月31日

ISSN: 0006-291X

DOI
Theoretical Studies of Metallo (Li and Na)-Ene Reaction Mechanisms

Sakai, S; Hikida, T

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 43 ) 10985 - 10992 2008年10月30日

ISSN: 1089-5639

DOI
Direct observation of the electronic states of single crystalline rubrene under ambient condition by photoelectron yield spectroscopy

Nakayama, Y; Machida, S; Minari, T; Tsukagishi, K; Noguchi, Y; Ishii, H

APPLIED PHYSICS LETTERS 93 ( 17 ) 2008年10月27日

ISSN: 0003-6951

DOI
Nonlinear optical properties of Ca5(BO3)3F crystal

Xu, K; Loiseau, P; Aka, G; Maillard, R; Maillard, A; Taira, T

OPTICS EXPRESS 16 ( 22 ) 17735 - 17744 2008年10月27日

ISSN: 1094-4087

DOI
Development of a Finite-Temperature Density Functional Approach to Electrochemical Reactions

Shiratori, K; Nobusada, K

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 42 ) 10681 - 10688 2008年10月23日

ISSN: 1089-5639

DOI
Synthesis and reactions of a stable 1,2-diaryl-1,2-dibromodisilene: A precursor for substituted disilenes and a 1,2-diaryldisilyne

Sasamori, T; Hironaka, K; Sugiyama, Y; Takagi, N; Nagase, S; Hosoo, Y; Furukawa, Y; Tokitoh, N

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 42 ) 13856 - 13857 2008年10月22日

ISSN: 0002-7863

DOI
Lipid Bilayer Membrane with Atomic Step Structure: Supported Bilayer on a Step-and-Terrace TiO2(100) Surface

Tero, R; Ujihara, T; Urisut, T

LANGMUIR 24 ( 20 ) 11567 - 11576 2008年10月21日

ISSN: 0743-7463

DOI
Optimization of a Seeded Free-Electron Laser with Helical Undulators

Labat, M; Hosaka, M; Shimada, M; Katoh, M; Couprie, ME

PHYSICAL REVIEW LETTERS 101 ( 16 ) 2008年10月17日

ISSN: 0031-9007

DOI
Heterogeneous Asymmetric Catalysis in Water with Amphiphilic Polymer-Supported Homochiral Palladium Complexes

Uozumi, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 81 ( 10 ) 1183 - 1195 2008年10月15日

ISSN: 0009-2673

DOI
Properties of adsorbates as open quantum systems

Yasuike, T; Nobusada, K

SURFACE SCIENCE 602 ( 20 ) 3144 - 3147 2008年10月15日

ISSN: 0039-6028

DOI
Mg-doped congruent LiTaO3 crystal for large-aperture quasi-phase matching device

Ishizuki, H; Taira, T

OPTICS EXPRESS 16 ( 21 ) 16963 - 16970 2008年10月13日

ISSN: 1094-4087

DOI
Synthesis of [2,6-bis(2-oxazolinyl)phenyl]palladium complexes via the ligand introduction route

Kimura, T; Uozumi, Y

ORGANOMETALLICS 27 ( 19 ) 5159 - 5162 2008年10月13日

ISSN: 0276-7333

DOI
Local concentration of gel phase domains in supported lipid bilayers under light irradiation in binary mixture of phospholipids doped with dyes for photoinduced activation

Ujihara, T; Suzuki, S; Yamauchi, Y; Tero, R; Takeda, Y

LANGMUIR 24 ( 19 ) 10974 - 10980 2008年10月07日

ISSN: 0743-7463

DOI
Site-dependent spectral shifts in core-to-π* excitations of pyridine clusters

Bradeanu, IL; Kosugi, N; Flesch, R; Rühl, E

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 39 ) 9192 - 9199 2008年10月02日

ISSN: 1089-5639

DOI
Diverse magnetic and electrical properties of molecular solids containing the thiazyl radical BDTA

Awaga, K; Umezono, Y; Fujita, W; Yoshikawa, H; Cui, HB; Kobayashi, H; Staniland, SS; Robertson, N

INORGANICA CHIMICA ACTA 361 ( 14-15 ) 3761 - 3770 2008年10月01日

ISSN: 0020-1693

DOI
Does Gd@C82 have an anomalous endohedral structure?: Synthesis and single crystal X-ray structure of the carbene adduct

Akasaka, T; Kono, T; Takematsu, Y; Nikawa, H; Nakahodo, T; Wakahara, T; Ishitsuka, MO; Tsuchiya, T; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 39 ) 12840 - + 2008年10月01日

ISSN: 0002-7863

DOI
Origin of the regio- and stereoselectivity of allylic substitution of organocopper reagents

Yoshikai, N; Zhang, SL; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 39 ) 12862 - + 2008年10月01日

ISSN: 0002-7863

DOI
Projector Monte Carlo method based on configuration state functions.: Test applications to the H4 system and dissociation of LiH

Ohtsuka, Y; Nagase, S

CHEMICAL PHYSICS LETTERS 463 ( 4-6 ) 431 - 434 2008年10月01日

ISSN: 0009-2614

DOI
Antiferromagnetism versus Kondo screening in the two-dimensional periodic Anderson model at half filling: Variational cluster approach

Horiuchi, S; Kudo, S; Shirakawa, T; Ohta, Y

PHYSICAL REVIEW B 78 ( 15 ) 2008年10月

ISSN: 1098-0121

DOI
Connections of activated hopping processes with the breakdown of the Stokes-Einstein relation and with aspects of dynamical heterogeneities

Chong, SH

PHYSICAL REVIEW E 78 ( 4 ) 2008年10月

ISSN: 1539-3755

DOI
Evolution of energy deposition processes in anthracene single crystal from photochemistry to radiation chemistry under excitation with synchrotron radiation from 3 to 700 eV

Nakagawa, K; Jin, Z; Shimoyama, I; Miyake, Y; Ueno, M; Kishigami, Y; Horiuchi, H; Tanaka, M; Kaneko … 全著者表示

RADIATION PHYSICS AND CHEMISTRY 77 ( 10-12 ) 1156 - 1159 2008年10月

ISSN: 0969-806X

DOI
Exciton Dynamics of Molecular Aggregate Systems Composed of Triangular Lattice Units: Structural Dependence of Exciton Migration and Recurrence

Minami, T; Nakano, M; Fukui, H; Nagai, H; Kishi, R; Takahashi, H

JOURNAL OF PHYSICAL CHEMISTRY C 112 ( 42 ) 16675 - 16681 2008年10月

ISSN: 1932-7447

DOI
High-mobility bottom-contact thin-film transistor based on anthracene oligomer

Kumaki, D; Umeda, T; Suzuki, T; Tokito, S

ORGANIC ELECTRONICS 9 ( 5 ) 921 - 924 2008年10月

ISSN: 1566-1199

DOI
Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN: First-principles calculations

Gohda, Y; Oshiyama, A

PHYSICAL REVIEW B 78 ( 16 ) 2008年10月

ISSN: 2469-9950

DOI
Optical oscillator strength distribution of amino acids from 3 to 250 eV and examination of the Thomas-Reiche-Kuhn sum rule

Kamohara, M; Izumi, Y; Tanaka, M; Okamoto, K; Tanaka, M; Kaneko, F; Kodama, Y; Koketsu, T; Nakagawa … 全著者表示

RADIATION PHYSICS AND CHEMISTRY 77 ( 10-12 ) 1153 - 1155 2008年10月

ISSN: 0969-806X

DOI
Optical properties of the charge-density-wave compound CeTe2

Lee, KE; Lee, CI; Oh, HJ; Jung, MA; Min, BH; Im, HJ; Iizuka, T; Lee, YS; Kimura, S; Kwon, YS

PHYSICAL REVIEW B 78 ( 13 ) 2008年10月

ISSN: 1098-0121

DOI
Pd Nanoparticle Embedded with Only One Co Atom Behaves as a Single-Particle Magnet

Ito, Y; Miyazaki, A; Fukui, K; Valiyaveettil, S; Yokoyama, T; Enoki, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 10 ) 2008年10月

ISSN: 0031-9015

DOI
Reconstitution of the water-oxidizing complex in manganese-depleted photosystem II preparations using synthetic Mn complexes: a fluorine-19 NMR study of the reconstitution process

Nagata, T; Zharmukhamedov, SK; Khorobrykh, AA; Klimov, VV; Allakhverdiev, SI

PHOTOSYNTHESIS RESEARCH 98 ( 1-3 ) 277 - 284 2008年10月

ISSN: 0166-8595

DOI
Selective adsorption of cations on single-walled carbon nanotubes: A density functional theory study

Wang, D; Lu, J; Zhou, J; Lai, L; Wang, L; Luo, GF; Gao, ZX; Li, GP; Mei, WN; Nagase, S; Maeda, Y; A … 全著者表示

COMPUTATIONAL MATERIALS SCIENCE 43 ( 4 ) 886 - 891 2008年10月

ISSN: 0927-0256

DOI
Simple purification and selective enrichment of metallic SWCNTs produced using the arc-discharge method

Maeda, Y; Takano, Y; Sagara, A; Hashimoto, M; Kanda, M; Kimura, SI; Lian, Y; Nakahodo, T; Tsuchiya, … 全著者表示

CARBON 46 ( 12 ) 1563 - 1569 2008年10月

ISSN: 0008-6223

DOI
Synthesis of 6,13-Dithienylpentacenes by Photolysis of their Endoperoxides

Ono, K; Hiei, T; Tajika, M; Taga, K; Saito, K; Tomura, M; Nishida, JI; Yamashita, Y

LETTERS IN ORGANIC CHEMISTRY 5 ( 7 ) 522 - 526 2008年10月

ISSN: 1570-1786

DOI
An ab initio-based approach to phase diagram calculations for GaAs(001)-(2x4)γ surfaces

Ito, T; Akiyama, T; Nakamura, K

APPLIED SURFACE SCIENCE 254 ( 23 ) 7663 - 7667 2008年09月30日

ISSN: 0169-4332

DOI
An ab initio-based approach to phase diagram calculations for GaN(0001) surfaces

Ito, T; Nakamura, T; Akiyama, T; Nakamura, K

APPLIED SURFACE SCIENCE 254 ( 23 ) 7659 - 7662 2008年09月30日

ISSN: 0169-4332

DOI
Theoretical investigation on structural stability of InN thin films on 3C-SiC(001)

Ito, T; Akiyama, T; Nakamura, K; Ito, T

APPLIED SURFACE SCIENCE 254 ( 23 ) 7672 - 7675 2008年09月30日

ISSN: 0169-4332

DOI
Theoretical investigations for zinc blende-wurtzite polytypism in GaAs layers at Au/GaAs(111) interfaces

Haneda, Y; Akiyama, T; Nakamura, K; Ito, T

APPLIED SURFACE SCIENCE 254 ( 23 ) 7746 - 7749 2008年09月30日

ISSN: 0169-4332

DOI
Theoretical investigations on the formation of wurtzite segments in group III-V semiconductor nanowires

Yamashita, T; Sano, K; Akiyama, T; Nakamura, K; Ito, T

APPLIED SURFACE SCIENCE 254 ( 23 ) 7668 - 7671 2008年09月30日

ISSN: 0169-4332

DOI
Synthesis and properties of naphthalene trimers linked by 1,3,4-oxadiazole spacers

Ono, K; Ito, H; Nakashima, A; Uemoto, M; Tomura, M; Saito, K

TETRAHEDRON LETTERS 49 ( 40 ) 5816 - 5819 2008年09月29日

ISSN: 0040-4039

DOI
Quantum chemical study of Lewis acid catalyzed allylboration of aldehydes

Sakata, K; Fujimoto, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 37 ) 12519 - 12526 2008年09月17日

ISSN: 0002-7863

DOI
Gangliosides' Inhibitory Effects on NAD Glycohydrolase: Estimating the Solvation Effect in the Physiological Environment

Ueno-Noto, K; Hara-Yokoyama, M; Takano, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 81 ( 9 ) 1062 - 1071 2008年09月15日

ISSN: 0009-2673

DOI
Structures and electronic properties of Si nanowires grown along the [110] direction: Role of surface reconstruction

Akiyama, T; Nakamura, K; Ito, T

SURFACE SCIENCE 602 ( 18 ) 3033 - 3037 2008年09月15日

ISSN: 0039-6028

DOI
Substituent and Solvent Effects on Square-Planar-Tetrahedral Equilibria of Bis[4-(arylimino)pentan-2-onato]nickel(II) and Bis[1-aryl-3-(phenylimino)butan-1-onato]nickel(II) Complexes

Mori, Y; Shirase, H; Fukuda, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 81 ( 9 ) 1108 - 1115 2008年09月15日

ISSN: 0009-2673

DOI
Torquoselective olefination of carbonyl compounds with ynolates: Highly efficient stereoselective synthesis of tetrasubstituted alkenes

Shindo, M; Mori, S

SYNLETT ( 15 ) 2231 - 2243 2008年09月15日

ISSN: 0936-5214

DOI
Consequences of strong coupling between solvation and electronic structure in the excited state of a betaine dye

Ishida, T; Rossky, PJ

JOURNAL OF PHYSICAL CHEMISTRY B 112 ( 36 ) 11353 - 11360 2008年09月11日

ISSN: 1520-6106

DOI
Theoretical study on second hyperpolarizabilities of singlet diradical square planar nickel complexes involving o-semiquinonato type ligands

Fukui, H; Kishi, R; Minami, T; Nagai, H; Takahashi, H; Kubo, T; Kamada, K; Ohta, K; Champagne, B; B … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 36 ) 8423 - 8429 2008年09月11日

ISSN: 1089-5639

DOI
Origin of color tuning in human red, green, and blue cone pigments: SAC-CI and QM/MM study

Fujimoto, K; Hasegawa, JY; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 462 ( 4-6 ) 318 - 320 2008年09月10日

ISSN: 0009-2614

DOI
Exciton transfer in quantum dot arrays: Comparison of eigenbasis and site basis representations

Kubota, Y; Nobusada, K

JOURNAL OF CHEMICAL PHYSICS 129 ( 9 ) 2008年09月07日

ISSN: 0021-9606

DOI
Near-field Raman imaging and electromagnetic field confinement in the self-assembled monolayer array of gold nanoparticles

Hossain, MK; Shimada, T; Kitajima, M; Imura, K; Okamoto, H

LANGMUIR 24 ( 17 ) 9241 - 9244 2008年09月02日

ISSN: 0743-7463

DOI
Chiral distortion in a MnIV(salen)(N3)2 derived from Jacobsen's catalyst as a possible conformation model for its enantioselective reactions

Kurahashi, T; Fujii, H

INORGANIC CHEMISTRY 47 ( 17 ) 7556 - 7567 2008年09月01日

ISSN: 0020-1669

DOI
Specific fragmentation of [(CH3)2CO]Arn heteroclusters induced by the Ar L23- and O K-shell excitation

Tamenori, Y; Okada, K; Tabayashi, K; Gejo, T; Honma, K

CHEMICAL PHYSICS LETTERS 462 ( 1-3 ) 40 - 44 2008年09月01日

ISSN: 0009-2614

DOI
Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation

Katagiri, D; Fuji, H; Neya, S; Hoshino, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 29 ( 12 ) 1930 - 1944 2008年09月

ISSN: 0192-8651

DOI
DFT study of bronsted acid catalyzed nitroso aldol reaction between achiral enamines and nitrosobenzene: The reason for regio- and enantioselectivity

Akakura, M; Kawasaki, M; Yamamoto, H

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2008 ( 25 ) 4245 - 4249 2008年09月

ISSN: 1434-193X

DOI
Influence of the next-nearest-neighbor cations on Tl+ ions doped in ammonium chloride crystals

Kawai, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 9 ) 2008年09月

ISSN: 0031-9015

DOI
Infrared and Raman spectroscopic study of BDA-TTP [2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene] and its charge-transfer salts

Uruichi, M; Nakano, C; Tanaka, M; Yakushi, K; Kaihatsu, T; Yamada, J

SOLID STATE COMMUNICATIONS 147 ( 11-12 ) 484 - 489 2008年09月

ISSN: 0038-1098

DOI
Lix@C60:: Calculations of the encapsulation energetics and thermodynamics

Slanina, Z; Uhlík, F; Lee, SL; Adamowicz, L; Nagase, S

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 9 ( 9 ) 1841 - 1850 2008年09月

ISSN: 1661-6596

DOI
Magnetic properties of self-assembled Co nanorods grown on Cu(110)-(2x3)N

Ma, XD; Nakagawa, T; Takagi, Y; Przybylski, M; Leibsle, FM; Yokoyama, T

PHYSICAL REVIEW B 78 ( 10 ) 2008年09月

ISSN: 2469-9950

DOI
Stress dependence of oxidation reaction at SiO2/Si interfaces during silicon thermal oxidation

Akiyama, T; Kageshima, H; Uematsu, M; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS 47 ( 9 ) 7089 - 7093 2008年09月

ISSN: 0021-4922

DOI
Surface chemistry of alkyl-passivated silicon nanoparticles studied by synchrotron-radiation photoelectron spectroscopy

Tanaka, A; Takashima, N; Imamura, M; Kitagawa, T; Murase, Y; Yasuda, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 9 ) 2008年09月

ISSN: 0031-9015

DOI
Quantum mechanical calculation of energy dependence of OCl/OH product branching ratio and product quantum state distributions for the O(1D) plus HCl reaction on all three contributing electronic state potential energy surfaces

Yang, H; Han, KL; Nanbu, S; Nakamura, H; Balint-Kurti, GG; Zhang, H; Smith, SC; Hankel, M

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 34 ) 7947 - 7960 2008年08月28日

ISSN: 1089-5639

DOI
Comparative study of carbon and BN nanographenes: Ground electronic states and energy gap engineering

Gao, XF; Zhou, Z; Zhao, YL; Nagase, S; Zhang, SB; Chen, ZF

JOURNAL OF PHYSICAL CHEMISTRY C 112 ( 33 ) 12677 - 12682 2008年08月21日

ISSN: 1932-7447

DOI
Isomeric discriminating and indiscriminating assembly of adsorbed oligothiophenes on Ag(110)

Yokoyama, T; Kurata, S; Tanaka, S

JOURNAL OF PHYSICAL CHEMISTRY C 112 ( 33 ) 12590 - 12593 2008年08月21日

ISSN: 1932-7447

DOI
Spectroscopic and theoretical study of endohedral dimetallofullerene having a Non-IPR fullerene cage:: Ce2@C72

Yamada, M; Wakahara, T; Tsuchiya, T; Maeda, Y; Akasaka, T; Mizorogi, N; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 33 ) 7627 - 7631 2008年08月21日

ISSN: 1089-5639

DOI
Dissecting β-ring assembly pathway of the mammalian 20S proteasome

Hirano, Y; Kaneko, T; Okamoto, K; Bai, M; Yashiroda, H; Furuyama, K; Kato, K; Tanaka, K; Murata, S

EMBO JOURNAL 27 ( 16 ) 2204 - 2213 2008年08月20日

ISSN: 0261-4189

DOI
Multilayer polarization elements and their applications to polarimetric studies in vacuum ultraviolet and soft X-ray regions

Watanabe, M; Hatano, T; Saito, K; Hu, WB; Takeo, E; Tsuru, T; Takahashi, M; Kimura, H; Hirono, T; W … 全著者表示

NUCLEAR SCIENCE AND TECHNIQUES 19 ( 4 ) 193 - 203 2008年08月20日

ISSN: 1001-8042

DOI
X-ray absorption measured in the resonant Auger scattering mode

Hikosaka, Y; Velkov, Y; Shigemasa, E; Kaneyasu, T; Tamenori, Y; Liu, J; Gel'mukhanov, F

PHYSICAL REVIEW LETTERS 101 ( 7 ) 2008年08月15日

ISSN: 0031-9007

DOI
Ligand exchange of Au25SG18 leading to functionalized gold clusters:: Spectroscopy, kinetics, and luminescence

Shibu, ES; Muhammed, MAH; Tsukuda, T; Pradeep, T

JOURNAL OF PHYSICAL CHEMISTRY C 112 ( 32 ) 12168 - 12176 2008年08月14日

ISSN: 1932-7447

DOI
Photoinduced change in the charge order pattern in the quarter-filled organic conductor (EDO-TTF)2PF6 with a strong electron-phonon interaction

Onda, K; Ogihara, S; Yonemitsu, K; Maeshima, N; Ishikawa, T; Okimoto, Y; Shao, XF; Nakano, Y; Yamoc … 全著者表示

PHYSICAL REVIEW LETTERS 101 ( 6 ) 2008年08月08日

ISSN: 0031-9007

DOI
A new crystalline phase of four-fold coordinated silicon and germanium

Fujimoto, Y; Koretsune, T; Saito, S; Miyake, T; Oshiyama, A

NEW JOURNAL OF PHYSICS 10 2008年08月05日

ISSN: 1367-2630

DOI
Coherent harmonic generation experiments on UVSOR-II storage ring

Labat, M; Lambert, G; Couprie, ME; Shimada, M; Katoh, M; Hosaka, M; Takashima, Y; Hara, T; Mochihas … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 593 ( 1-2 ) 1 - 5 2008年08月01日

ISSN: 0168-9002

DOI
High-energy, broadly tunable, narrow-bandwidth mid-infrared optical parametric system pumped by quasi-phase-matched devices

Saikawa, J; Miyazaki, M; Fujii, M; Ishizuki, H; Taira, T

OPTICS LETTERS 33 ( 15 ) 1699 - 1701 2008年08月01日

ISSN: 0146-9592

DOI
Quantum state reconstruction of a rotational wave packet created by a nonresonant intense femtosecond laser field

Hasegawa, H; Ohshima, Y

PHYSICAL REVIEW LETTERS 101 ( 5 ) 2008年08月01日

ISSN: 0031-9007

DOI
A viscosity-tunable polymer for DNA separation by microchip electrophoresis

Kuroda, D; Zhang, Y; Wang, J; Kaji, N; Tokeshi, M; Baba, Y

ANALYTICAL AND BIOANALYTICAL CHEMISTRY 391 ( 7 ) 2543 - 2549 2008年08月

ISSN: 1618-2642

DOI
Electronic inhomogeneity EuO: Possibility of magnetic polaron states

Kimura, S; Ito, T; Miyazaki, H; Mizuno, T; Iizuka, T; Takahashi, T

PHYSICAL REVIEW B 78 ( 5 ) 2008年08月

ISSN: 1098-0121

DOI
First-Principles Study on the Graphene Adatom and Its Aggregation

Hashi, T; Uramoto, Y; Saito, M

JAPANESE JOURNAL OF APPLIED PHYSICS 47 ( 8 ) 6623 - 6626 2008年08月

ISSN: 0021-4922

DOI
Highly efficient heterogeneous aqueous Kharasch reaction with an amphiphilic resin-supported ruthenium catalyst

Oe, Y; Uozumi, Y

ADVANCED SYNTHESIS & CATALYSIS 350 ( 11-12 ) 1771 - 1775 2008年08月

ISSN: 1615-4150

DOI
Incubation type Si-based planar ion channel biosensor

Urisu, T; Asano, T; Zhang, Z; Uno, H; Tero, R; Junkyu, H; Hiroko, I; Arima, Y; Iwata, H; Shibasaki, … 全著者表示

ANALYTICAL AND BIOANALYTICAL CHEMISTRY 391 ( 8 ) 2703 - 2709 2008年08月

ISSN: 1618-2642

DOI
On the role of hydrodynamic interactions in colloidal gelation

Yamamoto, R; Kim, K; Nakayama, Y; Miyazaki, K; Reichman, DR

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 8 ) 2008年08月

ISSN: 0031-9015

DOI
Simulating (electro) hydrodynamic effects in colloidal dispersions: Smoothed profile method

Nakayama, Y; Kim, K; Yamamoto, R

EUROPEAN PHYSICAL JOURNAL E 26 ( 4 ) 361 - 368 2008年08月

ISSN: 1292-8941

DOI
σ-bonding contribution of a strong π-acceptor molecule:: Surface chemical bond of SO2 on Ni(100)

Tokushima, T; Sodeyama, K; Harada, Y; Takata, Y; Nagasono, M; Kitajima, Y; Tamenori, Y; Ohashi, H; … 全著者表示

PHYSICAL REVIEW B 78 ( 8 ) 2008年08月

ISSN: 2469-9950

DOI
Effects of metal-ion complexation for the self-assembled nanocomposite films composed of gold nanoparticles and 3,8-bis(terthiophenyl)phenanthroline-based dithiols bridging 1 μm gap gold electrodes:: Morphology, temperature dependent electronic conduction, and photoresponse

Huang, W; Tanaka, H; Ogawa, T

JOURNAL OF PHYSICAL CHEMISTRY C 112 ( 30 ) 11513 - 11526 2008年07月31日

ISSN: 1932-7447

DOI
Optimal charge and charge response determination through conformational space: Global fitting scheme for representative charge and charge response kernel

Ishida, T

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 30 ) 7035 - 7046 2008年07月31日

ISSN: 1089-5639

DOI
Energy density analysis for second-order Moller-Plesset perturbation theory and coupled-cluster theory with singles and doubles:: Application to C2H4-CH4 complexes

Imamura, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 29 ( 10 ) 1555 - 1563 2008年07月30日

ISSN: 0192-8651

DOI
High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs

Tokushima, T; Harada, Y; Takahashi, O; Senba, Y; Ohashi, H; Pettersson, LGM; Nilsson, A; Shin, S

CHEMICAL PHYSICS LETTERS 460 ( 4-6 ) 387 - 400 2008年07月30日

ISSN: 0009-2614

DOI
Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations

Kobayashi, M; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 129 ( 4 ) 2008年07月28日

ISSN: 0021-9606

DOI
Decay channel dependence of the photoelectron angular distributions in core-level ionization of ne dimers

Yamazaki, M; Adachi, J; Kimura, Y; Yagishita, A; Stener, M; Decleva, P; Kosugi, N; Iwayama, H; Naga … 全著者表示

PHYSICAL REVIEW LETTERS 101 ( 4 ) 2008年07月25日

ISSN: 0031-9007

DOI
Amide I infrared spectral features characteristic of some untypical conformations appearing in the structures suggested for amyloids

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY B 112 ( 29 ) 8737 - 8743 2008年07月24日

ISSN: 1520-6106

DOI
Analysis of the unfolding process of green fluorescent protein by molecular dynamics simulation

Hisatomi, Y; Katagiri, D; Neya, S; Hara, M; Hoshino, T

JOURNAL OF PHYSICAL CHEMISTRY B 112 ( 29 ) 8672 - 8680 2008年07月24日

ISSN: 1520-6106

DOI
Basis set limit Hartree-Fock and density functional theory response property evaluation by multiresolution multiwavelet basis

Sekino, H; Maeda, Y; Yanai, T; Harrison, RJ

JOURNAL OF CHEMICAL PHYSICS 129 ( 3 ) 2008年07月21日

ISSN: 0021-9606

DOI
A novel dynamic exciton expression based on the ab initio MO CI based quantum master equation approach

Nakano, M; Kishi, R; Minami, T; Fukui, H; Nagai, H; Yoneda, K; Takahashi, H

CHEMICAL PHYSICS LETTERS 460 ( 1-3 ) 370 - 374 2008年07月20日

ISSN: 0009-2614

DOI
Determination of active sites based on unified analysis of potential energy profile in chemical reaction: Application to C-H activation of methane by Ti(IV)-imido complex

Nakai, H; Suzuki, J; Kikuchi, Y

CHEMICAL PHYSICS LETTERS 460 ( 1-3 ) 347 - 351 2008年07月20日

ISSN: 0009-2614

DOI
Discovery of hexacoordinate hypervalent carbon compounds: Density functional study

Kikuchi, Y; Ishii, M; Akiba, K; Nakai, H

CHEMICAL PHYSICS LETTERS 460 ( 1-3 ) 37 - 41 2008年07月20日

ISSN: 0009-2614

DOI
Size distribution of gold nanoparticles covered with thiol-terminated cyanobiphenyl-type liquid crystal molecules studied with small-angle X-ray scattering and TEM

Hino, K; Shingai, R; Morita, T; Toku, K; Hirano, T; Yoshikawa, H; Nakano, H; Nishi, N

CHEMICAL PHYSICS LETTERS 460 ( 1-3 ) 173 - 177 2008年07月20日

ISSN: 0009-2614

DOI
The morphology of GM1x/SM0.6-x/Chol0.4 planar bilayers supported on SiO2 surfaces

Mao, Y; Tero, R; Imai, Y; Hoshino, T; Urisu, T

CHEMICAL PHYSICS LETTERS 460 ( 1-3 ) 289 - 294 2008年07月20日

ISSN: 0009-2614

DOI
Chemical understanding of a non-IPR metallofullerene:: Stabilization of encaged metals on fused-pentagon bonds in La2@C72

Lu, X; Nikawa, H; Nakahodo, T; Tsuchiya, T; Ishitsuka, MO; Maeda, Y; Akasaka, T; Toki, M; Sawa, H; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 28 ) 9129 - 9136 2008年07月16日

ISSN: 0002-7863

DOI
Optical evidence for a change in the heavy electron Fermi surface at a magnetic quantum critical point of CeNi1-xCoxGe2

Lee, KE; Lee, CI; Oh, HJ; Im, HJ; Park, T; Kimura, S; Kwon, YS

JOURNAL OF PHYSICS-CONDENSED MATTER 20 ( 28 ) 2008年07月16日

ISSN: 0953-8984

DOI
High efficiency and high energy parametric wavelength conversion using a large aperture periodically poled MgO:LiNbO3

Bhushan, R; Yoshida, H; Tsubakimoto, K; Fujita, H; Nakatsuka, M; Miyanaga, N; Izawa, Y; Ishizuki, H … 全著者表示

OPTICS COMMUNICATIONS 281 ( 14 ) 3902 - 3905 2008年07月15日

ISSN: 0030-4018

DOI
Auger decays of 1s shake-up and shake-off states in N2 molecules

Kaneyasu, T; Hikosaka, Y; Shigemasa, E; Lablanquie, P; Penent, F; Ito, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 41 ( 13 ) 2008年07月14日

ISSN: 0953-4075

DOI
Asymmetric synthesis of a chiral buckybowl, trimethylsumanene

Higashibayashi, S; Sakurai, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 27 ) 8592 - + 2008年07月09日

ISSN: 0002-7863

DOI
Ubiquitous 8 and 29 kDa gold: Alkanethiolate cluster compounds: Mass-spectrometric determination of molecular formulas and structural implications

Chaki, NK; Negishi, Y; Tsunoyama, H; Shichibu, Y; Tsukuda, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 27 ) 8608 - + 2008年07月09日

ISSN: 0002-7863

DOI
Crystal structure of boryllithium with two THF molecules and DFT analysis of its property as a boryl anion

Yamashita, M; Suzuki, Y; Segawa, Y; Nozaki, K

CHEMISTRY LETTERS 37 ( 7 ) 802 - 803 2008年07月05日

ISSN: 0366-7022

DOI
Organocatalytic enantioselective Diels-Alder reaction of dienes with α-(N,N-diacylamino)acroleins

Ishihara, K; Nakano, K; Akakura, M

ORGANIC LETTERS 10 ( 13 ) 2893 - 2896 2008年07月03日

ISSN: 1523-7060

DOI
Short-time maximum entropy method analysis of molecular dynamics simulation: Unimolecular decomposition of formic acid

Takahashi, O; Nomura, T; Tabayashi, K; Yamasaki, K

CHEMICAL PHYSICS 351 ( 1-3 ) 7 - 12 2008年07月03日

ISSN: 0301-0104

DOI
Characterization of high nitrogen content-amorphous carbon nitride films using NEXAFS spectroscopy

Kanda, K; Igaki, JY; Kometani, R; Matsui, S; Ito, H

DIAMOND AND RELATED MATERIALS 17 ( 7-10 ) 1755 - 1758 2008年07月

ISSN: 0925-9635

DOI
Coexistence of distinct charge fluctuations in θ-(BEDT-TTF)2X

Nishimoto, S; Shingai, M; Ohta, Y

PHYSICAL REVIEW B 78 ( 3 ) 2008年07月

ISSN: 2469-9950

DOI
Dynamical foundation and limitations of statistical reaction theory

Shojiguchi, A; Li, CB; Komatsuzaki, T; Toda, M

COMMUNICATIONS IN NONLINEAR SCIENCE AND NUMERICAL SIMULATION 13 ( 5 ) 857 - 867 2008年07月

ISSN: 1007-5704

DOI
Magnetic circular dichroism for surface and thin film magnetism: Measurement techniques and surface chemical applications

Yokoyama, T; Nakagawa, T; Takagi, Y

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY 27 ( 3 ) 449 - 505 2008年07月

ISSN: 0144-235X

DOI
Molecular theory of mass transfer kinetics and dynamics at gas-water interface

Morita, A; Garrett, BC

FLUID DYNAMICS RESEARCH 40 ( 7-8 ) 459 - 473 2008年07月

ISSN: 0169-5983

DOI
Natural bond orbital-based energy density analysis for correlated methods: Second-order Moller-Plesset perturbation and coupled-cluster singles and doubles

Imamura, Y; Baba, T; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 8 ) 1316 - 1325 2008年07月

ISSN: 0020-7608

DOI
Near-field optical imaging of nanoscale optical fields and plasmon waves

Okamoto, H; Imura, K

JAPANESE JOURNAL OF APPLIED PHYSICS 47 ( 7 ) 6055 - 6062 2008年07月

ISSN: 0021-4922

DOI
Polaronic states with spin-charge-coupled excitation in a one-dimensional dimerized Mott insulator K-TCNQ

Maeshima, N; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 7 ) 2008年07月

ISSN: 0031-9015

DOI
Strong optical nonlinearity and its ultrafast response associated with electron ferroelectricity in an organic conductor

Yamamoto, K; Iwai, S; Boyko, S; Kashiwazaki, A; Hiramatsu, F; Okabe, C; Nishi, N; Yakushi, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 7 ) 2008年07月

ISSN: 0031-9015

DOI
Structural changes of silica particles in elongated rubber by two-dimensional small-angle X-ray scattering and extended reverse Monte Carlo analysis

Hagita, K; Arai, T; Kishimoto, H; Umesaki, N; Suno, H; Shinohara, Y; Amemiya, Y

RHEOLOGICA ACTA 47 ( 5-6 ) 537 - 541 2008年07月

ISSN: 0035-4511

DOI
Structures of the chromophore binding sites in BLUF domains as studied by molecular dynamics and quantum chemical calculations

Obanayama, K; Kobayashi, H; Fukushima, K; Sakurai, M

PHOTOCHEMISTRY AND PHOTOBIOLOGY 84 ( 4 ) 1003 - 1010 2008年07月

ISSN: 0031-8655

DOI
Vacuum ultraviolet optical properties of a micropulling-down-method grown Nd3+:(La0.9,Ba0.1)F2.9

Cadatal, M; Furukawa, Y; Seo, YS; Ono, S; Estacio, E; Murakami, H; Fujimoto, Y; Sarukura, N; Nakats … 全著者表示

JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS 25 ( 7 ) B27 - B31 2008年07月

ISSN: 0740-3224

DOI
Core molecule dependence of energy migration in phenylacetylene nanostar dendrimers:: Ab initio molecular orbital-configuration interaction based quantum master equation study

Kishi, R; Minami, T; Fukui, H; Takahashi, H; Nakano, M

JOURNAL OF CHEMICAL PHYSICS 128 ( 24 ) 2008年06月28日

ISSN: 0021-9606

DOI
Theoretical investigation of the hetero-junction effect in PVP-stabilized Au13 clusters.: The role of PVP in their catalytic activities

Okumura, M; Kitagawa, Y; Kawakami, T; Haruta, M

CHEMICAL PHYSICS LETTERS 459 ( 1-6 ) 133 - 136 2008年06月27日

ISSN: 0009-2614

DOI
Influence of ions on the structural organization of dipolar liquids probed by the noncoincidence effect: Experimental and quantum chemical results

Giorgini, MG; Torii, H; Musso, M; Venditti, G

JOURNAL OF PHYSICAL CHEMISTRY B 112 ( 25 ) 7506 - 7514 2008年06月26日

ISSN: 1520-6106

DOI
X-ray excited 3.2 eV luminescence from amorphous silica: radiative electron relaxation through an unidentified centre and its thermal switching

Ishii, M; Yoshida, T; Sakurai, K

JOURNAL OF PHYSICS-CONDENSED MATTER 20 ( 25 ) 2008年06月25日

ISSN: 0953-8984

DOI
Nucleophilic substitution at an sp2 carbon of vinyl halides with an intramolecular thiolate moiety:: synthesis of 2-alkylidenethietanes

Lei, MY; Fukarnizu, K; Xiao, YJ; Liu, WM; Twiddy, S; Chiba, S; Ando, K; Narasaka, K

TETRAHEDRON LETTERS 49 ( 26 ) 4125 - 4129 2008年06月23日

ISSN: 0040-4039

DOI
Comment on "Isotope and Temperature Effects in Liquid Water Probed by X-ray Absorption and Resonant X-ray Emission Spectroscopy"

Pettersson, LGM; Tokushima, T; Harada, Y; Takahashi, O; Shin, S; Nilsson, A

PHYSICAL REVIEW LETTERS 100 ( 24 ) 2008年06月20日

ISSN: 0031-9007

DOI
π-allylic sulfonylation in water with amphiphilic resin-supported palladium-phosphine complexes

Uozumi, Y; Suzuka, T

SYNTHESIS-STUTTGART ( 12 ) 1960 - 1964 2008年06月17日

ISSN: 0039-7881

DOI
Calculations of photoionization cross-sections with variationally optimized complex Gaussian-type basis functions

Morita, M; Yabushita, S

CHEMICAL PHYSICS 349 ( 1-3 ) 126 - 132 2008年06月16日

ISSN: 0301-0104

DOI
Electrical properties and electronic states of molecular conductors based on unsymmetrical organometallic-dithiolene gold(III) complexes

Kubo, K; Nakao, A; Ishii, Y; Yamamoto, T; Tamura, M; Kato, R; Yakushi, K; Matsubayashi, GE

INORGANIC CHEMISTRY 47 ( 12 ) 5495 - 5502 2008年06月16日

ISSN: 0020-1669

DOI
Development of novel near-field microspectroscopy and imaging of local excitations and wave functions of nanomaterials

Imura, K; Okamoto, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 81 ( 6 ) 659 - 675 2008年06月15日

ISSN: 0009-2673

DOI
Allylic substitution of meso-1,4-diacetoxycycloalkenes in water with an amphiphilic resin-supported chiral palladium complex

Uozumi, Y; Takenaka, H; Suzuka, T

SYNLETT ( 10 ) 1557 - 1561 2008年06月13日

ISSN: 0936-5214

DOI
Adsorption-induced intramolecular dipole: Correlating molecular conformation and interface electronic structure

Koch, N; Gerlach, A; Duhm, S; Glowatzki, H; Heimel, G; Vollmer, A; Sakamoto, Y; Suzuki, T; Zegenhag … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 23 ) 7300 - 7304 2008年06月11日

ISSN: 0002-7863

DOI
Origin of the axial-alkyl preference of (R)-α-phellandrene and related compounds investigated by high-level ab initio MO calculations.: Importance of the CH/π hydrogen bond

Takahashi, O; Yamasaki, K; Kohno, Y; Ueda, K; Suezawa, H; Nishio, M

TETRAHEDRON 64 ( 24 ) 5773 - 5778 2008年06月09日

ISSN: 0040-4020

DOI
The expression of sialylated high-antennary N-glyeans in edible bird's nest

Yagi, H; Yasukawa, N; Yu, SY; Guo, CT; Takahashi, N; Takahashi, T; Bukawa, W; Suzuki, T; Khoo, KH; … 全著者表示

CARBOHYDRATE RESEARCH 343 ( 8 ) 1373 - 1377 2008年06月09日

ISSN: 0008-6215

DOI
Electron-vibration interactions in carrier-transport material: Vibronic coupling density analysis in TPD

Sato, T; Shizu, K; Kuga, T; Tanaka, K; Kaji, H

CHEMICAL PHYSICS LETTERS 458 ( 1-3 ) 152 - 156 2008年06月06日

ISSN: 0009-2614

DOI
Electron dynamics in charge-transfer-to-solvent states of aqueous chloride revealed by Cl- 2p resonant Auger-electron spectroscopy

Winter, B; Aziz, EF; Ottosson, N; Faubel, M; Kosugi, N; Hertel, IV

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 22 ) 7130 - 7138 2008年06月04日

ISSN: 0002-7863

DOI
Magnetization process of Co/Pd(111) thin films: Chemisorption-induced spin-reorientation transition

Matsumura, D; Nakagawa, T; Watanabe, H; Abe, H; Arnemiya, K; Ohta, T; Yokoyama, T

SURFACE SCIENCE 602 ( 11 ) 1999 - 2003 2008年06月01日

ISSN: 0039-6028

DOI
1,4-bis[(2,6-dimethoxyphenyl)ethynyl]-benzene

Ono, K; Tsukamoto, K; Tomura, M; Saito, K

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 64 O1069 - U2113 2008年06月

ISSN: 1600-5368

DOI
Ab initio-based approach to initial growth processes on GaAs(111)B-(2x2) surfaces:: Self-surfactant effect of Ga adatoms revisited

Tatematsu, H; Sano, K; Akiyama, T; Nakamura, K; Ito, T

PHYSICAL REVIEW B 77 ( 23 ) 2008年06月

ISSN: 2469-9950

DOI
An insight into the general relationship between the three dimensional structures of enzymes and their electronic wave functions: Implication for the prediction of functional sites of enzymes

Fukushima, K; Wada, M; Sakurai, M

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 71 ( 4 ) 1940 - 1954 2008年06月

ISSN: 0887-3585

DOI
Band-gap tuning in magnetic graphene nanoribbons

Sawada, K; Ishii, F; Saito, M

APPLIED PHYSICS EXPRESS 1 ( 6 ) 2008年06月

ISSN: 1882-0778

DOI
Development of ultrahigh-precision coherent control and its applications

Ohmori, K

PROCEEDINGS OF THE JAPAN ACADEMY SERIES B-PHYSICAL AND BIOLOGICAL SCIENCES 84 ( 6 ) 167 - 175 2008年06月

ISSN: 0386-2208

DOI
Development of ultrahigh-precision coherent control and its applications

Ohmo, K

PROCEEDINGS OF THE JAPAN ACADEMY SERIES A-MATHEMATICAL SCIENCES 84 ( 6 ) 167 - 175 2008年06月

ISSN: 0386-2194

DOI
Highly sensitive double-fluorescent dye staining method on microchip electrophoresis for analysis of milk proteins

Okada, H; Kaji, N; Tokeshi, M; Baba, Y

ELECTROPHORESIS 29 ( 12 ) 2533 - 2538 2008年06月

ISSN: 0173-0835

DOI
Nanoscale elemental identification by synchrotron-radiation-based scanning tunneling microscopy

Saito, A; Takagi, Y; Takahashi, K; Hosokawa, H; Hanai, K; Tanaka, T; Akai-Kasaya, M; Tanaka, Y; Shi … 全著者表示

SURFACE AND INTERFACE ANALYSIS 40 ( 6-7 ) 1033 - 1036 2008年06月

ISSN: 0142-2421

DOI
Structural and molecular basis for hyperspecificity of RNA aptamer to human immunoglobulin G

Miyakawa, S; Nomura, Y; Sakamoto, T; Yamaguchi, Y; Kato, K; Yamazaki, S; Nakamura, Y

RNA 14 ( 6 ) 1154 - 1163 2008年06月

ISSN: 1355-8382

DOI
Structure, morphology, and growth dynamics of perfluoro-pentacene thin films

Kowarik, S; Gerlach, A; Hinderhofer, A; Milita, S; Borgatti, F; Zontone, F; Suzuki, T; Biscarini, F … 全著者表示

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS 2 ( 3 ) 120 - 122 2008年06月

ISSN: 1862-6254

DOI
Superconductivity in a model of two Hubbard chains coupled with ferromagnetic exchange interaction

Shirakawa, T; Nishimoto, S; Ohta, Y

PHYSICAL REVIEW B 77 ( 22 ) 2008年06月

ISSN: 1098-0121

DOI
The 4d-4f dipole resonance of the Pr atom in an endohedral metallofullerene, Pr@C82

Katayanagi, H; Kafle, BP; Kou, J; Mori, T; Mitsuke, K; Takabayashi, Y; Kuwahara, E; Kubozono, Y

JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER 109 ( 9 ) 1590 - 1598 2008年06月

ISSN: 0022-4073

DOI
Rinse and evaporation coating of poly(methyl methacrylate) microchip for separation of sodium dodecyl sulfate-protein complex

Okada, H; Kaji, N; Tokeshi, M; Baba, Y

JOURNAL OF CHROMATOGRAPHY A 1192 ( 2 ) 289 - 293 2008年05月30日

ISSN: 0021-9673

DOI
Evidence of the chemical uniaxial strain effect on electrical conductivity in the spin-crossover conducting molecular system:: [FeIII(qnal)2][Pd(dmit)2]5•Acetone

Takahashi, K; Cui, HB; Okano, Y; Kobayashi, H; Mori, H; Tajima, H; Einaga, Y; Sato, O

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 21 ) 6688 - + 2008年05月28日

ISSN: 0002-7863

DOI
Quasi-diabatic decoupling of Born-Oppenheimer potential energy curves for adsorbate-metal surface systems

Yasuike, T; Nobusada, K

CHEMICAL PHYSICS LETTERS 457 ( 1-3 ) 241 - 245 2008年05月20日

ISSN: 0009-2614

DOI
Thermally induced double proton transfer in GG and wobble GT base pairs: A possible origin of the mutagenic guanine

Padermshoke, A; Katsumoto, Y; Masaki, R; Aida, M

CHEMICAL PHYSICS LETTERS 457 ( 1-3 ) 232 - 236 2008年05月20日

ISSN: 0009-2614

DOI
Comparison of DNA hydration patterns obtained using two distinct computational methods, molecular dynamics simulation and three-dimensional reference interaction site model theory

Yonetani, Y; Maruyama, Y; Hirata, F; Kono, H

JOURNAL OF CHEMICAL PHYSICS 128 ( 18 ) 2008年05月14日

ISSN: 0021-9606

DOI
Effect of a tridentate ligand on the structure, electronic structure, and reactivity of the copper(I) nitrite complex: Role of the conserved three-histidine ligand environment of the type-2 copper site in copper-containing nitrite reductases

Kujime, M; Izumi, C; Tomura, M; Hada, M; Fujii, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 19 ) 6088 - 6098 2008年05月14日

ISSN: 0002-7863

DOI
Molecular dynamics simulation study on stabilities and reactivities of NADH cytochrome B5 reductase

Asada, T; Nagase, S; Nishimoto, K; Koseki, S

JOURNAL OF PHYSICAL CHEMISTRY B 112 ( 18 ) 5718 - 5727 2008年05月08日

ISSN: 1520-6106

DOI
Computation of the reduction free energy of coenzyme in aqueous solution by the QM/MM-ER method

Takahashi, H; Ohno, H; Kishi, R; Nakano, M; Matubayasi, N

CHEMICAL PHYSICS LETTERS 456 ( 4-6 ) 176 - 180 2008年05月05日

ISSN: 0009-2614

DOI
Direct observation of dispersive Kondo resonance peaks in a heavy-fermion system

Im, HJ; Ito, T; Kim, HD; Kimura, S; Lee, KE; Hong, JB; Kwon, YS; Yasui, A; Yamagami, H

PHYSICAL REVIEW LETTERS 100 ( 17 ) 2008年05月02日

ISSN: 0031-9007

DOI
Direct conformational analysis of a 10 nm long oligothiophene wire

Nishiyama, F; Ogawa, K; Tanaka, S; Yokoyama, T

JOURNAL OF PHYSICAL CHEMISTRY B 112 ( 17 ) 5272 - 5275 2008年05月01日

ISSN: 1520-6106

DOI
Quantum calculation of ro-vibrational states: Methodology and DOCl application results

Zhang, H; Hankel, M; Smith, SC; Nanbu, S; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 17 ) 4141 - 4147 2008年05月01日

ISSN: 1089-5639

DOI
Theoretical investigation of the magnetic interactions of Ni9 complexes

Shoji, M; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M; Yamaguchi, K

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 17 ) 4020 - 4028 2008年05月01日

ISSN: 1089-5639

DOI
Transmission of terahertz radiation using a microstructured polymer optical fiber

Ponseca, CS; Pobre, R; Estacio, E; Sarukura, N; Argyros, A; Large, MCJ; van Eijkelenborg, MA

OPTICS LETTERS 33 ( 9 ) 902 - 904 2008年05月01日

ISSN: 0146-9592

DOI
30 fs infrared spectroscopy of photo-induced phase transition in 1/4 filling organic salt

Nakaya, H; Hiramatsu, F; Kawakami, Y; Iwai, S; Yamamoto, K; Yakushi, K

JOURNAL OF LUMINESCENCE 128 ( 5-6 ) 1065 - 1068 2008年05月

ISSN: 0022-2313

DOI
A new beamline for infrared microscopy in the SR center of Ritsumeikan University

Yaji, T; Yamamoto, Y; Ohta, T; Kimura, S

INFRARED PHYSICS & TECHNOLOGY 51 ( 5 ) 397 - 399 2008年05月

ISSN: 1350-4495

DOI
Accurate Evaluation Method of Molecular Binding Affinity from Fluctuation Frequency

Hoshino, T; Iwamoto, K; Ode, H; Ohdomari, I

JAPANESE JOURNAL OF APPLIED PHYSICS 47 ( 5 ) 3719 - 3725 2008年05月

ISSN: 0021-4922

DOI
An intense terahertz radiation source at the Compact ERL

Harada, K; Shimada, M; Hajima, R

INFRARED PHYSICS & TECHNOLOGY 51 ( 5 ) 386 - 389 2008年05月

ISSN: 1350-4495

DOI
Criteria for pericyclic and pseudopericyclic character of electrocyclization of (Z)-1,2,4,6-heptatetraene and (2Z)-2,4,5-hexatriene-1-imine

Sakai, S

THEORETICAL CHEMISTRY ACCOUNTS 120 ( 1-3 ) 177 - 183 2008年05月

ISSN: 1432-881X

DOI
Dramatic change of optical properties at a quantum critical point in the heavy fermion system CeNi1-xCoxGe2

Song, YY; Lee, KE; Hong, JB; Im, HJ; Kimura, S; Kwon, YS

INFRARED PHYSICS & TECHNOLOGY 51 ( 5 ) 485 - 487 2008年05月

ISSN: 1350-4495

DOI
Far-infrared and millimeter wave spectroscopy of superionic copper conductors

Awano, T

INFRARED PHYSICS & TECHNOLOGY 51 ( 5 ) 458 - 462 2008年05月

ISSN: 1350-4495

DOI
High spin/low spin phase transitions of a spin-crossover complex in the emulsion polymerization of trifluoroethylmethacrylate (TFEMA) using PVA as a protective colloid

Suzuki, A; Fujiwara, M; Nishijima, M

COLLOID AND POLYMER SCIENCE 286 ( 5 ) 525 - 534 2008年05月

ISSN: 0303-402X

DOI
Hybridization gap-open in CeIn3

Lee, CI; Lee, KE; Song, YY; Im, HJ; Kimura, S; Kwon, YS

INFRARED PHYSICS & TECHNOLOGY 51 ( 5 ) 488 - 490 2008年05月

ISSN: 1350-4495

DOI
Intermolecular band dispersion in highly ordered monolayer and multilayer films of pentacene on Cu(110)

Yamane, H; Kawabe, E; Yoshimura, D; Sumii, R; Kanai, K; Ouchi, Y; Ueno, N; Seki, K

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 245 ( 5 ) 793 - 798 2008年05月

ISSN: 0370-1972

DOI
NMR evidence for antiferromagnetic transition in the single-component molecular conductor, [Au(tmdt)2] at 110K

Hara, Y; Miyagawa, K; Kanoda, K; Shimamura, M; Zhou, B; Kobayashi, A; Kobayashi, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 5 ) 2008年05月

ISSN: 0031-9015

DOI
Temperature dependence of infrared reflectance spectra of InN

Kurihara, K; Yanagawa, T; Nakagawa, N; Fukui, K; Yamamoto, A

INFRARED PHYSICS & TECHNOLOGY 51 ( 5 ) 482 - 484 2008年05月

ISSN: 1350-4495

DOI
Topological validation of morphology modeling by extended reverse Monte Carlo analysis

Hagita, K; Teramoto, T

PHYSICAL REVIEW E 77 ( 5 ) 2008年05月

ISSN: 1539-3755

DOI
Tris[2-(deuteriomethylsulfanyl)phenyl]-phosphine deuteriochloroform 0.125-solvate

Wong, RCS; Ooi, ML; Sakurai, H; Ng, SW

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 64 O898 - U2454 2008年05月

ISSN: 1600-5368

DOI
Tunable narrowband terahertz emission from mastered laser-electron beam interaction

Bielawski, S; Evain, C; Hara, T; Hosaka, M; Katoh, M; Kimura, S; Mochihashi, A; Shimada, M; Szwaj, … 全著者表示

NATURE PHYSICS 4 ( 5 ) 390 - 393 2008年05月

ISSN: 1745-2473

DOI
Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution

Miyata, T; Hirata, F

JOURNAL OF COMPUTATIONAL CHEMISTRY 29 ( 6 ) 871 - 882 2008年04月30日

ISSN: 0192-8651

DOI
A mechanism for the palladium-catalyzed regioselective silaboration of allene: A theoretical study

Abe, Y; Kuramoto, K; Ehara, M; Nakatsuji, H; Suginome, M; Murakami, M; Ito, Y

ORGANOMETALLICS 27 ( 8 ) 1736 - 1742 2008年04月28日

ISSN: 0276-7333

DOI
Phonon polariton of InN observed by infrared synchrotron radiation

Inushima, T; Fukui, K; Lu, H; Schaff, WJ

APPLIED PHYSICS LETTERS 92 ( 17 ) 2008年04月28日

ISSN: 0003-6951

DOI
Theoretical studies on the structure and effective exchange integral (Jab) of an active site in oxyhemocyanin (oxyHc) by using approximately spin-projected geometry optimization (AP-opt) method

Saito, T; Kitagawa, Y; Shoji, M; Nakanishi, Y; Ito, M; Kawakami, T; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 456 ( 1-3 ) 76 - 79 2008年04月21日

ISSN: 0009-2614

DOI
Ultrafast intermolecular dynamics of liquid water: A theoretical study on two-dimensional infrared spectroscopy

Yagasaki, T; Saito, S

JOURNAL OF CHEMICAL PHYSICS 128 ( 15 ) 2008年04月21日

ISSN: 0021-9606

DOI
Colle-Salvetti-type correction for electron-nucleus correlation in the nuclear orbital plus molecular orbital theory

Imamura, Y; Kiryu, H; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 29 ( 5 ) 735 - 740 2008年04月15日

ISSN: 0192-8651

DOI
Cage and tube structures of medium-sized zinc oxide clusters (ZnO)n (n=24, 28, 36, and 48)

Wang, BL; Wang, XQ; Chen, GB; Nagase, SG; Zhao, JJ

JOURNAL OF CHEMICAL PHYSICS 128 ( 14 ) 2008年04月14日

ISSN: 0021-9606

DOI
Control of chromophore-to-bath coupling by interferometry:: Cl2 vibrational wave packets in solid Ar

Fushitani, M; Bargheer, M; Gühr, M; Ibrahim, H; Schwentner, N

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 41 ( 7 ) 2008年04月14日

ISSN: 0953-4075

DOI
Orbital optimization in the density matrix renormalization group, with applications to polyenes and ß-carotene

Ghosh, D; Hachmann, J; Yanai, T; Chan, GKL

JOURNAL OF CHEMICAL PHYSICS 128 ( 14 ) 2008年04月14日

ISSN: 0021-9606

DOI
Planar-type spin valves based on low-molecular-weight organic materials with La0.67Sr0.33MnO3 electrodes

Ikegami, T; Kawayama, I; Tonouchi, M; Nakao, S; Yamashita, Y; Tada, H

APPLIED PHYSICS LETTERS 92 ( 15 ) 2008年04月14日

ISSN: 0003-6951

DOI
Angle-resolved photoemission study on EuO thin films

Miyazaki, H; Ito, T; Ota, S; Im, HJ; Yagi, S; Kato, M; Soda, K; Kimura, SI

PHYSICA B-CONDENSED MATTER 403 ( 5-9 ) 917 - 918 2008年04月01日

ISSN: 0921-4526

DOI
Electronic state of PrFe4P12 under high pressure probed by infrared spectroscopy

Irizawa, A; Sato, K; Kobayashi, M; Shimai, K; Murakami, T; Okamura, H; Nanba, T; Matsunami, M; Suga … 全著者表示

PHYSICA B-CONDENSED MATTER 403 ( 5-9 ) 948 - 949 2008年04月01日

ISSN: 0921-4526

DOI
Infrared study on the electronic structure of SmS in the black phase

Kimura, SI; Mizuno, T; Matsubayashi, K; Imura, K; Suzuki, HS; Sato, NK

PHYSICA B-CONDENSED MATTER 403 ( 5-9 ) 805 - 807 2008年04月01日

ISSN: 0921-4526

DOI
Optical properties of YbRh2Si2 and YbIr2Si2:: A comparison

Sichelschmidt, J; Kimura, S; Krellner, C; Geibel, C; Steglich, F

PHYSICA B-CONDENSED MATTER 403 ( 5-9 ) 775 - 777 2008年04月01日

ISSN: 0921-4526

DOI
Rolling circle amplification and circle-to-circle amplification of a specific gene integrated with electrophoretic analysis on a single chip

Mahmoudian, L; Kaji, N; Tokeshi, M; Nilsson, M; Baba, Y

ANALYTICAL CHEMISTRY 80 ( 7 ) 2483 - 2490 2008年04月01日

ISSN: 0003-2700

DOI
Ultraviolet photoemission study of lithium nickel oxide: A contact of valence-band structure and selective oxidation

Miyazaki, T; Yoshimura, D; Okudaira, K

APPLIED CATALYSIS A-GENERAL 338 ( 1-2 ) 79 - 82 2008年04月01日

ISSN: 0926-860X

DOI
Analysis of uniaxial alignment behavior of nonmagnetic materials under static magnetic field with sample rotation

Akiyama, J; Asano, H; Iwai, K; Asai, S

MATERIALS TRANSACTIONS 49 ( 4 ) 787 - 791 2008年04月

ISSN: 1345-9678

DOI
Atomic and electronic structure of divacancies in carbon nanotubes

Berber, S; Oshiyama, A

PHYSICAL REVIEW B 77 ( 16 ) 2008年04月

ISSN: 1098-0121

DOI
Electrical conductance of oligothiophene molecular wires

Yamada, R; Kumazawa, H; Noutoshi, T; Tanaka, S; Tada, H

NANO LETTERS 8 ( 4 ) 1237 - 1240 2008年04月

ISSN: 1530-6984

DOI
Enhancements of spin and orbital magnetic moments of submonolayer Co on Cu(001) studied by X-ray magnetic circular dichroism using superconducting magnet and liquid he cryostat

Nakagawa, T; Takagi, Y; Matsumoto, Y; Yokoyama, T

JAPANESE JOURNAL OF APPLIED PHYSICS 47 ( 4 ) 2132 - 2136 2008年04月

ISSN: 0021-4922

DOI
Optical anisotropy and electronic structures of CdMoO4 and CdWO4 crystals:: Polarized reflection measurements, x-ray photoelectron spectroscopy, and electronic structure calculations

Fujita, M; Itoh, M; Katagiri, T; Iri, D; Kitaura, M; Mikhailik, VB

PHYSICAL REVIEW B 77 ( 15 ) 2008年04月

ISSN: 2469-9950

DOI
Resonant double Auger decay in carbon K-shell excitation of CO

Journel, L; Guillemin, R; Haouas, A; Lablanquie, P; Penent, F; Palaudoux, J; Andric, L; Simon, M; C … 全著者表示

PHYSICAL REVIEW A 77 ( 4 ) 2008年04月

ISSN: 1050-2947

DOI
Semiclassical guided optimal control of molecular processes of many degrees of freedom

Kondorskiy, A; Nakamura, H

PHYSICAL REVIEW A 77 ( 4 ) 2008年04月

ISSN: 1050-2947

DOI
The first detection of photomodulation by both DC and in-phase AC susceptibility for organic/inorganic hybrid materials containing cyano-bridged Gd-Cr complex and azobenzene

Akitsu, T; Nishijo, J

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 320 ( 8 ) 1586 - 1590 2008年04月

ISSN: 0304-8853

DOI
Theoretical study of the electronic states of hollandite vanadate K2V8O16

Horiuchi, S; Shirakawa, T; Ohta, Y

PHYSICAL REVIEW B 77 ( 15 ) 2008年04月

ISSN: 2469-9950

DOI
Two-component density functional calculations of positron lifetimes for band-gap crystals

Nakamoto, A; Saito, M; Yamasaki, T; Okamoto, M; Hamada, T; Ohno, T

JAPANESE JOURNAL OF APPLIED PHYSICS 47 ( 4 ) 2213 - 2216 2008年04月

ISSN: 0021-4922

DOI
Ultrahigh-resolution vacuum ultraviolet light source system for extremely low energy photoelectron spectroscopy

Funabashi, G; Fuilwara, H; Sekiyama, A; Hasumoto, M; Ito, T; Kimura, SI; Baltzer, P; Suga, S

JAPANESE JOURNAL OF APPLIED PHYSICS 47 ( 4 ) 2265 - 2269 2008年04月

ISSN: 0021-4922

DOI
Synthesis of selenylfullerene with selenium-containing dibenzo[b,g]cyclooctane moiety

Nakahodo, T; Takahashi, K; Ishitsuka, MO; Tsuchiya, T; Maeda, Y; Fujihara, H; Nagase, S; Akasaka, T

TETRAHEDRON LETTERS 49 ( 14 ) 2302 - 2305 2008年03月31日

ISSN: 0040-4039

DOI
Hydrogen bonding in methanol clusters probed by inner-shell photoabsorption spectroscopy in the carbon and oxygen K-edge regions

Tamenori, Y; Okada, K; Takahashi, O; Arakawa, S; Tabayashi, K; Hiraya, A; Gejo, T; Honma, K

JOURNAL OF CHEMICAL PHYSICS 128 ( 12 ) 2008年03月28日

ISSN: 0021-9606

DOI
Electrical resistivity of tetramethyltetratelluronaphtalene crystal at very high pressures -: Examination of the condition of metallization of π molecular crystal

Cui, H; Okano, Y; Zhou, B; Kobayashi, A; Kobayashi, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 12 ) 3738 - + 2008年03月26日

ISSN: 0002-7863

DOI
Optical band gap modification of single-walled carbon nanotubes by encapsulated fullerenes

Okazaki, T; Okubo, S; Nakanishi, T; Joung, SK; Saito, T; Otani, M; Okada, S; Bandow, S; Iijima, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 12 ) 4122 - 4128 2008年03月26日

ISSN: 0002-7863

DOI
Core localization and σ* delocalization in the O 1s core-excited sulfur dioxide molecule

Lindgren, A; Kosugi, N; Gisselbrecht, M; Kivimaki, A; Burmeister, F; de Brito, AN; Sorensen, SL

JOURNAL OF CHEMICAL PHYSICS 128 ( 11 ) 2008年03月21日

ISSN: 0021-9606

DOI
Near-field study on correlation of localized electric field and nanostructures in monolayer assembly of gold nanoparticles

Shimada, T; Imura, K; Hossain, MK; Okamoto, H; Kitajima, M

JOURNAL OF PHYSICAL CHEMISTRY C 112 ( 11 ) 4033 - 4035 2008年03月20日

ISSN: 1932-7447

DOI
Nonadiabatic rotational excitation of benzene by nonresonant intense femtosecond laser fields

Hasegawa, H; Ohshima, Y

CHEMICAL PHYSICS LETTERS 454 ( 4-6 ) 148 - 152 2008年03月20日

ISSN: 0009-2614

DOI
Theoretical study on the spin states and intra-cluster spin relaxation of the one-dimensional metal-benzene sandwich clusters:: M2(C6H6)3 (M = Sc, Ti, V)

Goto, A; Yabushita, S

CHEMICAL PHYSICS LETTERS 454 ( 4-6 ) 382 - 386 2008年03月20日

ISSN: 0009-2614

DOI
Water oxidation by a ruthenium complex with noninnocent quinone ligands: Possible formation of an O-O bond at a low oxidation state of the metal

Muckerman, JT; Polyansky, DE; Wada, T; Tanaka, K; Fujita, E

INORGANIC CHEMISTRY 47 ( 6 ) 1787 - 1802 2008年03月17日

ISSN: 0020-1669

DOI
Complex formation between a nucleobase and tetracyanoquinodimethane derivatives: Crystal structures and transport properties of charge-transfer solids of cytosine

Murata, T; Saito, G; Enomoto, Y; Honda, G; Shimizu, Y; Matsui, S; Sakata, M; Drozdova, OO; Yakushi, … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 81 ( 3 ) 331 - 344 2008年03月15日

ISSN: 0009-2673

DOI
Discrimination of class I cyclobutane pyrimidine dimer photolyase from blue light photoreceptors by single methionine residue

Miyazawa, Y; Nishioka, H; Yura, K; Yamato, T

BIOPHYSICAL JOURNAL 94 ( 6 ) 2194 - 2203 2008年03月15日

ISSN: 0006-3495

DOI
Theory of chemical bonds in metalloenzymes. VII. Hybrid-density functional theory studies on the electronic structures of P450

Shoji, M; Isobe, H; Saito, T; Yabushita, H; Koizumi, K; Kitagawa, Y; Yamanaka, S; Kawakami, T; Okum … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 108 ( 4 ) 631 - 650 2008年03月15日

ISSN: 0020-7608

DOI
Protein conformation changes of HemAT-Bs upon ligand binding probed by ultraviolet resonance Raman spectroscopy

El-Mashtoly, SF; Gu, Y; Yoshimura, H; Yoshioka, S; Aono, S; Kitagawa, T

JOURNAL OF BIOLOGICAL CHEMISTRY 283 ( 11 ) 6942 - 6949 2008年03月14日

ISSN: 0021-9258

DOI
Proton transfer in a two-dimensional hydrogen-bonding network: Water and hydroxyl on a Pt(111) surface

Nagasaka, M; Kondoh, H; Amemiya, K; Ohta, T; Iwasawa, Y

PHYSICAL REVIEW LETTERS 100 ( 10 ) 2008年03月14日

ISSN: 0031-9007

DOI
Stress tensor analysis of the protein quake of photoactive yellow protein

Koike, K; Kawaguchi, K; Yamato, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10 ( 10 ) 1400 - 1405 2008年03月14日

ISSN: 1463-9076

DOI
Tunneling splitting and decay of metastable states in polyatomic molecules: invariant instanton theory

Mil'nikov, G; Nakamura, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10 ( 10 ) 1374 - 1393 2008年03月14日

ISSN: 1463-9076

DOI
Estimation of redox potential of strained Si by density functional theory calculation

Sakata, K; Ishizaki, S; Nakai, H; Homma, T

JOURNAL OF PHYSICAL CHEMISTRY C 112 ( 10 ) 3538 - 3542 2008年03月13日

ISSN: 1932-7447

DOI
Cooperative effects in static polarizabilities and second hyperpolarizabilities of hydrogen-bonded 4-pyridones

Kishi, R; Umezaki, SY; Fukui, H; Minami, T; Kubota, K; Takahashi, H; Nakano, M

CHEMICAL PHYSICS LETTERS 454 ( 1-3 ) 91 - 96 2008年03月10日

ISSN: 0009-2614

DOI
Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer

Nakano, M; Takebe, A; Kishi, R; Fukui, H; Minami, T; Kubota, K; Takahashi, H; Kubo, T; Kamada, K; O … 全著者表示

CHEMICAL PHYSICS LETTERS 454 ( 1-3 ) 97 - 104 2008年03月10日

ISSN: 0009-2614

DOI
Raman spectroscopic study on isomers of photochromic 1,2-bis(2,5-dimethy1-3-thienyl) perfluorocyclopentene in crystal and stability of the closed-ring forms in the open-ring forms

Saita, K; Kobatake, S; Fukaminato, T; Nanbu, S; Irie, M; Sekiya, H

CHEMICAL PHYSICS LETTERS 454 ( 1-3 ) 42 - 48 2008年03月10日

ISSN: 0009-2614

DOI
Molecular orbital propagation to accelerate self-consistent-field convergence in an ab initio molecular dynamics simulation

Atsumi, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 128 ( 9 ) 2008年03月07日

ISSN: 0021-9606

DOI
Analysis on excitation of molecules with Ih symmetry:: Frozen orbital analysis and general rules

Baba, T; Imamura, Y; Okamoto, M; Nakai, H

CHEMISTRY LETTERS 37 ( 3 ) 322 - 323 2008年03月05日

ISSN: 0366-7022

DOI
Fabrication of Si-based planar type patch clamp biosensor using silicon on insulator substrate

Zhang, ZL; Asano, T; Uno, H; Tero, R; Suzui, M; Nakao, S; Kaito, T; Shibasaki, K; Tominaga, A; Utsu … 全著者表示

THIN SOLID FILMS 516 ( 9 ) 2813 - 2815 2008年03月03日

ISSN: 0040-6090

DOI
Molecular structures and energies of low-lying LixSix (x=1-4) clusters:: Comparison with LixCx (x=1, 2, 4) clusters

Boo, BH; Kim, SJ; Lee, MH; Nishi, N

CHEMICAL PHYSICS LETTERS 453 ( 4-6 ) 150 - 159 2008年03月03日

ISSN: 0009-2614

DOI
The conformation of alkyl cyclohexanones and terpenic ketones.: Interpretation for the 'alkylketone effect' based on the CH/π(C=O) hydrogen bond

Takahashi, O; Yamasaki, K; Kohno, Y; Kurihara, Y; Ueda, K; Umezawa, Y; Suezawa, H; Nishio, M

TETRAHEDRON 64 ( 10 ) 2433 - 2440 2008年03月03日

ISSN: 0040-4020

DOI
Transient intermediates from Mn(salen) with sterically hindered mesityl groups:: Interconversion between MnIV-phenolate and MnIII-phenoxyl radicals as an origin for unique reactivity

Kurahashi, T; Kikuchi, A; Tosha, T; Shiro, Y; Kitagawa, T; Fujii, H

INORGANIC CHEMISTRY 47 ( 5 ) 1674 - 1686 2008年03月03日

ISSN: 0020-1669

DOI
3,8-bis(4-chlorophenyl)-4,7-dimethyl-tricyclo[4.2.2.02,5]deca-3,7-diene

Tomura, M; Yamashita, Y

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 64 O545 - U710 2008年03月

ISSN: 1600-5368

DOI
920 MHz ultra-high field NMR approaches to structural glycobiology

Kato, K; Sasakawa, H; Kamiya, Y; Utsumi, M; Nakano, M; Takahashi, N; Yamaguchi, Y

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1780 ( 3 ) 619 - 625 2008年03月

ISSN: 0304-4165

DOI
Charge and spin excitation spectra in the one-dimensional Hubbard model with next-nearest-neighbor hopping

Nishimoto, S; Shirakawa, T; Ohta, Y

PHYSICAL REVIEW B 77 ( 11 ) 2008年03月

ISSN: 2469-9950

DOI
Charge disproportionation and dynamics in θ-(BEDT-TTF)2CsZn(SCN)4

Chiba, R; Hiraki, K; Takahashi, T; Yamamoto, HM; Nakamura, T

PHYSICAL REVIEW B 77 ( 11 ) 2008年03月

ISSN: 2469-9950

DOI
Charge order with structural distortion in organic conductors:: Comparison between θ-(ET)2RbZn(SCN)4 and α-(ET)2I3

Tanaka, Y; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 3 ) 2008年03月

ISSN: 0031-9015

DOI
Crystal structure of a chaperone complex that contributes to the assembly of yeast 20S proteasomes

Yashiroda, H; Mizushima, T; Okamoto, K; Kameyama, T; Hayashi, H; Kishimoto, T; Niwa, S; Kasahara, M … 全著者表示

NATURE STRUCTURAL & MOLECULAR BIOLOGY 15 ( 3 ) 228 - 236 2008年03月

ISSN: 1545-9993

DOI
Dynamics of group II chaperonin and prefoldin probed by 13C NMR spectroscopy

Kurimoto, E; Nishi, Y; Yamaguchi, Y; Zako, T; Iizuka, R; Ide, N; Yohda, M; Kato, K

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 70 ( 4 ) 1257 - 1263 2008年03月

ISSN: 0887-3585

DOI
Highly isotropic magnetoresistance in a single-component molecular metal [Ni(tmdt)2]

Yasuzuka, S; Tanaka, H; Tokumoto, M; Graf, D; Choi, ES; Brooks, JS; Kobayashi, H; Kobayashi, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 3 ) 2008年03月

ISSN: 0031-9015

DOI
Hydrostatic pressure effect on photoinduced insulator-to-metal transition in the layered organic salt α-(BEDT-TTF)2I3

Iwai, S; Yamamoto, K; Hiramatsu, F; Nakaya, H; Kawakami, Y; Yakushi, K

PHYSICAL REVIEW B 77 ( 12 ) 2008年03月

ISSN: 2469-9950

DOI
Impact of oxidation-induced strain on microscopic processes related to oxidation reaction at the SiO2/Si(100) interface

Akiyama, T; Ito, T; Kageshima, H; Uematsu, M

PHYSICAL REVIEW B 77 ( 11 ) 2008年03月

ISSN: 2469-9950

DOI
Large-scale density-functional calculations on silicon divacancies

Iwata, JI; Shiraishi, K; Oshiyama, A

PHYSICAL REVIEW B 77 ( 11 ) 2008年03月

ISSN: 1098-0121

DOI
Magnetic, optical, and magnetooptical properties of spinel-type ACr2X4 (A = Mn, Fe, Co, Cu, Zn, Cd; X = O, S, Se)

Ohgushi, K; Okimoto, Y; Ogasawara, T; Miyasaka, S; Tokura, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 3 ) 2008年03月

ISSN: 0031-9015

DOI
Microchip electrophoresis for specific gene detection of the pathogenic bacteria V-cholerae by circle-to-circle amplification

Mahmoudian, L; Melin, J; Mohamadi, MR; Yamada, K; Ohta, M; Kaji, N; Tokeshi, M; Nilsson, M; Baba, Y

ANALYTICAL SCIENCES 24 ( 3 ) 327 - 332 2008年03月

ISSN: 0910-6340

DOI
Poly(methylmethacrylate) microchip electrophoresis of proteins using linear-poly(acrylamide) solutions as separation matrix

Okada, H; Kaji, N; Tokeshi, M; Baba, Y

ANALYTICAL SCIENCES 24 ( 3 ) 321 - 325 2008年03月

ISSN: 0910-6340

DOI
Possible one-dimensional helical conductor:: Hexa-peri-hexabenzocoronene nanotube

Hara, T; Furukawa, K; Nakamura, T; Yamamoto, Y; Kosaka, A; Jin, WS; Fukushima, T; Aida, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 3 ) 2008年03月

ISSN: 0031-9015

DOI
Quantitative determination of amino acids in functional foods by microchip electrophoresis

Ueno, H; Wang, J; Kaji, N; Tokeshi, M; Baba, Y

JOURNAL OF SEPARATION SCIENCE 31 ( 5 ) 898 - 903 2008年03月

ISSN: 1615-9306

DOI
Acetylene-vinylidene isomerization in ultrashort intense laser fields studied by triple ion-coincidence momentum imaging

Hishikawa, A; Matsuda, A; Takahashi, EJ; Fushitani, M

JOURNAL OF CHEMICAL PHYSICS 128 ( 8 ) 2008年02月28日

ISSN: 0021-9606

DOI
Quantum chemical and electrostatic studies of anionic water clusters (H2O)n-

Kulkarni, AD; Gadre, SR; Nagase, S

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 851 ( 1-3 ) 213 - 219 2008年02月28日

ISSN: 0166-1280

DOI
Asymmetry of the GroEL-GroES complex under physiological conditions as revealed by small-angle X-ray scattering

Inobe, T; Takahashi, K; Maki, K; Enoki, S; Kamagata, K; Kadooka, A; Arai, M; Kuwajima, K

BIOPHYSICAL JOURNAL 94 ( 4 ) 1392 - 1402 2008年02月15日

ISSN: 0006-3495

DOI
Investigation of the dominant hydration structures among the ionic species in aqueous solution: Novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation

Takahashi, H; Ohno, H; Yamauchi, T; Kishi, R; Furukawa, S; Nakano, M; Matubayasi, N

JOURNAL OF CHEMICAL PHYSICS 128 ( 6 ) 2008年02月14日

ISSN: 0021-9606

DOI
Isolation and characterization of carbene derivatives of La@C82(Cs)

Akasaka, T; Kono, T; Matsunaga, Y; Wakahara, T; Nakahodo, T; Ishitsuka, MO; Maeda, Y; Tsuchiya, T; … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 6 ) 1294 - 1297 2008年02月14日

ISSN: 1089-5639

DOI
Fundamental absorption frequencies and mean structures at vibrational ground state from quasi-classical direct ab initio MD: Triatomic molecule

Yamada, T; Aida, M

CHEMICAL PHYSICS LETTERS 452 ( 4-6 ) 315 - 320 2008年02月11日

ISSN: 0009-2614

DOI
BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors

Maeda, H; Terasaki, M; Haketa, Y; Mihashi, Y; Kusunose, Y

ORGANIC & BIOMOLECULAR CHEMISTRY 6 ( 3 ) 433 - 436 2008年02月07日

ISSN: 1477-0520

DOI
Collision energy dependence of the O(1D)+HCl→OH+Cl(2P) reaction studied by crossed beam scattering and quasiclassical trajectory calculations on ab initio potential energy surfaces

Kohguchi, H; Suzuki, T; Nanbu, S; Ishida, T; Mil'nikov, GV; Oloyede, P; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 5 ) 818 - 825 2008年02月07日

ISSN: 1089-5639

DOI
Ketone super silyl enol ethers in sequential reactions: Diastereoselective generation of tertiary carbinols in one pot

Boxer, MB; Akakura, M; Yamamoto, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 5 ) 1580 - + 2008年02月06日

ISSN: 0002-7863

DOI
On the proton exclusion of aquaporins: A statistical mechanics study

Phongphanphanee, S; Yoshida, N; Hirata, F

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 5 ) 1540 - + 2008年02月06日

ISSN: 0002-7863

DOI
Conducting dimerized cobalt complexes, with tetrathlafulvalene dithiolate ligands

Fujiwara, E; Hosoya, K; Kobayashi, A; Tanaka, H; Tokumoto, M; Okano, Y; Fujiwara, H; Kobayashi, H; … 全著者表示

INORGANIC CHEMISTRY 47 ( 3 ) 863 - 874 2008年02月04日

ISSN: 0020-1669

DOI
A new utilization of organic molecules for nanofabrication using the molecular ruler method

Hino, T; Tanaka, H; Ozawa, H; Lida, Y; Ogawa, T

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS 313 369 - 372 2008年02月01日

ISSN: 0927-7757

DOI
Deletion of 3 residues from the C-terminus of MCFD2 affects binding to ERGIC-53 and causes combined factor V and factor VIII deficiency

Nyfeler, B; Kamiya, Y; Boehlen, F; Yamamoto, K; Kato, K; de Moerloose, P; Hauri, HP; Neerman-Arbez, … 全著者表示

BLOOD 111 ( 3 ) 1299 - 1301 2008年02月01日

ISSN: 0006-4971

DOI
Scanning tunneling microscopy investigation of vanadyl and cobalt(II) octaethylporphyrin self-assembled monolayer arrays on graphite

Miyake, Y; Tanaka, H; Ogawa, T

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS 313 230 - 233 2008年02月01日

ISSN: 0927-7757

DOI
A fluctuation-dissipation relationship-preserving field theory for interacting Brownian particles: one-loop theory and mode coupling theory

Kim, B; Kawasaki, K

JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT 2008年02月

ISSN: 1742-5468

DOI
Anomalously wide superconducting phase of one-dimensional organic conductor (TMTTF)2SbF6

Itoi, M; Araki, C; Hedo, M; Uwatoko, Y; Nakamura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 2 ) 2008年02月

ISSN: 0031-9015

DOI
Dielectric properties of epoxy/clay nanocomposites - Effects of curing agent and clay dispersion method

Tagami, N; Okada, M; Hirai, N; Ohki, Y; Tanaka, T; Imai, T; Harada, M; Ochi, M

IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION 15 ( 1 ) 24 - 32 2008年02月

ISSN: 1070-9878

DOI
Diethyl 2,3-dihydrothieno[3,4-b]-1,4-dioxine-5,7-dicarboxylate

Ono, K; Tomura, M; Saito, K

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 64 O468 - U2551 2008年02月

ISSN: 2056-9890

DOI
Effect of peripheral trifluoromethyl groups in artificial iron porphycene cofactor on ligand binding properties of myoglobin

Matsuo, T; Ito, K; Nakashima, Y; Hisaeda, Y; Hayashi, T

JOURNAL OF INORGANIC BIOCHEMISTRY 102 ( 2 ) 166 - 173 2008年02月

ISSN: 0162-0134

DOI
Effective mass anomalies in strained-Si thin films and crystals

Yamauchi, J

IEEE ELECTRON DEVICE LETTERS 29 ( 2 ) 186 - 188 2008年02月

ISSN: 0741-3106

DOI
Electronic and optical properties of polyicosahedral Si nanostructures: A first-principles study

Nishio, K; Ozaki, T; Morishita, T; Shinoda, W; Mikami, M

PHYSICAL REVIEW B 77 ( 7 ) 2008年02月

ISSN: 1098-0121

DOI
Formation of single- and double-layer silicon in slit pores

Morishita, T; Nishio, K; Mikami, M

PHYSICAL REVIEW B 77 ( 8 ) 2008年02月

ISSN: 2469-9950

DOI
Generation of high efficiency 2 μm laser pulse from a periodically poled 5 mol% MgO-doped LiNbO3 optical parametric oscillator

Bhushan, R; Yoshida, H; Tsubakimoto, K; Fujita, H; Nakatsuka, M; Miyanaga, N; Izawa, Y; Ishizuki, H … 全著者表示

APPLIED PHYSICS EXPRESS 1 ( 2 ) 2008年02月

ISSN: 1882-0778

DOI
Infrared and Raman study of the charge-ordered state in the vicinity of the superconducting state in the organic conductor β-(meso-DMBEDT-TTF)2PF6

Tanaka, M; Yamamoto, K; Uruichi, M; Yamamoto, T; Yakushi, K; Kimura, S; Mori, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 2 ) 2008年02月

ISSN: 0031-9015

DOI
Large electric-potential bias in an EDO-TTF tetramer as a major mechanism of charge ordering observed in its PF6 salt:: A density functional theory study

Iwano, K; Shimoi, Y

PHYSICAL REVIEW B 77 ( 7 ) 2008年02月

ISSN: 2469-9950

DOI
Neural complex-specific expression of xylosyl N-glycan in Ciona intestinalis

Yagi, H; Nakagawa, M; Takahashi, N; Kondo, S; Matsubara, M; Kato, K

GLYCOBIOLOGY 18 ( 2 ) 145 - 151 2008年02月

ISSN: 0959-6658

DOI
Nuclease tolerant FRET probe based on DNA-quantum dot conjugation

Onoshima, D; Kaji, N; Tokeshi, M; Baba, Y

ANALYTICAL SCIENCES 24 ( 2 ) 181 - 183 2008年02月

ISSN: 0910-6340

DOI
Phase diagram of the one-dimensional Hubbard model with next-nearest-neighbor hopping

Nishimoto, S; Sano, K; Ohta, Y

PHYSICAL REVIEW B 77 ( 8 ) 2008年02月

ISSN: 1098-0121

DOI
Photoelectron spectroscopy study of photoresponsive change in electronic structure of amorphous photochromic diarylethene film

Tanaka, S; Toba, M; Nakashima, T; Kawa, T; Yoshino, K

JAPANESE JOURNAL OF APPLIED PHYSICS 47 ( 2 ) 1215 - 1218 2008年02月

ISSN: 0021-4922

DOI
Raman and near-field spectroscopic study on localized surface plasmon excitation from the 2D nanostructure of gold nanoparticles

Hossain, MK; Shimada, T; Kitajima, M; Imura, K; Okamoto, H

JOURNAL OF MICROSCOPY 229 ( 2 ) 327 - 330 2008年02月

ISSN: 0022-2720

DOI
Single-component molecular metals as multiband π-d systems

Seo, H; Ishibashi, S; Okano, Y; Kobayashi, H; Kobayashi, A; Fukuyama, H; Terakura, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 2 ) 2008年02月

ISSN: 0031-9015

DOI
Structural and dynamical heterogeneity in deeply supercooled liquid silicon

Morishita, T

PHYSICAL REVIEW E 77 ( 2 ) 2008年02月

ISSN: 1539-3755

DOI
Vibronic coupling in naphthalene anion: Vibronic coupling density analysis for totally symmetric vibrational modes

Sato, T; Tokunaga, K; Tanaka, K

JOURNAL OF PHYSICAL CHEMISTRY A 112 ( 4 ) 758 - 767 2008年01月31日

ISSN: 1089-5639

DOI
Effect of insertion of a thin bathocuproine layer at Au/Zn-phthalocyanine interface on energy level alignment and morphology

Tanaka, S; Yoshida, Y; Nonomura, M; Yoshino, K; Hiromitsu, I

THIN SOLID FILMS 516 ( 6 ) 1006 - 1011 2008年01月30日

ISSN: 0040-6090

DOI
Increased electric conductance through physisorbed oxygen on copper nanocables sheathed in carbon

Judai, K; Numao, S; Furuya, A; Nishijo, J; Nishi, N

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 4 ) 1142 - + 2008年01月30日

ISSN: 0002-7863

DOI
A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamics

Yamada, A; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 128 ( 4 ) 2008年01月28日

ISSN: 0021-9606

DOI
Sub-natural linewidth spectroscopy on core-valence doubly ionized states of OCS

Hikosaka, Y; Lablanquie, P; Shigemasa, E; Aoto, T; Ito, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 41 ( 2 ) 2008年01月28日

ISSN: 0953-4075

DOI
Threshold photoelectron spectroscopy on inner-valence ionic states of NO

Hikosaka, Y; Aoto, T; Ito, K; Terasaka, Y; Hirayama, R; Miyoshi, E

JOURNAL OF CHEMICAL PHYSICS 128 ( 4 ) 2008年01月28日

ISSN: 0021-9606

DOI
Molecular basis of sugar recognition by the human L-type lectins ERGIC-53, VIPL, and VIP36

Kamiya, Y; Kamiya, D; Yamamoto, K; Nyfeler, B; Hauri, HP; Kato, K

JOURNAL OF BIOLOGICAL CHEMISTRY 283 ( 4 ) 1857 - 1861 2008年01月25日

DOI
Addition of adamantylidene to La2@C78:: Isolation and single-crystal X-ray structural determination of the monoadducts

Cao, B; Nikawa, H; Nakahodo, T; Tsuchiya, T; Maeda, Y; Akasaka, T; Sawa, H; Slanina, Z; Mizorogi, N … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 3 ) 983 - 989 2008年01月23日

ISSN: 0002-7863

DOI
The mechanism for isopenicillin N synthase from density-functional modeling highlights the similarities with other enzymes in the 2-his-1-carboxylate family

Lundberg, M; Siegbahn, PEM; Morokuma, K

BIOCHEMISTRY 47 ( 3 ) 1031 - 1042 2008年01月22日

ISSN: 0006-2960

DOI
An integral equation theory for inhomogeneous molecular fluids: The reference interaction site model approach

Ishizuka, R; Chong, SH; Hirata, F

JOURNAL OF CHEMICAL PHYSICS 128 ( 3 ) 2008年01月21日

ISSN: 0021-9606

DOI
Kinetic and modeling studies on ETBE pyrolysis behind reflected shock waves

Yasunaga, K; Kuraguchi, Y; Hidaka, Y; Takahashi, O; Yamada, H; Koike, T

CHEMICAL PHYSICS LETTERS 451 ( 4-6 ) 192 - 197 2008年01月21日

ISSN: 0009-2614

DOI
Syntheses, crystal structures, and spectral properties of a series of 3,8-bisphenyl-1,10-phenanthroline derivatives:: Precursors of 3,8-bis(4-mercaptophenyl)-1, 10-phenanthroline and its ruthenium(II) complex for preparing nanocomposite junctions with gold nanoparticles between 1 μm gap gold electrodes

Huang, W; Masuda, G; Maeda, S; Tanakat, H; Hino, T; Ogawa, T

INORGANIC CHEMISTRY 47 ( 2 ) 468 - 480 2008年01月21日

ISSN: 0020-1669

DOI
Theoretical study of temperature and solvent dependence of the free-energy surface of the intramolecular electron-transfer based on the RISM-SCF theory: Application to the 1,3-dinitrobenzene radical anion in acetonitrile and methanol

Yoshida, N; Ishida, T; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 112 ( 2 ) 433 - 440 2008年01月17日

ISSN: 1520-6106

DOI
Nanorods of endohedral metallofullerene derivative

Tsuchiya, T; Kumashiro, R; Tanigaki, K; Matsunaga, Y; Ishitsuka, MO; Wakahara, T; Maeda, Y; Takano, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 2 ) 450 - + 2008年01月16日

ISSN: 0002-7863

DOI
Multi-frequency ESR studies on low-dimensional antiferromagnets, ζ-(BEDT-TTF)2PF6(THF) and γ-(BEDT-TTF)2PF6

Maeda, K; Hara, T; Furukawa, K; Nakamura, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 81 ( 1 ) 84 - 90 2008年01月15日

ISSN: 0009-2673

DOI
Theoretical studies on electronic structures and chemical indices of the active site of oxygenated and deoxygenated hemerythrin

Takano, Y; Isobe, H; Yamaguchi, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 81 ( 1 ) 91 - 102 2008年01月15日

ISSN: 0009-2673

DOI
Finite-temperature density functional calculation with polarizable continuum model in electrochemical environment

Shiratori, K; Nobusada, K

CHEMICAL PHYSICS LETTERS 451 ( 1-3 ) 158 - 162 2008年01月14日

ISSN: 0009-2614

DOI
Theoretical study on the second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect

Takebe, A; Nakano, M; Kishi, R; Nate, M; Takahashi, H; Kubo, T; Kamada, K; Ohta, K; Champagne, B; B … 全著者表示

CHEMICAL PHYSICS LETTERS 451 ( 1-3 ) 111 - 115 2008年01月14日

ISSN: 0009-2614

DOI
Regulation mechanism of spin-orbit coupling in charge-transfer-induced luminescence of imidazopyrazinone derivatives

Isobe, H; Yamanaka, S; Kuramitsu, S; Yamaguchi, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 130 ( 1 ) 132 - 149 2008年01月09日

ISSN: 0002-7863

DOI
Molecular mobility of peroxy radicals at the ends of noinsolated polystyrene chains tethered on the solid surface of poly (tetrafluoroethylene) in a vacuum

Sakaguchi, M; Iwamura, T; Yamamoto, K; Miwa, Y; Shimada, S; Sakai, M

MACROMOLECULES 41 ( 1 ) 253 - 257 2008年01月08日

ISSN: 0024-9297

DOI
Quantum dynamical study of the O(1D) plus HCl reaction employing three electronic state potential energy surfaces

Yang, H; Han, KL; Nanbu, S; Nakamura, H; Balint-Kurti, GG; Zhang, H; Smith, SC; Hankel, M

JOURNAL OF CHEMICAL PHYSICS 128 ( 1 ) 2008年01月07日

ISSN: 0021-9606

DOI
Synthesis and properties of new tetrathiapentalene donors composed of vinylogous TTFs

Iwamoto, S; Watanabe, S; Fueno, H; Tanaka, K; Misaki, Y

CHEMISTRY LETTERS 37 ( 1 ) 82 - 83 2008年01月05日

ISSN: 0366-7022

DOI
The copper(II) complex with two didentate Schiff base ligands. The unique rearrangment that proceeds under alcohol vapor in the solid state to construct noninclusion structure

Shibuya, Y; Nabari, K; Kondo, M; Yasue, S; Maeda, K; Uchida, F; Kawaguchi, H

CHEMISTRY LETTERS 37 ( 1 ) 78 - 79 2008年01月05日

ISSN: 0366-7022

DOI
Atomic structures of supersaturated ZnO-AL2O3 solid solutions

Yoshioka, S; Oba, F; Huang, R; Tanaka, I; Mizoguchi, T; Yamamoto, T

JOURNAL OF APPLIED PHYSICS 103 ( 1 ) 2008年01月01日

ISSN: 0021-8979

DOI
Dynamic cross-linking effect of Mg2+ to enhance sieving properties of low-viscosity poly(vinylpyrrolidone) solutions for microchip electrophoresis of proteins

Mohamadi, MR; Kaji, N; Tokeshi, M; Baba, Y

ANALYTICAL CHEMISTRY 80 ( 1 ) 312 - 316 2008年01月01日

ISSN: 0003-2700

DOI
(E)-2-(2,6-Dichlorophenyl)-2-(phenylimino)acetamide

Tomura, M

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 64 O170 - U4050 2008年01月

ISSN: 2056-9890

DOI
6,11-Dihydroxynaphthacene-5,12-dione

Tomura, M; Yamaguchi, H; Ono, K; Saito, K

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 64 O172 - U4061 2008年01月

ISSN: 1600-5368

DOI
Absolute total photoionization cross section of C60 in the range of 25-120 eV:: Revisited

Kafle, BP; Katayanagi, H; Prodhan, MSI; Yagi, H; Huang, CQ; Mitsuke, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 77 ( 1 ) 2008年01月

ISSN: 0031-9015

DOI
Energetics of nanoscale graphene ribbons: Edge geometries and electronic structures

Okada, S

PHYSICAL REVIEW B 77 ( 4 ) 2008年01月

ISSN: 1098-0121

DOI
Formation and biological affinity evaluation of crystallographically aligned hydroxyapatite

Hagio, T; Tanase, T; Akiyama, J; Iwai, K; Asai, S

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN 116 ( 1349 ) 79 - 82 2008年01月

ISSN: 1882-0743

DOI
Ge vacancies at Ge/Si interfaces: Stress-enhanced pairing distortion

Takai, K; Shiraishi, K; Oshiyama, A

PHYSICAL REVIEW B 77 ( 4 ) 2008年01月

ISSN: 1098-0121

DOI
Ultrafast photoinduced changes of eigenfunctions of localized plasmon modes in gold nanorods

Imura, K; Okamoto, H

PHYSICAL REVIEW B 77 ( 4 ) 2008年01月

ISSN: 2469-9950

DOI
Vibration-induced suppression of valence-Rydberg mixing in the O 1s→nsσ Rydberg series in N2O

Tanaka, T; Hoshino, M; Kato, H; Ehara, M; Yamada, N; Fukuda, R; Nakatsuji, H; Tamenori, Y; Harries, … 全著者表示

PHYSICAL REVIEW A 77 ( 1 ) 2008年01月

ISSN: 2469-9926

DOI
A Belt-Shaped, Blue Luminescent, and Semiconducting Covalent Organic Framework

Wan, S; Guo, J; Kim, J; Ihee, H; Jiang, DL

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 47 ( 46 ) 8826 - 8830 2008年

ISSN: 1433-7851

DOI
A Stable Radical Species from Facile Oxygenation of meso-Free 5,10,20,25-Tetrakis(pentafluorophenyl)-Substituted [26]Hexaphyrin(1.1.1.1.1.1)

Koide, T; Kashiwazaki, G; Suzuki, M; Furukawa, K; Yoon, MC; Cho, S; Kim, D; Osuka, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 47 ( 50 ) 9661 - 9665 2008年

ISSN: 1433-7851

DOI
A porous coordination-polymer crystal containing one-dimensional water chains exhibits guest-induced lattice distortion and a dielectric anomaly

Cui, H; Zhou, B; Long, LS; Okano, Y; Kobayashi, H; Kobayashi, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 47 ( 18 ) 3376 - 3380 2008年

ISSN: 1433-7851

DOI
An N-substituted aza[14] metacyclophane tetracation:: a spin-quintet tetraradical with four para-phenylenediamine-based semi-quinone moieties

Ito, A; Inoue, S; Hirao, Y; Furukawa, K; Kato, T; Tanaka, K

CHEMICAL COMMUNICATIONS ( 28 ) 3242 - 3244 2008年

ISSN: 1359-7345

DOI
Bis-Carbene Adducts of Non-IPR La2@C72: Localization of High Reactivity around Fused Pentagons and Electrochemical Properties

Lu, X; Nikawa, H; Tsuchiya, T; Maeda, Y; Ishitsuka, MO; Akasaka, T; Toki, M; Sawa, H; Slanina, Z; M … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 47 ( 45 ) 8642 - 8645 2008年

ISSN: 1433-7851

DOI
Characteristics of chemical bond in perovskite-type hydrides

Shinzato, Y; Komiya, K; Takahashi, Y; Yukawa, H; Morinaga, M; Orimo, S

ADVANCES IN QUANTUM CHEMISTRY, VOL 54 54 245 - 253 2008年

ISBN: 978-0-12-373926-1

ISSN: 0065-3276

DOI
Computational screening of metallofullerenes for nanoscience:: Sr@C74

Slanina, Z; Uhlík, F; Lee, SL; Adamowicz, L; Nagase, S

MOLECULAR SIMULATION 34 ( 1 ) 17 - 21 2008年

ISSN: 0892-7022

DOI
Computational treatment of alkaline earth encapsulations in C74:: Relative thermodynamic production abundances

Uhlík, F; Slanina, Z; Nagase, S

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 16 ( 5-6 ) 507 - 516 2008年

ISSN: 1536-383X

DOI
Coordination structures of the silver ion:: infrared photodissociation spectroscopy of Ag+ (NH3)n (n=3-8)

Inoue, K; Ohashi, K; Iino, T; Sasaki, J; Judai, K; Nishi, N; Sekiya, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10 ( 21 ) 3052 - 3062 2008年

ISSN: 1463-9076

DOI
Density Functional Studies on Thromboxane Biosynthesis: Mechanism and Role of the Heme-Thiolate System

Yanai, TK; Mori, S

CHEMISTRY-AN ASIAN JOURNAL 3 ( 11 ) 1900 - 1911 2008年

ISSN: 1861-4728

DOI
First acid dissociation at an aqueous H2SO4 interface with sum frequency generation spectroscopy

Miyamae, T; Morita, A; Ouchi, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10 ( 15 ) 2010 - 2013 2008年

ISSN: 1463-9076

DOI
Halide anion mediated dimerization of a meso-unsubstituted N-confused porphyrin

Furuta, H; Nanami, H; Morimoto, T; Ogawa, T; Král, V; Sessler, JL; Lynch, V

CHEMISTRY-AN ASIAN JOURNAL 3 ( 3 ) 592 - 599 2008年

ISSN: 1861-4728

DOI
Hydrothermal treatment to prepare hydroxyl group modified multi-walled carbon nanotubes

Yang, D; Guo, GQ; Hu, JH; Wang, C; Jiang, DL

JOURNAL OF MATERIALS CHEMISTRY 18 ( 3 ) 350 - 354 2008年

ISSN: 0959-9428

DOI
Local heating induced by Coherent Harmonic Generation on electron beam dynamics in storage ring

Labat, M; Bruni, C; Lambert, G; Hosaka, M; Shimada, M; Katoh, M; Mochihashi, A; Takashima, Y; Hara, … 全著者表示

EPL 81 ( 3 ) 2008年

ISSN: 0295-5075

DOI
Luminescence properties of metallo-supramolecular coordination polymers assembled from pyridine ring functionalized ditopic bis-terpyridines and Ru(II) ion

Han, FS; Higuchi, M; Ikeda, T; Negishi, Y; Tsukuda, T; Kurth, DG

JOURNAL OF MATERIALS CHEMISTRY 18 ( 38 ) 4555 - 4560 2008年

ISSN: 0959-9428

DOI
Metal-containing sensor proteins sensing diatomic gas molecules

Aono, S

DALTON TRANSACTIONS ( 24 ) 3137 - 3146 2008年

ISSN: 1477-9226

DOI
NONADIABATIC CHEMICAL DYNAMICS: COMPREHENSION AND CONTROL OF DYNAMICS, AND MANIFESTATION OF MOLECULAR FUNCTIONS

Nakamura, H

ADVANCES IN CHEMICAL PHYSICS, VOL 138 138 95 - 212 2008年

ISBN: 978-0-471-68234-9

ISSN: 0065-2385

DOI
New expression of the chemical bond in hydrides using atomization energies

Shinzato, Y; Yukawa, H; Morinaga, M; Baba, T; Nakai, H

ADVANCES IN QUANTUM CHEMISTRY, VOL 54 54 145 - 160 2008年

ISBN: 978-0-12-373926-1

ISSN: 0065-3276

DOI
Observation of 13C NMR chemical shifts of metal carbides encapsulated in fullerenes:: Sc2C2@C82, Sc2C2@C84, and Sc3C2@C80

Yamazaki, Y; Nakajima, K; Wakahara, T; Tsuchiya, T; Ishitsuka, MO; Maeda, Y; Akasaka, T; Waelchli, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 47 ( 41 ) 7905 - 7908 2008年

ISSN: 1433-7851

DOI
Observation of an isolated intermediate of the nucleophilic aromatic substition reaction by infrared spectroscopy

Hasegawa, H; Mizuse, K; Hachiya, M; Matsuda, Y; Mikami, N; Fujii, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 47 ( 32 ) 6008 - 6010 2008年

ISSN: 1433-7851

DOI
Photodissociation of CH2I2 and subsequent electron transfer in solution

Saitow, KI; Naitoh, Y; Tominaga, K; Yoshihara, K

CHEMISTRY-AN ASIAN JOURNAL 3 ( 4 ) 696 - 709 2008年

ISSN: 1861-4728

DOI
Preparation of transparent and conductive thin films of metallic single-walled carbon nanotubes

Maeda, Y; Hashimoto, M; Kaneko, S; Kanda, M; Hasegawa, T; Tsuchiya, T; Akasaka, T; Naitoh, Y; Shimi … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY 18 ( 35 ) 4189 - 4192 2008年

ISSN: 0959-9428

DOI
Recent progress in theoretical analysis of vibrational sum frequency generation spectroscopy

Morita, A; Ishiyama, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10 ( 38 ) 5801 - 5816 2008年

ISSN: 1463-9076

DOI
Self-assembling construction of a novel nanoscale heptacobalt complex with an S-shaped folding

Kondo, M; Sugahara, S; Nakamura, Y; Miyazawa, M; Yasue, S; Maeda, K; Uchida, F; Sakane, G; Kawaguch … 全著者表示

CRYSTENGCOMM 10 ( 11 ) 1516 - 1519 2008年

ISSN: 1466-8033

DOI
Synthesis and Electrochemical Reduction of a Ruthenium Complex Bearing an N,N-Bis[(benzo[g][1,5]naphthyridin-2-yl)methyl]propane-2-amine Ligand as an NAD-+/NADH-Type Redox Site

Kimura, M; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 47 ( 50 ) 9768 - 9771 2008年

ISSN: 1433-7851

DOI
Synthesis, structure and reactions of a trianion equivalent, trilithiostannane

Tajima, T; Ikeda, M; Saito, M; Ishimura, K; Nagase, S

CHEMICAL COMMUNICATIONS ( 48 ) 6495 - 6497 2008年

ISSN: 1359-7345

DOI
Synthesis, structure, and transport property of perfluorinated oligofluorenes

Ohkubo, K; Sakamoto, Y; Suzuki, T; Tsuzuki, T; Kumaki, D; Tokito, S

CHEMISTRY-A EUROPEAN JOURNAL 14 ( 15 ) 4472 - 4474 2008年

ISSN: 0947-6539

DOI
The electronic structure of C.I. Pigment Red 209

Senju, T; Minguchi, J

DYES AND PIGMENTS 76 ( 3 ) 760 - 764 2008年

ISSN: 0143-7208

DOI
Theoretical studies on the photochemical reaction mechanisms of o-xylylene.: Effects of phenyl group for electrocyclic reaction mechanism

Sakai, S; Yamada, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10 ( 26 ) 3861 - 3866 2008年

ISSN: 1463-9076

DOI
Trimacrocyclic arylamine and its polycationic states

Ito, A; Yamagishi, Y; Fukui, K; Inoue, S; Hirao, Y; Furukawa, K; Kato, T; Tanaka, K

CHEMICAL COMMUNICATIONS ( 48 ) 6573 - 6575 2008年

ISSN: 1359-7345

DOI
Two-dimensional free-energy surface on the exchange reaction of alkyl chloride/chloride using the QM/MM-MC method

Ohisa, M; Yamataka, H; Dupuis, M; Aida, M

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10 ( 6 ) 844 - 849 2008年

ISSN: 1463-9076

DOI
Origin of visible light absorption in GaN-Rich (Ga1-xZnx)(N1-xOx) photocatalysts

Hirai, T; Maeda, K; Yoshida, M; Kubota, J; Ikeda, S; Matsumura, M; Domen, K

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 51 ) 18853 - 18855 2007年12月27日

ISSN: 1932-7447

DOI
Theoretical analysis of concerted and stepwise mechanisms of Diels-Alder reactions of butadiene with silaethylene and disilene

Wakayama, H; Sakai, S

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 51 ) 13575 - 13582 2007年12月27日

ISSN: 1089-5639

DOI
Visualizing recurrently migrating hydrogen in acetylene dication by intense ultrashort laser pulses

Hishikawa, A; Matsuda, A; Fushitani, M; Takahashi, EJ

PHYSICAL REVIEW LETTERS 99 ( 25 ) 2007年12月21日

ISSN: 0031-9007

DOI
Coaxial nanocables of AIN nanowire core and carbon/BN nanotube shell

Zhou, Z; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 50 ) 18533 - 18537 2007年12月20日

ISSN: 1932-7447

DOI
Two-photon absorption properties of dehydrobenzo[12]annulenes and hexa kis(phenylethynyl) benzenes: Effect of edge-linkage

Kamada, K; Antonov, L; Yamada, S; Ohta, K; Yoshimura, T; Tahara, K; Inaba, A; Sonoda, M; Tobe, Y

CHEMPHYSCHEM 8 ( 18 ) 2671 - 2677 2007年12月20日

ISSN: 1439-4235

DOI
Comparison of different potential models in the calculations of the infrared and polarized Raman spectra and the transient infrared absorption anisotropy of the OH stretching mode of liquid water

Torii, H

JOURNAL OF MOLECULAR LIQUIDS 136 ( 3 ) 274 - 280 2007年12月15日

ISSN: 0167-7322

DOI
Theoretical studies of chemical reactions - A fascinating world of chemistry from gas-phase elementary reactions through nanostructure formation and homogeneous catalysis to reactions of metalloenzymes

Morokuma, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 80 ( 12 ) 2247 - 2261 2007年12月15日

ISSN: 0009-2673

DOI
Investigation of inorganic compounds on the surface of cathode materials using Li and OK-edge XANES

Kobayashi, H; Emura, S; Arachi, Y; Tatsumi, K

JOURNAL OF POWER SOURCES 174 ( 2 ) 774 - 778 2007年12月06日

ISSN: 0378-7753

DOI
Investigation of positive electrodes after cycle testing of high-power Li-ion battery cells I. An approach to the power fading mechanism using XANES

Kobayashi, H; Shikano, M; Koike, S; Sakaebe, H; Tatsunii, K

JOURNAL OF POWER SOURCES 174 ( 2 ) 380 - 386 2007年12月06日

ISSN: 0378-7753

DOI
Construction of effective free energy landscape from single-molecule time series

Baba, A; Komatsuzaki, T

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 104 ( 49 ) 19297 - 19302 2007年12月04日

ISSN: 0027-8424

DOI
Density functional study of manganese dimer

Yamanaka, S; Ukai, T; Nakata, K; Takeda, R; Shoji, M; Kawakami, T; Takada, T; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 15 ) 3178 - 3190 2007年12月01日

ISSN: 0020-7608

DOI
Geometry optimization method based on approximate spin projection and its application to F2, CH2, CH2OO, and active site of urease

Kitagawa, Y; Saito, T; Ito, M; Nakanishi, Y; Shoji, M; Koizumi, K; Yamanaka, S; Kawakami, T; Okumur … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 15 ) 3094 - 3102 2007年12月01日

ISSN: 0020-7608

DOI
Hybrid density functional study of ligand coordination effects on the magnetic couplings and the Dioxygen binding of the models of hemocyanin

Takano, Y; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 15 ) 3103 - 3119 2007年12月01日

ISSN: 0020-7608

DOI
Spin-optimized resonating Hartree-Fock configuration interaction

Takeda, R; Yamanaka, S; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 15 ) 3219 - 3227 2007年12月01日

ISSN: 0020-7608

DOI
Strict simulations of non-equilibrium dynamics of colloids

Yamamoto, R; Kim, K; Nakayama, Y

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS 311 ( 1-3 ) 42 - 47 2007年12月01日

ISSN: 0927-7757

DOI
Theory of chemical bonds in metalloenzymes. IX. Theoretical study on the active site of the ribonucieotide reductase and the related species

Shoji, M; Isobe, H; Takano, Y; Kitagawa, Y; Yamanaka, S; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 15 ) 3250 - 3265 2007年12月01日

ISSN: 0020-7608

DOI
2H,10H-1,4-dioxepino[5′,6′:4,5]thieno[3,2-e][1,4]dioxepine-5,7(3H,9H)-dione

Tomura, M; Ono, K; Kaiden, M; Tsukamoto, K; Saito, K

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 63 O4568 - U3757 2007年12月

ISSN: 1600-5368

DOI
9,9-bis(4-methoxyphenyl)-9H-cyclopenta[2,1-b:3,4-b′]dipyridine

Ono, K; Tomura, M; Saito, K

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 63 O4612 - U4170 2007年12月

ISSN: 2056-9890

DOI
15N solid-NMR and X-ray diffraction studies of N-confused porphyrins

Fukuchi, M; Takegoshi, K; Ishizuka, T; Furuta, H

MAGNETIC RESONANCE IN CHEMISTRY 45 S56 - S60 2007年12月

ISSN: 0749-1581

DOI
77Se NMR evidence for the Jaccarino-Peter mechanism in the field induced superconductor, λ-(BETS)2FeCl4

Hiraki, KI; Mayaffre, H; Horvatic, M; Berthier, C; Uji, S; Yamaguchi, T; Tanaka, H; Kobayashi, A; K … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 12 ) 2007年12月

ISSN: 0031-9015

DOI
A hybrid organic-inorganic conductor κ′-BETS2FeCl4, BETS = bis(ethylenedithio)tetraselenafulvalene

Zhang, B; Pratt, FL; Kurmoo, M; Okano, Y; Kobayashi, H; Zhu, D

CRYSTAL GROWTH & DESIGN 7 ( 12 ) 2548 - 2552 2007年12月

ISSN: 1528-7483

DOI
A unified approach to the analysis of the chemical bond in hydrides and hydrocarbons

Shinzato, Y; Yukawa, H; Morinaga, M; Baba, T; Nakai, H

ACTA MATERIALIA 55 ( 20 ) 6673 - 6680 2007年12月

ISSN: 1359-6454

DOI
Angular quasi-phase-matching

Petit, Y; Boulanger, B; Segonds, P; Taira, T

PHYSICAL REVIEW A 76 ( 6 ) 2007年12月

ISSN: 1050-2947

DOI
Comparative study of atomic and electronic structures of P and Bi nanofilms

Saito, M; Takemori, Y; Hashi, T; Nagao, T; Yaginuma, S

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 46 ( 12 ) 7824 - 7828 2007年12月

ISSN: 0021-4922

DOI
How many elementary processes are involved in base- and acid-promoted aldol condensations?

Yamabe, S; Hirahara, K; Yamazaki, S

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2007 ( 36 ) 6070 - 6077 2007年12月

ISSN: 1434-193X

DOI
Implementation of molecular spin quantum computing by pulsed ENDOR technique:: Direct observation of quantum entanglement and spinor

Sato, K; Rahimi, R; Mori, N; Nishida, S; Toyota, K; Shiomi, D; Morita, Y; Ueda, A; Suzuki, S; Furuk … 全著者表示

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 40 ( 2 ) 363 - 366 2007年12月

ISSN: 1386-9477

DOI
Intense terahertz synchrotron radiation by laser bunch slicing at UVSOR-II electron storage ring

Shimada, M; Katoh, M; Kimura, SI; Mochihashi, A; Hosaka, M; Takashima, Y; Hara, T; Takahashi, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 46 ( 12 ) 7939 - 7944 2007年12月

ISSN: 0021-4922

DOI
Magic numbers of graphene multivacancies

Saito, M; Yamashita, K; Oda, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 46 ( 45-49 ) L1185 - L1187 2007年12月

ISSN: 0021-4922

DOI
Optical probes to identify the glucocorticoid receptor ligands in living cells

Awais, M; Sato, M; Umezawa, Y

STEROIDS 72 ( 14 ) 949 - 954 2007年12月

ISSN: 0039-128X

DOI
Phase stability change with Zr content in β-type Ti-Nb alloys

Abdel-Hady, M; Fuwa, H; Hinoshita, K; Kimura, H; Shinzato, Y; Morinaga, M

SCRIPTA MATERIALIA 57 ( 11 ) 1000 - 1003 2007年12月

ISSN: 1359-6462

DOI
Suppression of rectification at metal-Mott insulator interfaces

Yonemitsu, K; Maeshima, N; Hasegawa, T

PHYSICAL REVIEW B 76 ( 23 ) 2007年12月

ISSN: 2469-9950

DOI
Two-phase coexistence in the monovalent-to-divalent phase transition of dineopentylbiferrocene-fluorotetracyanoquinodimethane [npBifc-(F1TCNQ)3], charge-transfer salt

Uruichi, M; Yue, Y; Yakushi, K; Mochidai, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 12 ) 2007年12月

ISSN: 0031-9015

DOI
Excited states of GFP chromophore and active site studied by the SAC-CI method: Effect of protein-environment and mutations

Hasegawa, JY; Fujimoto, K; Swerts, B; Miyahara, T; Nakatsuji, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 28 ( 15 ) 2443 - 2452 2007年11月30日

ISSN: 0192-8651

DOI
The statistical-mechanics study for the distribution of water molecules in aquaporin

Phongphanphanee, S; Yoshida, N; Hirata, F

CHEMICAL PHYSICS LETTERS 449 ( 1-3 ) 196 - 201 2007年11月26日

ISSN: 0009-2614

DOI
Probing the electron delocalization in liquid water and ice at attosecond time scales

Nordlund, D; Ogasawara, H; Bluhm, H; Takahashi, O; Odelius, M; Nagasono, M; Pettersson, LGM; Nilsso … 全著者表示

PHYSICAL REVIEW LETTERS 99 ( 21 ) 2007年11月23日

ISSN: 0031-9007

DOI
Ultra-high field NMR studies of antibody binding and site-specific phosphorylation of α-synuclein

Sasakawa, H; Sakata, E; Yamaguchi, Y; Masuda, M; Mori, T; Kurimoto, E; Iguchi, T; Hisanaga, SI; Iwa … 全著者表示

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 363 ( 3 ) 795 - 799 2007年11月23日

ISSN: 0006-291X

DOI
Optical properties of pentacene and perfluoropentacene thin films

Hinderhofer, A; Heinemeyer, U; Gerlach, A; Kowarik, S; Jacobs, RMJ; Sakamoto, Y; Suzuki, T; Schreib … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 127 ( 19 ) 2007年11月21日

ISSN: 0021-9606

DOI
Aerobic oxidative dehydrogenation of coordinated imidazoline units of pincer ruthenium complex

Maeda, S; Koizumi, TA; Yamamoto, T; Tanaka, K; Kanbara, T

JOURNAL OF ORGANOMETALLIC CHEMISTRY 692 ( 24 ) 5495 - 5500 2007年11月15日

ISSN: 0022-328X

DOI
Deposition and fabrication of alkanethiolate gold nanocluster films on TiO2(110) and the effects of plasma etching

Matsumoto, T; Nickut, P; Sawada, T; Tsunoyama, H; Watanabe, K; Tsukuda, T; Al-Shamery, K; Matsumoto … 全著者表示

SURFACE SCIENCE 601 ( 22 ) 5121 - 5126 2007年11月15日

ISSN: 0039-6028

DOI
Development of analytic energy gradient method in nuclear orbital plus molecular orbital theory

Hoshino, M; Tsukamoto, Y; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 14 ) 2575 - 2585 2007年11月15日

ISSN: 0020-7608

DOI
Enumeration of topology-distinct structures and possible stable structures of protonated water clusters, H3O+(H2O)n-1 (n ≤ 5)

Jieli, M; Miyake, T; Aida, M

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 80 ( 11 ) 2131 - 2136 2007年11月15日

ISSN: 0009-2673

DOI
Nuclear orbital plus molecular orbital theory: Simultaneous determination of nuclear and electronic wave functions without Born-Oppenheimer approximation

Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 14 ) 2849 - 2869 2007年11月15日

ISSN: 0020-7608

DOI
Thermal and photochemical reactivity of oxygen atoms on gold nanocluster surfaces

Matsumoto, T; Nickut, P; Tsunoyama, H; Watanabe, K; Tsukuda, T; Al-Shamery, K; Matsumoto, Y

SURFACE SCIENCE 601 ( 22 ) 5226 - 5231 2007年11月15日

ISSN: 0039-6028

DOI
UV protection and singlet oxygen quenching activity of aloesaponarin I

Nagaoka, S; Fujii, A; Hino, M; Takemoto, M; Yasuda, M; Mishima, M; Ohara, K; Masumoto, A; Uno, H; N … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY B 111 ( 45 ) 13116 - 13123 2007年11月15日

ISSN: 1520-6106

DOI
A self-consistent first-principles calculation scheme for correlated electron systems

Kusakabe, K; Suzuki, N; Yamanaka, S; Yamaguchi, K

JOURNAL OF PHYSICS-CONDENSED MATTER 19 ( 44 ) 2007年11月07日

ISSN: 0953-8984

DOI
Aryl-substituted C3-bridged oligopyrroles as anion receptors for formation of supramolecular organogels

Maeda, H; Haketa, Y; Nakanishi, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 44 ) 13661 - 13674 2007年11月07日

ISSN: 0002-7863

DOI
Computed structures and relative stabilities of Be@C74

Slanina, Z; Uhlik, F; Lee, SL; Adamowicz, L; Nagase, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 13 ) 2494 - 2498 2007年11月05日

ISSN: 0020-7608

DOI
Electrostatic potential gap at the interface between triethylamine and water phases studied by molecular dynamics simulation

Kajimoto, S; Yoshii, N; Hobley, J; Fukumura, H; Okazaki, S

CHEMICAL PHYSICS LETTERS 448 ( 1-3 ) 70 - 74 2007年11月05日

ISSN: 0009-2614

DOI
Molecular orientation effects on two-photon absorption spectra of dimer systems

Ohta, S; Nakano, M; Nate, M; Kishi, R; Takahashi, H

CHEMICAL PHYSICS LETTERS 448 ( 1-3 ) 99 - 105 2007年11月05日

ISSN: 0009-2614

DOI
Photoinduced electron transfer in dye-sensitized solar cells: Modified Sakata-Hashimoto-Hiramoto model (MSHH)

Kitao, O

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 43 ) 15889 - 15902 2007年11月01日

ISSN: 1932-7447

DOI
Angle-dependent measurement of near edge X-ray absorption fine structure of annealing effect on local structure of focused-ion-beam chemical vapor deposition diamond-like carbon

Saikubo, A; Kanda, K; Kato, Y; Igaki, JY; Kometani, R; Matsui, S

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 46 ( 11 ) 7512 - 7513 2007年11月

ISSN: 0021-4922

DOI
Control of magnetism by isomerization of intercalated molecules in organic-inorganic hybrid systems

Kojima, N; Okubo, M; Shimizu, H; Enomoto, M

COORDINATION CHEMISTRY REVIEWS 251 ( 21-24 ) 2665 - 2673 2007年11月

ISSN: 0010-8545

DOI
Prediction of the structure of complexes comprised of proteins and glycosaminoglycans using docking simulation and cluster analysis

Takaoka, T; Mori, K; Okimoto, N; Neya, S; Hoshino, T

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 3 ( 6 ) 2347 - 2356 2007年11月

ISSN: 1549-9618

DOI
Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations

Chong, SH; Aichele, M; Meyer, H; Fuchs, M; Baschnagel, J

PHYSICAL REVIEW E 76 ( 5 ) 2007年11月

ISSN: 1539-3755

DOI
Supramolecular chemistry of acyclic oligopyrroles

Maeda, H

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2007 ( 32 ) 5313 - 5325 2007年11月

ISSN: 1434-193X

DOI
X-ray absorption near-edge structures of disordered Mg1-xZnxO solid solutions

Mizoguchi, T; Seko, A; Yoshiya, M; Yoshida, H; Yoshida, T; Ching, WY; Tanaka, I

PHYSICAL REVIEW B 76 ( 19 ) 2007年11月

ISSN: 2469-9950

DOI
Energy density analysis of the chemical bond between atoms in perovskite-type hydrides

Shinzato, Y; Yukawa, H; Morinaga, M; Baba, T; Nakai, H

JOURNAL OF ALLOYS AND COMPOUNDS 446 96 - 100 2007年10月31日

ISSN: 0925-8388

DOI
Raman scattering and lattice stability of NaAIH4 and Na3AlH6

Yukawa, H; Morisaku, N; Li, Y; Komiya, K; Rong, R; Shinzato, Y; Sekine, R; Morinaga, M

JOURNAL OF ALLOYS AND COMPOUNDS 446 242 - 247 2007年10月31日

ISSN: 0925-8388

DOI
Autoionization of the Ne+ Rydberg states formed via valence photoemission

Kaneyasu, T; Hikosaka, Y; Shigemasa, E; Penent, F; Lablanquie, P; Aoto, T; Ito, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 40 ( 20 ) 4047 - 4060 2007年10月28日

ISSN: 0953-4075

DOI
Photoelectron-photoion-photoion momentum spectroscopy as a direct probe of the core-hole localization in C 1s photoionization of C2H2

Adachi, J; Hosaka, K; Teramoto, T; Yamazaki, M; Watanabe, N; Takahashi, M; Yagishita, A

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 40 ( 20 ) F285 - F291 2007年10月28日

ISSN: 0953-4075

DOI
Energetics and electronic structures of carbon nanotubes with adatom-vacancy defects

Okada, S

CHEMICAL PHYSICS LETTERS 447 ( 4-6 ) 263 - 267 2007年10月25日

ISSN: 0009-2614

DOI
Theoretical analysis of the electronic asymmetry of the special pair in the photosynthetic reaction center: Effect of structural asymmetry and protein environment

Yamasaki, H; Nakamura, H; Takano, Y

CHEMICAL PHYSICS LETTERS 447 ( 4-6 ) 324 - 329 2007年10月25日

ISSN: 0009-2614

DOI
Appearance of interatomic coulombic decay in ar, kr, and xe homonuclear dimers

Lablanquie, P; Aoto, T; Hikosaka, Y; Morioka, Y; Penent, F; Ito, K

JOURNAL OF CHEMICAL PHYSICS 127 ( 15 ) 2007年10月21日

ISSN: 0021-9606

DOI
Visible fluorescence induced by the metal semiconductor transition in composites of carbon nanotubes with noble metal nanoparticles

Subramaniam, C; Sreeprasad, TS; Pradeep, T; Kumar, GVP; Narayana, C; Yajima, T; Sugawara, Y; Tanaka … 全著者表示

PHYSICAL REVIEW LETTERS 99 ( 16 ) 2007年10月19日

ISSN: 0031-9007

DOI
High-energy, narrow-bandwidth periodically poled Mg-doped LiNbO3 optical parametric oscillator with a volume Bragg grating

Saikawa, J; Fujii, M; Ishizuki, H; Taira, T

OPTICS LETTERS 32 ( 20 ) 2996 - 2998 2007年10月15日

ISSN: 0146-9592

DOI
Polyamorphic transformation of silicon in first-principles molecular-dynamics simulation

Morishita, T

JOURNAL OF NON-CRYSTALLINE SOLIDS 353 ( 32-40 ) 3463 - 3466 2007年10月15日

ISSN: 0022-3093

DOI
Thermosensitive gold nanoclusters stabilized by well-defined vinyl ether star polymers: Reusable and durable catalysts for aerobic alcohol oxidation

Kanaoka, S; Yagi, N; Fukuyama, Y; Aoshima, S; Tsunoyama, H; Tsukuda, T; Sakurai, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 40 ) 12060 - + 2007年10月10日

ISSN: 0002-7863

DOI
Nonequilibrium molecular dynamics calculation of the thermal conductivity of amorphous polyamide-6,6

Lussetti, E; Terao, T; Müller-Plathe, F

JOURNAL OF PHYSICAL CHEMISTRY B 111 ( 39 ) 11516 - 11523 2007年10月04日

ISSN: 1520-6106

DOI
Oligomeric gold clusters with vertex-sharing bi- and triicosahedral structures

Nobusada, K; Iwasa, T

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 39 ) 14279 - 14282 2007年10月04日

ISSN: 1932-7447

DOI
Anisole-diphenoxide Ligands and their zirconium dichloride and dialkyl complexes

Matsuo, T; Kawaguchi, H

INORGANIC CHEMISTRY 46 ( 20 ) 8426 - 8434 2007年10月01日

ISSN: 0020-1669

DOI
77Se NMR measurements of the π-d exchange field in the organic conductor λ-(BETS)2FeCl4

Wu, GQ; Clark, WG; Brown, SE; Brooks, JS; Kobayashi, A; Kobayashi, H

PHYSICAL REVIEW B 76 ( 13 ) 2007年10月

ISSN: 2469-9950

DOI
Effect of Zr4+ addition on photoluminescence properties of YPO4:Mn2+

Kitaura, M; Nakajima, Y; Kaneyoshi, M; Nakagawa, H

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 46 ( 10A ) 6691 - 6695 2007年10月

ISSN: 0021-4922

DOI
Electronic structure at highly ordered organic/metal interfaces: Pentacene on Cu(110)

Yamane, H; Yoshimura, D; Kawabe, E; Sumii, R; Kanai, K; Ouchi, Y; Ueno, N; Seki, K

PHYSICAL REVIEW B 76 ( 16 ) 2007年10月

ISSN: 2469-9950

DOI
Polaron dynamics in two types of long oligothiophenes revealed by Q- and X-band ESR measurements

Kanemoto, K; Furukawa, K; Negishi, N; Aso, Y; Otsubo, T

PHYSICAL REVIEW B 76 ( 15 ) 2007年10月

ISSN: 2469-9950

DOI
Quantum effects in a double-walled carbon nanotube capacitor

Uchida, K; Okada, S; Shiraishi, K; Oshiyama, A

PHYSICAL REVIEW B 76 ( 15 ) 2007年10月

ISSN: 2469-9950

DOI
Rational design of minimal artificial diels -: Alderases based on the Copper(II) Cation -: Aromatic π attractive interaction

Ishihara, K; Fushimi, N; Akakura, M

ACCOUNTS OF CHEMICAL RESEARCH 40 ( 10 ) 1049 - 1055 2007年10月

ISSN: 0001-4842

DOI
Remarkable functions of long-chain alkyl groups in halogen-bridged nickel(III) nanowire complexes

Ohtsu, H; Takaishi, S; Imamura, K; Ishii, A; Tanaka, K; Hasegawa, M; Yamashita, M

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 28 ) 4425 - 4428 2007年10月

ISSN: 1434-1948

DOI
Structural views of glycoprotein-fate determination in cells

Kato, K; Kamiya, Y

GLYCOBIOLOGY 17 ( 10 ) 1031 - 1044 2007年10月

ISSN: 0959-6658

DOI
Molecular dynamics analysis of interfacial structures and sum frequency generation spectra of aqueous hydrogen halide solutions

Ishiyama, T; Morita, A

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 38 ) 9277 - 9285 2007年09月27日

ISSN: 1089-5639

DOI
4f-5d absorption of gadolinium ions in sodium gadolinium tetrafluorides

Hirai, T; Hashimoto, S; Sakuragi, S; Ohno, N

CHEMICAL PHYSICS LETTERS 446 ( 1-3 ) 138 - 141 2007年09月26日

ISSN: 0009-2614

DOI
Assignments of the Mossbauer spectra of an inorganic [8fe-7S] complex based on the first-principle calculations

Shoji, M; Saito, T; Takeda, R; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 446 ( 1-3 ) 228 - 232 2007年09月26日

ISSN: 0009-2614

DOI
Photooxidation and reproduction of pentacene derivatives substituted by aromatic groups

Ono, K; Totani, H; Hiei, T; Yoshino, A; Saito, K; Eguchi, K; Tomura, M; Nishida, JI; Yamashita, Y

TETRAHEDRON 63 ( 39 ) 9699 - 9704 2007年09月24日

ISSN: 0040-4020

DOI
Second hyperpolarizabilities of singlet polycyclic diphenalenyl radicals: Effects of the nature of the central heterocyclic ring and substitution to diphenalenyl rings

Nakano, M; Nakagawa, N; Kishi, R; Ohta, S; Nate, M; Takahashi, H; Kubo, T; Kamada, K; Ohta, K; Cham … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 37 ) 9102 - 9110 2007年09月20日

ISSN: 1089-5639

DOI
Theory of time-resolved sum-frequency generation and its applications to vibrational dynamics of water

Hayashi, M; Shiu, YJ; Liang, KK; Lin, SH; Shen, YR

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 37 ) 9062 - 9069 2007年09月20日

ISSN: 1089-5639

DOI
Origin of magic stability of thiolated gold clusters:: A case study on Au25(SC6H13)18

Negishi, Y; Chaki, NK; Shichibu, Y; Whetten, RL; Tsukuda, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 37 ) 11322 - + 2007年09月19日

ISSN: 0002-7863

DOI
Facile and mass-producible fabrication of one-dimensional ag nanoparticle arrays

Nishijo, J; Oishi, O; Judai, K; Nishi, N

CHEMISTRY OF MATERIALS 19 ( 19 ) 4627 - 4629 2007年09月18日

ISSN: 0897-4756

DOI
Synthesis and photoluminescence properties of BF2 complexes with 1,3-diketone ligands

Ono, K; Yoshikawa, K; Tsuji, Y; Yamaguchi, H; Uozumi, R; Tomura, M; Taga, K; Saito, K

TETRAHEDRON 63 ( 38 ) 9354 - 9358 2007年09月17日

ISSN: 0040-4020

DOI
Size-dependent single electron tunneling effect in Au nanoparticles

Negishi, R; Hasegawa, T; Tanaka, H; Terabe, K; Ozawa, H; Ogawa, T; Aono, M

SURFACE SCIENCE 601 ( 18 ) 3907 - 3911 2007年09月15日

ISSN: 0039-6028

DOI
Canonical transformation theory from extended normal ordering

Yanai, T; Chan, GKL

JOURNAL OF CHEMICAL PHYSICS 127 ( 10 ) 2007年09月14日

ISSN: 0021-9606

DOI
Femtosecond time-resolved photo-absorption studies on the excitation dynamics of chromium(III) porphyrin complexes in solution

Inamo, M; Okabe, C; Nakabayashi, T; Nishi, N; Hoshino, M

CHEMICAL PHYSICS LETTERS 445 ( 4-6 ) 167 - 172 2007年09月13日

ISSN: 0009-2614

DOI
Accuracy control in ultra-large-scale electronic structure calculations

Hoshi, T

JOURNAL OF PHYSICS-CONDENSED MATTER 19 ( 36 ) 2007年09月12日

ISSN: 0953-8984

DOI
Energetics and electronic structure of armchair nanotubes with topological line defects

Okada, S; Nakada, K; Kawai, T

JOURNAL OF PHYSICS-CONDENSED MATTER 19 ( 36 ) 2007年09月12日

ISSN: 0953-8984

DOI
Quantum effects in a cylindrical carbon-nanotube capacitor

Uchida, K; Okada, S; Shiraishi, K; Oshiyama, A

JOURNAL OF PHYSICS-CONDENSED MATTER 19 ( 36 ) 2007年09月12日

ISSN: 0953-8984

DOI
Synthesis and structure of pentaorganostannate having five carbon substituents

Saito, M; Imaizumi, S; Tajima, T; Lshimura, K; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 36 ) 10974 - + 2007年09月12日

ISSN: 0002-7863

DOI
Efficient numerical method for calculating exciton states in quantum boxes

Kubota, Y; Nobusada, K

PHYSICS LETTERS A 369 ( 1-2 ) 128 - 131 2007年09月10日

ISSN: 0375-9601

DOI
Theoretical determination of hypervalent bond energy of 10-S-3 sulfurane derivatives

Yamauchi, Y; Akiba, K; Nakai, H

CHEMISTRY LETTERS 36 ( 9 ) 1120 - 1121 2007年09月05日

ISSN: 0366-7022

DOI
B-doped diamond: Superconductivity without Fermi surface

Ohta, Y; Shirakawa, T; Horiuchi, S; Fukuyama, H

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 460 121 - 124 2007年09月01日

ISSN: 0921-4534

DOI
Spin-triplet f-wave pairing in the one-dimensional triangular-lattice Hubbard model: Possible relevance to superconductivity in Bechgaard salts

Ohta, Y; Nishimoto, S; Shirakawa, T

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 460 246 - 247 2007年09月01日

ISSN: 0921-4534

DOI
Spin-triplet superconductivity in the Hubbard chains coupled with ferromagnetic exchange interaction

Nishimoto, S; Shirakawa, T; Ohta, Y

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 460 1059 - 1060 2007年09月01日

ISSN: 0921-4534

DOI
Asymmetric allylic substitution of cycloalkenyl esters in water with an amphiphilic resin-supported chiral palladium complex

Uozumi, Y

PURE AND APPLIED CHEMISTRY 79 ( 9 ) 1481 - 1489 2007年09月

ISSN: 0033-4545

DOI
Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals

Imamura, Y; Otsuka, T; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 28 ( 12 ) 2067 - 2074 2007年09月

ISSN: 0192-8651

DOI
Effects of hole doping on selectivity of naphthalene towards single-wall carbon nanotubes

Wang, D; Lu, J; Lai, L; Ni, M; Mei, WN; Li, G; Nagase, S; Maeda, Y; Akasaka, T; Gao, Z; Zhou, Y

COMPUTATIONAL MATERIALS SCIENCE 40 ( 3 ) 354 - 358 2007年09月

ISSN: 0927-0256

DOI
Finite-field spin-flip configuration interaction calculation of the second hyperpolarizabilities of singlet diradical systems

Kishi, R; Nakano, M; Ohta, S; Takebe, A; Nate, M; Takahashi, H; Kubo, T; Kamada, K; Ohta, K; Champa … 全著者表示

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 3 ( 5 ) 1699 - 1707 2007年09月

ISSN: 1549-9618

DOI
Genetic nanomedicine and tissue engineering

Wei, CM; Yamato, M; Wei, WC; Zhao, XJ; Tsumoto, K; Yoshimura, T; Ozawa, T; Chen, YJ

MEDICAL CLINICS OF NORTH AMERICA 91 ( 5 ) 889 - + 2007年09月

ISSN: 0025-7125

DOI
Implementation of divide-and-conquer method including Hartree-Fock exchange interaction

Akama, T; Kobayashi, M; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 28 ( 12 ) 2003 - 2012 2007年09月

ISSN: 0192-8651

DOI
New advances in nanomedicine: Diagnosis and preventive medicine

Wei, CM; Nagai, T; Wei, WC; Nemoto, T; Awais, M; Niwa, O; Kurita, R; Baba, Y

MEDICAL CLINICS OF NORTH AMERICA 91 ( 5 ) 871 - + 2007年09月

ISSN: 0025-7125

DOI
Path integral hybrid Monte Carlo study on structure of small helium-4 clusters doped with a linear molecule

Miura, S

JOURNAL OF LOW TEMPERATURE PHYSICS 148 ( 5-6 ) 839 - 843 2007年09月

ISSN: 0022-2291

DOI
Photo-response behavior of Au nano-particle/porphyrin polymer composite device with nano-gapped electrodes

Ogawa, T; Ozawa, H; Kawao, M; Tanaka, H

JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS 18 ( 9 ) 939 - 942 2007年09月

ISSN: 0957-4522

DOI
Proposed design principle of fluoride-based materials for deep ultraviolet light emitting devices

Sarukura, N; Murakami, H; Estacio, E; Ono, SG; El Ouenzerfi, R; Cadatal, M; Nishimatsu, T; Terakubo … 全著者表示

OPTICAL MATERIALS 30 ( 1 ) 15 - 17 2007年09月

ISSN: 0925-3467

DOI
Single, double, and triple Auger decay of the Xe 4p core-hole states

Hikosaka, Y; Lablanquie, P; Penent, F; Kaneyasu, T; Shigemasa, E; Eland, JHD; Aoto, T; Ito, K

PHYSICAL REVIEW A 76 ( 3 ) 2007年09月

ISSN: 1050-2947

DOI
Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin

Imai, T; Ohyama, S; Kovalenko, A; Hirata, F

PROTEIN SCIENCE 16 ( 9 ) 1927 - 1933 2007年09月

ISSN: 0961-8368

DOI
Why semiconducting single-watted carbon nanotubes are separated from their metaltic counterparts

Lu, J; Lai, L; Luo, G; Zhou, J; Qin, R; Wang, D; Wang, L; Mei, WN; Li, G; Gao, Z; Nagase, S; Maeda, … 全著者表示

SMALL 3 ( 9 ) 1566 - 1576 2007年09月

ISSN: 1613-6810

DOI
Unfolding pathways of goat α-lactalbumin as revealed in multiple alignment of molecular dynamics trajectories

Oroguchi, T; Ikeguchi, M; Ota, M; Kuwajima, K; Kidera, A

JOURNAL OF MOLECULAR BIOLOGY 371 ( 5 ) 1354 - 1364 2007年08月31日

ISSN: 0022-2836

DOI
Bisindolylmaleimides with large stokes shift and long-lasting chemiluminescence properties

Nakazono, M; Nanbu, S; Uesaki, A; Kuwano, R; Kashiwabara, M; Zaitsu, K

ORGANIC LETTERS 9 ( 18 ) 3583 - 3586 2007年08月30日

ISSN: 1523-7060

DOI
Relative partial cross sections for single, double, and triple photoionization of C60 and C70

Mitsuke, K; Katayanagi, H; Kafle, BP; Huang, C; Yagi, H; Prodhan, MSI; Kubozono, Y

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 34 ) 8336 - 8343 2007年08月30日

ISSN: 1089-5639

DOI
The stability and electronic structure of single-walled ZnO nanotubes by density functional theory

Wang, B; Nagase, S; Zhao, J; Wang, G

NANOTECHNOLOGY 18 ( 34 ) 2007年08月29日

ISSN: 0957-4484

DOI
Theoretical study of the two-photon absorption properties of several asymmetrically substituted stilbenoid molecules

Ohta, K; Antonov, L; Yamada, S; Kamada, K

JOURNAL OF CHEMICAL PHYSICS 127 ( 8 ) 2007年08月28日

ISSN: 0021-9606

DOI
Development of a convoluted polymeric nanopalladium catalyst:: α-alkylation of ketones and ring-opening alkylation of cyclic 1,3-diketones with primary alcohols

Yamada, YMA; Uozumi, Y

TETRAHEDRON 63 ( 35 ) 8492 - 8498 2007年08月27日

ISSN: 0040-4020

DOI
Molecular simulation study on adsorption of methanol/water mixtures in mesoporous silicas modified pore surface silylation

Aoyama, N; Yoshihara, T; Furukawa, S; Nitta, T; Takahashi, H; Nakano, M

FLUID PHASE EQUILIBRIA 257 ( 2 ) 212 - 216 2007年08月25日

ISSN: 0378-3812

DOI
Non-equilibrium molecular dynamics simulation study on permeation phenomena of LJ particles in slit-shaped membranes with periodic belt-like heterogeneous surfaces

Yonemori, K; Takitani, A; Furukawa, S; Nitta, T; Takahashi, H; Nakano, M

FLUID PHASE EQUILIBRIA 257 ( 2 ) 190 - 194 2007年08月25日

ISSN: 0378-3812

DOI
Two-dimensional pattern reverse Monte Carlo method for modelling the structures of nano-particles in uniaxial elongated rubbers

Hagita, K; Arai, T; Kishimoto, H; Umesaki, N; Shinohara, Y; Amemiya, Y

JOURNAL OF PHYSICS-CONDENSED MATTER 19 ( 33 ) 2007年08月22日

ISSN: 0953-8984

DOI
Alternative linear-scaling methodology for the second-order Moller-Plesset perturbation calculation based on the divide-and-conquer method

Kobayashi, M; Imamura, Y; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 127 ( 7 ) 2007年08月21日

ISSN: 0021-9606

DOI
Structure and ligand binding properties of myoglobins reconstituted with monodepropionated heme: Functional role of each heme propionate side Chain

Harada, K; Makino, M; Sugimoto, H; Hirota, S; Matsuo, T; Shiro, Y; Hisaeda, Y; Hayashi, T

BIOCHEMISTRY 46 ( 33 ) 9406 - 9416 2007年08月21日

ISSN: 0006-2960

DOI
Spectroscopy of Ru(II) polypyridyl complexes used as intercalators in DNA:: Towards a theoretical study of the light switch effect

Atsumi, M; González, L; Daniel, C

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 190 ( 2-3 ) 310 - 320 2007年08月15日

ISSN: 1010-6030

DOI
Possible mechanism of proton transfer through peptide groups in the H-pathway of the bovine cytochrome c oxidase

Kamiya, K; Boero, M; Tateno, M; Shiraishi, K; Oshiyama, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 31 ) 9663 - 9673 2007年08月08日

ISSN: 0002-7863

DOI
Scheme of detecting microscopic inhomogeneity in binary liquid mixtures utilizing resonantly coupled vibrational modes

Torii, H

JOURNAL OF CHEMICAL PHYSICS 127 ( 5 ) 2007年08月07日

ISSN: 0021-9606

DOI
The first observation of photoinduced tuning of AC magnetization for organic-inorganic hybrid materials composed of Mn12-acetate and azobenzene

Akitsu, T; Nishijo, J

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 315 ( 2 ) 95 - 100 2007年08月07日

ISSN: 0304-8853

DOI
Activation parameters for cyclohexene oxygenation by an oxoiron(IV) porphyrin π-cation radical complex:: Entropy control of an allylic hydroxylation reaction

Takahashi, A; Kurahashi, T; Fujii, H

INORGANIC CHEMISTRY 46 ( 16 ) 6227 - 6229 2007年08月06日

ISSN: 0020-1669

DOI
Infrared reflection-absorption spectroscopy of Alq3 thin film on silver surface using synchrotron radiation

Sakurai, Y; Kimura, SI; Seki, K

APPLIED PHYSICS LETTERS 91 ( 6 ) 2007年08月06日

ISSN: 0003-6951

DOI
Remarkable suppression of the excited-state double-proton transfer in the 7-azaindole dimer due to substitution of the dimethylamino group studied by electronic spectroscopy in the gas phase

Zhang, X; Komoto, Y; Sakota, K; Masayuki, N; Shinmyozu, T; Nanbu, S; Nakano, H; Sekiya, H

CHEMICAL PHYSICS LETTERS 443 ( 4-6 ) 194 - 198 2007年08月06日

ISSN: 0009-2614

DOI
Chiral effects on magnetic properties for chiral and racemic WV-CuII Prussian blue analogues

Higashikawa, H; Okuda, K; Kishine, JI; Masuhara, N; Inoue, K

CHEMISTRY LETTERS 36 ( 8 ) 1022 - 1023 2007年08月05日

ISSN: 0366-7022

DOI
Resistance measurements of microcrystals of single-component molecular metals using finely patterned interdigitated electrodes

Tanaka, H; Hara, S; Tokumoto, M; Kobayashi, A; Kobayashi, H

CHEMISTRY LETTERS 36 ( 8 ) 1006 - 1007 2007年08月05日

ISSN: 0366-7022

DOI
Theoretical study of the change in the magnetism and conductivity of diethylspirobiphenalenyl

Takenaka, M; Taniguchi, T; Kawakami, T; Kitagawa, Y; Okumura, M; Yamaguchi, K

CHEMISTRY LETTERS 36 ( 8 ) 1000 - 1001 2007年08月05日

ISSN: 0366-7022

DOI
Extraction of metallic nanotubes of zeolite-supported single-walled carbon nanotubes synthesized from alcohol

Maeda, Y; Hashimoto, M; Hasegawa, T; Kanda, M; Tsuchiya, T; Wakahara, T; Akasaka, T; Miyauchi, Y; M … 全著者表示

NANO 2 ( 4 ) 221 - 226 2007年08月

ISSN: 1793-2920

DOI
Low-energy electrodynamics of heavy quasiparticles in ZrZn2

Kimura, SI; Kimura, N; Aoki, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 8 ) 2007年08月

ISSN: 0031-9015

DOI
Monochromatic tunable Compton scattering X-ray source using X-band multi-bunch linac and YAG laser circulation system

Uesaka, M; Sakamoto, F; Dobashi, K; Kaneyasu, T; Yamamoto, T; Meng, D; Urakawa, J; Higo, T; Akemoto … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 261 ( 1-2 ) 867 - 870 2007年08月

ISSN: 0168-583X

DOI
Photoinduced melting of charge order in a quarter-filled electron system coupled with different types of phonons

Yonemitsu, K; Maeshima, N

PHYSICAL REVIEW B 76 ( 7 ) 2007年08月

ISSN: 2469-9950

DOI
Multielectron coincidence spectroscopy for core-valence doubly ionized states of CO

Hikosaka, Y; Kaneyasu, T; Shigemasa, E; Lablanquie, P; Penent, F; Ito, K

JOURNAL OF CHEMICAL PHYSICS 127 ( 4 ) 2007年07月28日

ISSN: 0021-9606

DOI
First and second hyperpolarizabilities of donor-acceptor disubstituted diphenalenyl radical systems

Nakano, M; Ohta, S; Tokushima, K; Kishi, R; Kubo, T; Kamada, K; Ohta, K; Champagne, B; Botek, E; Ta … 全著者表示

CHEMICAL PHYSICS LETTERS 443 ( 1-3 ) 95 - 101 2007年07月27日

ISSN: 0009-2614

DOI
Synthesis of normal and inverted gold-silver core-shell architectures in β-cyclodextrin and their applications in SERS

Pande, S; Ghosh, SK; Praharaj, S; Panigrahi, S; Basu, S; Jana, S; Pal, A; Tsukuda, T; Pal, T

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 29 ) 10806 - 10813 2007年07月26日

ISSN: 1932-7447

DOI
Metal-organic frameworks from copper dimers with cis- and trans-1,4-cyclohexanedicarboxylate and cis,cis-1,3,5-cyclohexanetricarboxylate

Kumagai, H; Akita-Tanaka, M; Inoue, K; Takahashi, K; Kobayashi, H; Vilminot, S; Kurmoo, M

INORGANIC CHEMISTRY 46 ( 15 ) 5949 - 5956 2007年07月23日

ISSN: 0020-1669

DOI
Relationship between third-order nonlinear optical properties and magnetic interactions in open-shell systems: A new paradigm for nonlinear optics

Nakano, M; Kishi, R; Ohta, S; Takahashi, H; Kubo, T; Kamada, K; Ohta, K; Botek, E; Champagne, B

PHYSICAL REVIEW LETTERS 99 ( 3 ) 2007年07月20日

ISSN: 0031-9007

DOI
Red light in chemiluminescence and yellow-green light in bioluminescence:: Color-tuning mechanism of firefly, Photinus pyralis, studied by the symmetry-adapted cluster-configuration interaction method

Nakatani, N; Hasegawa, JY; Nakatsuji, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 28 ) 8756 - 8765 2007年07月18日

ISSN: 0002-7863

DOI
Approximately spin-projected geometry optimization method and its application to di-chromium systems

Kitagawa, Y; Saito, T; Ito, M; Shoji, M; Koizumi, K; Yamanaka, S; Kawakami, T; Okumura, M; Yamaguch … 全著者表示

CHEMICAL PHYSICS LETTERS 442 ( 4-6 ) 445 - 450 2007年07月17日

ISSN: 0009-2614

DOI
Calculation of vibronic coupling constant and vibronic coupling density analysis

Tokunaga, K; Sato, T; Tanaka, K

JOURNAL OF MOLECULAR STRUCTURE 838 ( 1-3 ) 116 - 123 2007年07月16日

ISSN: 0022-2860

DOI
Do lead analogues of alkynes take a multiply bonded structure?

Takagi, N; Nagase, S

ORGANOMETALLICS 26 ( 15 ) 3627 - 3629 2007年07月16日

ISSN: 0276-7333

DOI
Theoretical design of monofunctional psoralen compounds in photochemotherapy

Nakata, A; Baba, T; Nakai, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 80 ( 7 ) 1341 - 1349 2007年07月15日

ISSN: 0009-2673

DOI
Geometric and electronic structures of NO dimer layers on Rh(111) studied with near edge X-ray absorption fine structure spectroscopy: Experiment and theory

Nakai, I; Kondoh, H; Shimada, T; Yokota, R; Katayama, T; Ohta, T; Kosugi, N

JOURNAL OF CHEMICAL PHYSICS 127 ( 2 ) 2007年07月14日

ISSN: 0021-9606

DOI
Computational characterization of structural role of the non-active site mutation M36I of human immunodeficiency virus type 1 protease

Ode, H; Matsuyama, S; Hata, M; Neya, S; Kakizawa, J; Sugiura, W; Hoshino, T

JOURNAL OF MOLECULAR BIOLOGY 370 ( 3 ) 598 - 607 2007年07月13日

ISSN: 0022-2836

DOI
Infrared photodissociation spectroscopy of Al+(CH3OH)n (n=1-4)

Furuya, A; Tsuruta, M; Misaizu, F; Ohno, K; Inokuchi, Y; Judai, K; Nishi, N

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 27 ) 5995 - 6002 2007年07月12日

ISSN: 1089-5639

DOI
Stern-Gerlach experiments of one-dimensional metal-benzene sandwich clusters:: Mn(C6H6)m (M = Al, Sc, Ti, and V)

Miyajima, K; Yabushita, S; Knickelbein, MB; Nakajima, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 27 ) 8473 - 8480 2007年07月11日

ISSN: 0002-7863

DOI
Symmetry of the electronic and geometric structures of metallofullerene M@C74 (M = Be, Mg, Ca, Sr, and Ba) in terms of vibronic coupling

Sato, T; Kuzumoto, Y; Tokunaga, K; Imahori, H; Tanaka, K

CHEMICAL PHYSICS LETTERS 442 ( 1-3 ) 47 - 52 2007年07月06日

ISSN: 0009-2614

DOI
Features of fluorescence spectra of polyethylene 2,6-naphthalate films

Ouchi, I; Nakai, I; Ono, M; Kimura, S

JOURNAL OF APPLIED POLYMER SCIENCE 105 ( 1 ) 114 - 121 2007年07月05日

ISSN: 0021-8995

DOI
Kinetic resolution of racemic alcohols catalyzed by minimal artificial acylases derived from L-histidine

Kosugi, Y; Akakura, M; Ishihara, K

TETRAHEDRON 63 ( 27 ) 6191 - 6203 2007年07月02日

ISSN: 0040-4020

DOI
The anomeric effect revisited.: A possible role of the CH/n hydrogen bond

Takahashi, O; Yamasaki, K; Kohno, Y; Ohtaki, R; Ueda, K; Suezawa, H; Umezawa, Y; Nishio, M

CARBOHYDRATE RESEARCH 342 ( 9 ) 1202 - 1209 2007年07月02日

ISSN: 0008-6215

DOI
An efficient numerical method for exciton states in quantum boxes

Kubota, Y; Nobusada, K

COMPUTER PHYSICS COMMUNICATIONS 177 ( 1-2 ) 43 - 43 2007年07月

ISSN: 0010-4655

DOI
Charge-transfer excitations in one-dimensional dimerized mott insulators

Maeshima, N; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 7 ) 2007年07月

ISSN: 0031-9015

DOI
Coherent harmonic generation on UVSOR-II storage ring

Labat, M; Hosaka, M; Mochihashi, A; Shimada, M; Katoh, M; Lambert, G; Hara, T; Takashima, Y; Coupri … 全著者表示

EUROPEAN PHYSICAL JOURNAL D 44 ( 1 ) 187 - 200 2007年07月

ISSN: 1434-6060

DOI
Coordination and solvation of noble metal ions:: Infrared spectroscopy of Ag+(H2O)n

Iino, T; Ohashi, K; Inoue, K; Judai, K; Nishi, N; Sekiya, H

EUROPEAN PHYSICAL JOURNAL D 43 ( 1-3 ) 37 - 40 2007年07月

ISSN: 1434-6060

DOI
Electric currents in ring-shaped molecules induced by circularly polarized laser pulses

Nobusada, K; Yabana, K

COMPUTER PHYSICS COMMUNICATIONS 177 ( 1-2 ) 54 - 54 2007年07月

ISSN: 0010-4655

DOI
Electronic structure calculations at constant chemical potential toward the application to electrochemistry

Shiratori, K; Nobusada, K

COMPUTER PHYSICS COMMUNICATIONS 177 ( 1-2 ) 47 - 47 2007年07月

ISSN: 0010-4655

DOI
Electronic structure of dendrimer-encapsulated Au nanocluster

Imamura, M; Miyashita, T; Tanaka, A; Yasuda, H; Negishi, Y; Tsukuda, T

EUROPEAN PHYSICAL JOURNAL D 43 ( 1-3 ) 233 - 236 2007年07月

ISSN: 1434-6060

DOI
Extension of the core-valence-rydberg B3LYP functional to core-excited-state calculations of third-row atoms

Nakata, A; Imamura, Y; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 3 ( 4 ) 1295 - 1305 2007年07月

ISSN: 1549-9618

DOI
In situ high-resolution valence photoelectron spectra of a peanut-shaped C60 polymer

Onoe, J; Ito, T; Kimura, S; Ohno, K

EUROPEAN PHYSICAL JOURNAL D 43 ( 1-3 ) 141 - 142 2007年07月

ISSN: 1434-6060

DOI
Nongenomic activity of ligands in the association of androgen receptor with Src

Kim, SB; Kanno, A; Ozawa, T; Tao, H; Umezawa, Y

ACS CHEMICAL BIOLOGY 2 ( 7 ) 484 - 492 2007年07月

ISSN: 1554-8929

DOI
Optical and photoelectron spectroscopic studies of alkyl-passivated silicon nanoparticles

Tanaka, A; Saito, R; Kamikake, T; Imamura, M; Yasuda, H

EUROPEAN PHYSICAL JOURNAL D 43 ( 1-3 ) 229 - 232 2007年07月

ISSN: 1434-6060

DOI
Photo-induced evolution of copper sheets from cluster molecules and its application to photolithographic copper patterning

Nishi, N; Nishijo, J; Judai, K; Okabe, C; Oishi, O

EUROPEAN PHYSICAL JOURNAL D 43 ( 1-3 ) 287 - 290 2007年07月

ISSN: 1434-6060

DOI
Photoinduced dissociation reactions of silver fluoride cluster ions

Hori, N; Furuya, A; Tsuruta, M; Misaizu, F; Ohno, K

EUROPEAN PHYSICAL JOURNAL D 43 ( 1-3 ) 41 - 44 2007年07月

ISSN: 1434-6060

DOI
Read and write amplitude and phase information by using high-precision molecular wave-packet interferometry

Katsuki, H; Hosaka, K; Chiba, H; Ohmori, K

PHYSICAL REVIEW A 76 ( 1 ) 2007年07月

ISSN: 1050-2947

DOI
Reconstitution of the water-oxidizing complex in manganese-depleted photosystem II preparations using synthetic binuclear Mn(II) and Mn(IV) complexes: production of hydrogen peroxide

Nagata, T; Nagasawa, T; Zharmukhamedov, SK; Klimov, VV; Allakhverdiev, SI

PHOTOSYNTHESIS RESEARCH 93 ( 1-3 ) 133 - 138 2007年07月

ISSN: 0166-8595

DOI
State-selective cross sections of multiple photoionization in Ne

Kaneyasu, T; Hikosaka, Y; Shigemasa, E; Penent, F; Lablanquie, P; Aoto, T; Ito, K

PHYSICAL REVIEW A 76 ( 1 ) 2007年07月

ISSN: 1050-2947

DOI
Structure and magnetism in carbon nanotubes including magnetic wire

Shiroishi, H; Oda, T; Sakashita, H; Fujima, N

EUROPEAN PHYSICAL JOURNAL D 43 ( 1-3 ) 129 - 132 2007年07月

ISSN: 1434-6060

DOI
Water transport in aquaporins: osmotic permeability matrix analysis of molecular dynamics simulations

Hashido, M; Kidera, A; Ikeguchi, M

BIOPHYSICAL JOURNAL 93 ( 2 ) 373 - 385 2007年07月

ISSN: 0006-3495

DOI
Calculation of K-edge circular dichroism of amino acids:: Comparison of random phase approximation with other methods

Kimberg, V; Kosugi, N

JOURNAL OF CHEMICAL PHYSICS 126 ( 24 ) 2007年06月28日

ISSN: 0021-9606

DOI
Investigation of the electronic spectra and excited-state geometries of poly(para-phenylene vinylene) (PPV) and poly(para-phenylene) (PP) by the symmetry-adapted cluster configuration interaction (SAC-CI) method

Saha, B; Ehara, M; Nakatsuji, H

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 25 ) 5473 - 5481 2007年06月28日

ISSN: 1089-5639

DOI
Reactivity of a disilyne RSiSiR (R = SiiPr[CH(SiMe3)2]2) toward π-bonds:: Stereospecific addition and a new route to an isolable 1,2-disilabenzene

Kinjo, R; Ichinohe, M; Sekiguchi, A; Takagi, N; Sumimoto, M; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 25 ) 7766 - + 2007年06月27日

ISSN: 0002-7863

DOI
Gold-thiolate core-in-cage cluster Au25(SCH3)18 shows localized spins in charged states

Iwasa, T; Nobusada, K

CHEMICAL PHYSICS LETTERS 441 ( 4-6 ) 268 - 272 2007年06月25日

ISSN: 0009-2614

DOI
SAC-CI theoretical study on the excited states of lumiflavin: Structure, excitation spectrum, and solvation effect

Hasegawa, J; Bureekaew, S; Nakatsuji, H

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 189 ( 2-3 ) 205 - 210 2007年06月25日

ISSN: 1010-6030

DOI
Theoretical prediction of the S1-S0 internal conversion of 6-cyanoazulene

Amatatsu, Y

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 24 ) 5327 - 5332 2007年06月21日

ISSN: 1089-5639

DOI
A GSO-HDFT study of noncollinear spin structures of [2Fe-2S] cluster

Shoji, M; Koizumi, K; Takeda, R; Kitagawa, Y; Yamanaka, S; Okumura, M; Yamaguchi, K

POLYHEDRON 26 ( 9-11 ) 2335 - 2341 2007年06月15日

ISSN: 0277-5387

DOI
A family of porous magnets, [M3(HCOO)6] (M = Mn, Fe, Co and Ni)

Wang, ZM; Zhang, B; Zhang, YJ; Kurmoo, M; Liu, T; Gao, S; Kobayashi, H

POLYHEDRON 26 ( 9-11 ) 2207 - 2215 2007年06月15日

ISSN: 0277-5387

DOI
Ab initio studies on the zero-field splitting parameters of manganese porphyrin complexes

Takeda, R; Koizumi, K; Shoji, M; Nitta, H; Yamanaka, S; Okumura, M; Yamaguchi, K

POLYHEDRON 26 ( 9-11 ) 2309 - 2312 2007年06月15日

ISSN: 0277-5387

DOI
CASCI-DFT study of the phenalenyl radical system

Ukai, T; Nakata, K; Yamanaka, S; Kubo, T; Morita, Y; Takada, T; Yamaguchi, K

POLYHEDRON 26 ( 9-11 ) 2313 - 2319 2007年06月15日

ISSN: 0277-5387

DOI
Dissociation mechanisms of cluster ions resolved using ab-initio molecular orbital calculations

Nakagawa, ST; Suzue, I; Itoh, M; Kageyama, M; Mizuno, Y; Whitlow, HJ

JOURNAL OF NUCLEAR MATERIALS 363 1289 - 1293 2007年06月15日

ISSN: 0022-3115

DOI
Dual-function molecular crystal containing the magnetic chain anion [FeIII(C2O4)Cl2-]n

Zhang, B; Wang, ZM; Zhang, Y; Kobayashi, H; Kurmoo, M; Mori, T; Pratt, FL; Inoue, K; Zhu, DB

POLYHEDRON 26 ( 9-11 ) 1800 - 1804 2007年06月15日

ISSN: 0277-5387

DOI
The formation of hydrogen bond in the proximal heme pocket of HemAT-Bs upon ligand binding

Yoshimura, H; Yoshioka, S; Mizutani, Y; Aono, S

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 357 ( 4 ) 1053 - 1057 2007年06月15日

ISSN: 0006-291X

DOI
Theoretical studies of d-d magnetic interaction in organic superconductors

Takenaka, M; Nishimura, Y; Kawakami, T; Kitagawa, Y; Okumura, M; Yamaguchi, K

POLYHEDRON 26 ( 9-11 ) 2304 - 2308 2007年06月15日

ISSN: 0277-5387

DOI
Theoretical studies of magnetic interaction of organic π-radicals on gold cluster surface

Okumura, M; Kitagawa, Y; Kawakami, T; Yamaguchi, K

POLYHEDRON 26 ( 9-11 ) 2179 - 2182 2007年06月15日

ISSN: 0277-5387

DOI
Theoretical studies of radical spin arrangements in the cavity of nano-porous complexes

Kawakami, T; Takamizawa, S; Takenaka, M; Nishimura, Y; Kitagawa, Y; Okumura, M; Mori, W; Yamaguchi, … 全著者表示

POLYHEDRON 26 ( 9-11 ) 2367 - 2374 2007年06月15日

ISSN: 0277-5387

DOI
Theoretical studies on ferromagnetic behavior of [Cr(C5(CH3)5)2]+[TCNE]- and [Mn(C5(CH3)5)2]+[TCNQ]-

Koizumi, K; Shoji, M; Kitagawa, Y; Takeda, R; Yamanaka, S; Kawakami, T; Okumura, M; Yamaguchi, K

POLYHEDRON 26 ( 9-11 ) 2135 - 2141 2007年06月15日

ISSN: 0277-5387

DOI
Theoretical studies on relation among structures, electric structures and magnetic interactions in MMX complexes

Kitagawa, Y; Shoji, M; Koizumi, K; Kawakami, T; Okumura, M; Yamaguchi, K

POLYHEDRON 26 ( 9-11 ) 2154 - 2160 2007年06月15日

ISSN: 0277-5387

DOI
Theory of chemical bonds in metalloenzymes VI: Manganese-oxo bonds in the photosynthesis II system

Yamaguchi, K; Yamanaka, S; Isobe, H; Shoji, M; Koizumi, K; Kitagawa, Y; Kawakami, T; Okumura, M

POLYHEDRON 26 ( 9-11 ) 2216 - 2224 2007年06月15日

ISSN: 0277-5387

DOI
Core-valence multiply excited states in N2 probed by detecting metastable fragments

Hikosaka, Y; Gejo, T; Tamura, T; Honma, K; Tamenori, Y; Shigemasa, E

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 40 ( 11 ) 2091 - 2097 2007年06月14日

ISSN: 0953-4075

DOI
Thiolate-induced structural reconstruction of gold clusters probed by 197Au Mossbauer spectroscopy

Ikeda, K; Kobayashi, Y; Negishi, Y; Seto, M; Iwasa, T; Nobusada, K; Tsukuda, T; Kojima, N

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 23 ) 7230 - + 2007年06月13日

ISSN: 0002-7863

DOI
Computational evaluation of the relative production yields in theX@C74 series (X = Ca, Sr, Ba)

Slanina, Z; Uhlík, H; Nagase, S

CHEMICAL PHYSICS LETTERS 440 ( 4-6 ) 259 - 262 2007年06月08日

ISSN: 0009-2614

DOI
Theoretical study of solvent effect on diastereo selectivity in protonation of methyl 3-fluorobutanoate anion by ethanol: Application of the 3D-RISM theory

Ikuta, Y; Maruyama, Y; Hirata, F; Tomoda, S

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 811 ( 1-3 ) 183 - 190 2007年06月01日

ISSN: 0166-1280

DOI
Unique peroxidase reaction mechanism in prostaglandin endoperoxide H synthase-2 -: Compound I in prostaglandin endoperoxide H synthase-2 can be formed without assistance by distal glutamine residue

Ichimura, S; Uchida, T; Taniguchi, S; Hira, S; Tosha, T; Morishima, I; Kitagawa, T; Ishimori, K

JOURNAL OF BIOLOGICAL CHEMISTRY 282 ( 22 ) 16681 - 16690 2007年06月01日

ISSN: 0021-9258

DOI
An approach towards artificial quinone pools by use of photoand redox-active dendritic molecules

Nagata, T; Kikuzawa, Y

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1767 ( 6 ) 648 - 652 2007年06月

ISSN: 0005-2728

DOI
Characteristics of Nd3+-doped Y3ScAl4O12 ceramic laser

Sato, Y; Saikawa, J; Taira, T; Ikesue, A

OPTICAL MATERIALS 29 ( 10 ) 1277 - 1282 2007年06月

ISSN: 0925-3467

DOI
Charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4:: Cooperative effects of electron correlations and lattice distortions

Miyashita, S; Yonemitsu, K

PHYSICAL REVIEW B 75 ( 24 ) 2007年06月

ISSN: 1098-0121

DOI
Effect of nominal composition on transport, optical, magnetic, and thermodynamic properties of SmS single crystals

Matsubayashi, K; Imura, K; Suzuki, HS; Mizuno, T; Kimura, S; Nishioka, T; Kodama, K; Sato, NK

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 6 ) 2007年06月

ISSN: 0031-9015

DOI
Electronic structure and stability of the Pd-Ni-P bulk metallic glass

Takeuchi, T; Fukamaki, D; Miyazaki, H; Soda, K; Hasegawa, M; Sato, H; Mizutani, U; Ito, T; Kimura, S

MATERIALS TRANSACTIONS 48 ( 6 ) 1292 - 1298 2007年06月

ISSN: 1345-9678

DOI
Femtosecond Yb3+-doped Y3(Sc0.5Al0.5)2O12 ceramic laser

Saikawa, J; Sato, Y; Taira, T; Ikesue, A

OPTICAL MATERIALS 29 ( 10 ) 1283 - 1288 2007年06月

ISSN: 0925-3467

DOI
Infrared study on the electronic structure of the alkaline-earth-filled skutterudites AM4Sb12 (A=Sr, Ba; M=Fe, Ru, Os)

Kimura, S; Im, H; Mizuno, T; Narazu, S; Matsuoka, E; Takabatake, T

PHYSICAL REVIEW B 75 ( 24 ) 2007年06月

ISSN: 2469-9950

DOI
Investigation on lithium de-intercalation mechanism for LiNi0.45Mn0.45Al0.1O2

Kobayashi, H; Arachi, Y; Emura, S; Tatsumi, K

SOLID STATE IONICS 178 ( 15-18 ) 1101 - 1105 2007年06月

ISSN: 0167-2738

DOI
Redistribution of charge in the proximity of the spin-Peierls transition:: 13C NMR investigation of (TMTTF)2PF6

Nakamura, T; Furukawa, K; Hara, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 6 ) 2007年06月

ISSN: 0031-9015

DOI
Relaxation process in the photoinduced neutral-ionic paraelectric-ferroelectric phase transition in tetrathiafulvalene-p-chloranil

Inoue, H; Yonemitsu, K

PHYSICAL REVIEW B 75 ( 23 ) 2007年06月

ISSN: 1098-0121

DOI
Synthesis and electrochemistry of Co(III) and Co(I) complexes having C5Me5 auxiliary

Nagasawa, T; Nagata, T

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1767 ( 6 ) 666 - 670 2007年06月

ISSN: 0005-2728

DOI
Thermally-induced-birefringence effects of highly Nd3+-doped Y3Al5O12 ceramic lasers

Shoji, I; Taira, T; Ikesue, A

OPTICAL MATERIALS 29 ( 10 ) 1271 - 1276 2007年06月

ISSN: 0925-3467

DOI
Valence electronic structure of cross-linked C60 polymers:: In situ high-resolution photoelectron spectroscopic and density-functional studies

Onoe, J; Ito, T; Kimura, S; Ohno, K; Noguchi, Y; Ueda, S

PHYSICAL REVIEW B 75 ( 23 ) 2007年06月

ISSN: 2469-9950

DOI
Stability and electronic structure of Zr-based ternary metallic glasses and relevant compounds

Hasegawa, M; Soda, K; Sato, H; Suzuki, T; Taketomi, T; Takeuchi, T; Kato, H; Mizutani, U

JOURNAL OF ALLOYS AND COMPOUNDS 434 149 - 151 2007年05月31日

ISSN: 0925-8388

DOI
I-V characteristics of single electron tunneling from symmetric and asymmetric double-barrier tunneling junctions

Negishi, R; Hasegawa, T; Terabe, K; Aono, M; Tanaka, H; Ogawa, T; Ozawa, H

APPLIED PHYSICS LETTERS 90 ( 22 ) 2007年05月28日

ISSN: 0003-6951

DOI
Photodissociation of gas-phase I3-:: Comprehensive understanding of nonadiabatic dissociation dynamics

Nakanishi, R; Saitou, N; Ohno, T; Kowashi, S; Yabushita, S; Nagata, T

JOURNAL OF CHEMICAL PHYSICS 126 ( 20 ) 2007年05月28日

ISSN: 0021-9606

DOI
Origin of the gauche preference of n-propyl halides and related molecules investigated by ab initio MO calculations:: Importance of the CH/n hydrogen bond

Takahashi, O; Yamasaki, K; Kohno, Y; Ueda, K; Suezawa, H; Nishio, M

CHEMICAL PHYSICS LETTERS 440 ( 1-3 ) 64 - 69 2007年05月25日

ISSN: 0009-2614

DOI
Synthesis of dendron-protected porphyrin wires and preparation of a one-dimensional assembly of gold nanoparticles chemically linked to the π-conjugated wires

Ozawa, H; Kawao, M; Tanaka, H; Ogawa, T

LANGMUIR 23 ( 11 ) 6365 - 6371 2007年05月22日

ISSN: 0743-7463

DOI
Infrared spectroscopy of Cu+(H2O)n and Ag+(H2O)n:: Coordination and solvation of noble-metal ions

Iino, T; Ohashi, K; Inoue, K; Judai, K; Nishi, N; Sekiya, H

JOURNAL OF CHEMICAL PHYSICS 126 ( 19 ) 2007年05月21日

ISSN: 0021-9606

DOI
Investigation of optical properties of fluorofullerene C60F18 single crystals

Lebedev, AM; Menshikov, KA; Svechnikov, NY; Stankevich, VG; Boltalina, OV; Goldt, IV; Kimura, S; Ni … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 575 ( 1-2 ) 96 - 98 2007年05月21日

ISSN: 0168-9002

DOI
Time-domain calculations of the infrared and polarized Raman spectra of tetraalanine in aqueous solution

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY B 111 ( 19 ) 5434 - 5444 2007年05月17日

ISSN: 1520-6106

DOI
A molecular analysis of the vibrational energy relaxation mechanism of the CN- ion in water based upon path integral influence functional theory combined with a dipole expansion of the solute-solvent interaction

Okamoto, Y; Mikami, T; Yoshii, N; Okazaki, S

JOURNAL OF MOLECULAR LIQUIDS 134 ( 1-3 ) 34 - 39 2007年05月15日

ISSN: 0167-7322

DOI
Modulations of vibrational frequencies and other vibrational properties of the C=O stretching mode of liquid acetone

Torii, H; Musso, M; Giorgini, MG

JOURNAL OF MOLECULAR LIQUIDS 134 ( 1-3 ) 129 - 135 2007年05月15日

ISSN: 0167-7322

DOI
Photochemistry and photo-induced ultrafast dynamics at metal surfaces

Matsumoto, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 80 ( 5 ) 842 - 855 2007年05月15日

ISSN: 0009-2673

DOI
Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: Diradical character and spin multiplicity dependences

Ohta, S; Nakano, M; Kubo, T; Kamada, K; Ohta, K; Kishi, R; Nakagawa, N; Champagne, B; Botek, E; Tak … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 18 ) 3633 - 3641 2007年05月10日

ISSN: 1089-5639

DOI
Imaging of selective nuclear receptor modulator-induced conformational changes in the nuclear receptor to allow interaction with coactivator and corepressor proteins in living cells

Awais, M; Sato, M; Umezawa, Y

CHEMBIOCHEM 8 ( 7 ) 737 - 743 2007年05月07日

ISSN: 1439-4227

DOI
Application of bond energy density analysis (Bond-EDA) to Diels-Alder reaction

Baba, T; Ishii, M; Kikuchi, Y; Nakai, H

CHEMISTRY LETTERS 36 ( 5 ) 616 - 617 2007年05月05日

ISSN: 0366-7022

DOI
Lewis acid character of zero-valent gold nanoclusters under aerobic conditions: Intramolecular hydroalkoxylation of alkenes

Kamiya, I; Tsunoyama, H; Tsukuda, T; Sakurai, H

CHEMISTRY LETTERS 36 ( 5 ) 646 - 647 2007年05月05日

ISSN: 0366-7022

DOI
Synthesis and reactivities of sulfido-bridged Ir-W and Ir-Re heterodinuclear complexes with imido ligands

Arashiba, K; Tanabe, Y; Ishii, Y

CHEMISTRY LETTERS 36 ( 5 ) 622 - 623 2007年05月05日

ISSN: 0366-7022

DOI
Double photoionization into double core-hole states in Xe

Hikosaka, Y; Lablanquie, P; Penent, F; Kaneyasu, T; Shigemasa, E; Eland, JHD; Aoto, T; Ito, K

PHYSICAL REVIEW LETTERS 98 ( 18 ) 2007年05月04日

ISSN: 0031-9007

DOI
Structural comparison of fucosylated and nonfucosylated Fc fragments of human immunoglobulin G1

Matsumiya, S; Yamaguchi, Y; Saito, J; Nagano, M; Sasakawa, H; Otaki, S; Satoh, M; Shitara, K; Kato, … 全著者表示

JOURNAL OF MOLECULAR BIOLOGY 368 ( 3 ) 767 - 779 2007年05月04日

ISSN: 0022-2836

DOI
Selective ion binding by protein probed with the statistical mechanical integral equation theory

Yoshida, N; Phongphanphanee, S; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 111 ( 17 ) 4588 - 4595 2007年05月03日

ISSN: 1520-6106

DOI
Synthesis, structure and properties of TTF-carboxylate bridged paddlewheel dirhodium complexes, Rh2(ButCO2)3(TTFCO2) and Rh2(ButCO2)2(TTFCO2)2

Ebihara, M; Nomura, M; Sakai, S; Kawamura, T

INORGANICA CHIMICA ACTA 360 ( 7 ) 2345 - 2352 2007年05月02日

ISSN: 0020-1693

DOI
Equilibrium and kinetics of the folding and unfolding of canine milk lysozyme

Nakatani, H; Maki, K; Saeki, K; Aizawa, T; Demura, M; Kawano, K; Tomoda, S; Kuwajima, K

BIOCHEMISTRY 46 ( 17 ) 5238 - 5251 2007年05月01日

ISSN: 0006-2960

DOI
Ab initio calculation of the Dzyaloshinskii-Moriya parameters: Spin-orbit GSO-HF, HFT, and CI approaches

Takeda, R; Yamanaka, S; Shoji, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 6 ) 1328 - 1334 2007年05月

ISSN: 0020-7608

DOI
Angle resolved UV photoelectron spectra of titanyl phthalocynine monolayer film on graphite

Kera, S; Yamane, H; Fukagawa, H; Hanatani, T; Okudaira, KK; Seki, K; Ueno, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 156 135 - 138 2007年05月

ISSN: 0368-2048

DOI
Change in optical anisotropy with rotation of orbital stripe in a half-doped bilayer manganite

Lee, YS; Tokunaga, Y; Arima, T; Tokura, Y

PHYSICAL REVIEW B 75 ( 17 ) 2007年05月

ISSN: 1098-0121

DOI
Charge ordered state and frustration of site charges in (ET)5Te2I6 and (BETS)5Te2I6

Yamamoto, T; Eda, J; Nakao, A; Kato, R; Yakushi, K

PHYSICAL REVIEW B 75 ( 20 ) 2007年05月

ISSN: 2469-9950

DOI
Design and performance of compact heatsink for high-power diode edge-pumped, microchip lasers

Tsunekane, M; Taira, T

IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS 13 ( 3 ) 619 - 625 2007年05月

ISSN: 1077-260X

DOI
Effective-mass anomalies of strained silicon thin films: Surface and confinement effects

Yamauchi, J; Matsuno, S

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 46 ( 5B ) 3273 - 3276 2007年05月

ISSN: 0021-4922

DOI
Effects of electron-lattice coupling on charge order in θ-(ET)2X

Tanaka, Y; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 5 ) 2007年05月

ISSN: 0031-9015

DOI
Electron-ion coincidence spectrometer for studies on decay dynamics of core-excited molecules

Kaneyasu, T; Hikosaka, Y; Shigemasa, E

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 156 279 - 283 2007年05月

ISSN: 0368-2048

DOI
Energetics of ice nanotubes and their encapsulation in carbon nanotubes from density-functional theory

Kurita, T; Okada, S; Oshiyama, A

PHYSICAL REVIEW B 75 ( 20 ) 2007年05月

ISSN: 2469-9950

DOI
Extremely high stability of glutathionate-protected Au25 clusters against core etching

Shichibu, Y; Negishi, Y; Tsunoyama, H; Kanehara, M; Teranishi, T; Tsukuda, T

SMALL 3 ( 5 ) 835 - 839 2007年05月

ISSN: 1613-6810

DOI
Imaging dynamics of endogenous mitochondrial RNA in single living cells

Ozawa, T; Natori, Y; Sato, M; Umezawa, Y

NATURE METHODS 4 ( 5 ) 413 - 419 2007年05月

ISSN: 1548-7091

DOI
Negative ion formation following inner-shell photoexcitation in CO2 studied by velocity imaging spectroscopy

Hikosaka, Y; Kaneyasu, T; Tamenori, Y; Shigemasa, E

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 156 284 - 288 2007年05月

ISSN: 0368-2048

DOI
Nonequilibrium molecular dynamics methods for computing the thermal conductivity:: Application to amorphous polymers

Terao, T; Lussetti, E; Müller-Plathe, F

PHYSICAL REVIEW E 75 ( 5 ) 2007年05月

ISSN: 2470-0045

DOI
Photoelectron recapture through post-collision interaction in N2

Shigemasa, E; Kaneyasu, T; Tamenori, Y; Hikosaka, Y

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 156 289 - 293 2007年05月

ISSN: 0368-2048

DOI
Pressure-induced superconductivity in the quasi-one-dimensional organic conductor (TMTTF)2AsF6

Itoi, M; Kano, M; Kurita, N; Hedo, M; Uwatoko, Y; Nakamura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 5 ) 2007年05月

ISSN: 0031-9015

DOI
RE3+-ion-doped YAG ceramic lasers

Taira, T

IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS 13 ( 3 ) 798 - 809 2007年05月

ISSN: 1077-260X

DOI
Relative stabilities of C74 isomers

Slanina, Z; Uhlík, F; Zhao, X; Adamowicz, L; Nagase, S

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 15 ( 3 ) 195 - 205 2007年05月

ISSN: 1536-383X

DOI
Tailored spectral designing of layer-by-layer type composite Nd:Y3ScAl4O12/Nd:Y3Al5O12 ceramics

Sato, Y; Ikesue, A; Taira, T

IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS 13 ( 3 ) 838 - 843 2007年05月

ISSN: 1077-260X

DOI
The vibrational structure of a conjugate shake-up satellite band in the C 1s core-level photoemission of CO

Gejo, T; Machida, A; Honma, K; Shigemasa, E; Nakamura, E; Kosugi, N; Tamenori, Y

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 156 274 - 278 2007年05月

ISSN: 0368-2048

DOI
Implementation of π-π interactions in molecular dynamics simulation

Yuki, H; Tanaka, Y; Hata, M; Ishikawa, H; Neya, S; Hoshino, T

JOURNAL OF COMPUTATIONAL CHEMISTRY 28 ( 6 ) 1091 - 1099 2007年04月30日

ISSN: 0192-8651

DOI
Systematics of the gradient on the resonant core-hole state

Takahashi, O; Matsui, T; Kawano, A; Tabayashi, K; Yamasaki, K

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 808 ( 1-3 ) 35 - 40 2007年04月30日

ISSN: 0166-1280

DOI
Wavelet transform analysis of ab initio molecular dynamics simulation: Application to core-excitation dynamics of BF3

Otsuka, T; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 28 ( 6 ) 1137 - 1144 2007年04月30日

ISSN: 0192-8651

DOI
Indium-catalyzed 2-alkenylation of 1,3-dicarbonyl compounds with unactivated alkynes

Endo, K; Hatakeyama, T; Nakamura, M; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 129 ( 16 ) 5264 - 5271 2007年04月25日

ISSN: 0002-7863

DOI
Computational research of the electronic structure of benzene trimer cation by ab initio method

Mine, M; Mori, H; Ogata, M; Tanaka, S; Tsutsui, T; Miyoshi, E

CHEMICAL PHYSICS LETTERS 438 ( 4-6 ) 157 - 161 2007年04月20日

ISSN: 0009-2614

DOI
Formation of titanium-carbide in a nanospace of C78 fullerenes

Otani, M; Okada, S; Oshiyama, A

CHEMICAL PHYSICS LETTERS 438 ( 4-6 ) 274 - 278 2007年04月20日

ISSN: 0009-2614

DOI
Structural and electronic properties of one dimensional KxC60 crystal encapsulated in carbon nanotube

Song, W; Lu, J; Gao, ZX; Ni, M; Guan, LH; Shi, ZJ; Gu, ZN; Nagase, S; Yu, DP; Ye, HQ; Zhang, XW

INTERNATIONAL JOURNAL OF MODERN PHYSICS B 21 ( 10 ) 1705 - 1714 2007年04月20日

ISSN: 0217-9792

DOI
Mechanism of drug resistance due to N88S in CRF01_AE HIV-1 protease, analyzed by molecular dynamics simulations

Ode, H; Matsuyama, S; Hata, M; Hoshino, T; Kakizawa, J; Sugiura, W

JOURNAL OF MEDICINAL CHEMISTRY 50 ( 8 ) 1768 - 1777 2007年04月19日

ISSN: 0022-2623

DOI
Theoretical study of geometries and electronic transition of color-switching molecules: Tetra-aza macrocycle and its zinc complexes

Zhu, ZX; Takano, K; Furuhama, A; Ogawa, S; Tsuchiya, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 80 ( 4 ) 686 - 693 2007年04月15日

ISSN: 0009-2673

DOI
Tightly convoluted polymeric phosphotungstate catalyst: An oxidative cyclization of alkenols and alkenoic acids

Yamada, YMA; Guo, HQ; Uozumi, Y

ORGANIC LETTERS 9 ( 8 ) 1501 - 1504 2007年04月12日

ISSN: 1523-7060

DOI
Extension of energy density analysis to periodic boundary condition calculation: Evaluation of locality in extended systems

Nakai, H; Kurabayashi, Y; Katouda, M; Atsumi, T

CHEMICAL PHYSICS LETTERS 438 ( 1-3 ) 132 - 138 2007年04月11日

ISSN: 0009-2614

DOI
Radial-breathing mode frequencies for nanotubes encapsulating fullerenes

Okada, S

CHEMICAL PHYSICS LETTERS 438 ( 1-3 ) 59 - 62 2007年04月11日

ISSN: 0009-2614

DOI
Magnetic-field-induced fourfold azimuthal angle dependence in the terahertz radiation power of (100)InAs

Estacio, E; Sumikura, H; Murakami, H; Tani, M; Sarukura, N; Hangyo, M; Ponseca, C; Pobre, R; Quirog … 全著者表示

APPLIED PHYSICS LETTERS 90 ( 15 ) 2007年04月09日

ISSN: 0003-6951

DOI
Size selective extraction of N,N,N′,N′-tetraoctyldiglycolamide and the structure of its divalent metal complex

Sasaki, Y; Masaki, T; Saeki, M

CHEMISTRY LETTERS 36 ( 4 ) 488 - 489 2007年04月05日

ISSN: 0366-7022

DOI
Structural growth sequences and electronic properties of zinc oxide clusters (ZnO)n (n=2-18)

Wang, BL; Nagase, S; Zhao, JJ; Wang, GH

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 13 ) 4956 - 4963 2007年04月05日

ISSN: 1932-7447

DOI
A Monte-Carlo simulation study of twinning formation in InP nanowires

Sano, K; Akiyama, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 301 862 - 865 2007年04月

ISSN: 0022-0248

DOI
A simple approach to temperature dependence of strain energy: Application to GaN-based semiconductors

Ito, T; Araki, T; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 301 62 - 66 2007年04月

ISSN: 0022-0248

DOI
AF-like ground state of Mn-DNA and charge transfer from Fe to base-π-band in Fe-DNA

Mizoguchi, K; Tanaka, S; Ojima, M; Sano, S; Nagatori, M; Sakamoto, H; Yonezawa, Y; Aoki, Y; Sato, H … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 4 ) 2007年04月

ISSN: 0031-9015

DOI
An empirical interatomic potential approach to structural stability of ZnS and ZnSe nanowires

Akiyama, T; Sano, K; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 46 ( 4A ) 1783 - 1787 2007年04月

ISSN: 0021-4922

DOI
An empirical potential approach to the structural stability of InAs stacking-fault tetrahedron in InAs/GaAs(111)

Joe, H; Akiyama, T; Nakamura, K; Kamsawa, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 301 837 - 840 2007年04月

ISSN: 0022-0248

DOI
Autoionization dynamics of core-valence doubly excited states in N2

Hikosaka, Y; Kaneyasu, T; Shigemasa, E; Tamenori, Y; Kosugi, N

PHYSICAL REVIEW A 75 ( 4 ) 2007年04月

ISSN: 1050-2947

DOI
Calculations on endohedral C74 complexes

Slanina, Z; Uhlík, F; Lee, SL; Adamowicz, L; Nagase, S

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 7 ( 4-5 ) 1339 - 1345 2007年04月

ISSN: 1533-4880

DOI
Correlation of electronic structure and ordered charge and orbital patterns for single-layered manganites in a wide hole-doping range (0≤x≤1)

Lee, YS; Arima, T; Onoda, S; Okimoto, Y; Tokunaga, Y; Mathieu, R; Yu, XZ; He, JP; Kaneko, Y; Matsui … 全著者表示

PHYSICAL REVIEW B 75 ( 14 ) 2007年04月

ISSN: 2469-9950

DOI
Electronic structure and energetics of MgB2 nanotube

Saito, S; Louie, SG; Cohen, ML

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 4 ) 2007年04月

ISSN: 0031-9015

DOI
Orientation and size dependence on structural stability in silicon nanowires: A transferable tight-binding calculation study

Maeda, S; Akiyama, T; Nakamura, K; Ito, T

JOURNAL OF CRYSTAL GROWTH 301 871 - 875 2007年04月

ISSN: 0022-0248

DOI
Polarized IR studies of C60F18 single crystals

Lebedev, AM; Menshikov, KA; Stankevich, VG; Svechnikov, NY; Popov, AA; Boltalina, OV; Drozdova, O; … 全著者表示

DIAMOND AND RELATED MATERIALS 16 ( 4-7 ) 1236 - 1239 2007年04月

ISSN: 0925-9635

DOI
Preparation of Ge-C films by low-energy ion beam induced chemical vapor deposition with hexamethyldigermane

Matsutani, T; Kiuchi, M; Takeuchi, T

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 257 261 - 264 2007年04月

ISSN: 0168-583X

DOI
Reverse Monte Carlo analysis for small-angle scattering of expanded fluid Hg: connection to the wide-angle structure factor

Hagita, K; Arai, T; Inui, M; Matsuda, K; Tamura, K

JOURNAL OF APPLIED CRYSTALLOGRAPHY 40 S544 - S548 2007年04月

ISSN: 0021-8898

DOI
Site selectivities of alkali ions in CsRb2C60 and Cs2RbC60 superconductors

Saito, S; Louie, SG; Cohen, ML

SOLID STATE COMMUNICATIONS 142 ( 4 ) 186 - 189 2007年04月

ISSN: 0038-1098

DOI
BF2 complexes of β-tetraethyl-substituted dipyrrolyldiketones as anion receptors:: Potential building subunits for oligomeric systems

Maeda, H; Kusunose, Y; Mihashi, Y; Mizoguchi, T

JOURNAL OF ORGANIC CHEMISTRY 72 ( 7 ) 2612 - 2616 2007年03月30日

ISSN: 0022-3263

DOI
Crystal structure of CO-sensing transcription activator CooA bound to exogenous ligand imidazole

Komori, H; Inagaki, S; Yoshioka, S; Aono, S; Higuchi, Y

JOURNAL OF MOLECULAR BIOLOGY 367 ( 3 ) 864 - 871 2007年03月30日

ISSN: 0022-2836

DOI
Isotopic labeling study of the oxygen diffusion in HfO2/SiO2/Si

Zhao, M; Nakajima, K; Suzuki, M; Kimura, K; Uematsu, M; Torii, K; Kamiyama, S; Nara, Y; Watanabe, H … 全著者表示

APPLIED PHYSICS LETTERS 90 ( 13 ) 2007年03月26日

ISSN: 0003-6951

DOI
Local atomic arrangements and electronic structure of Zr-Ni-Al bulk metallic glass

Takeuchi, T; Nakano, S; Hasegawa, M; Soda, K; Sato, H; Mizutani, U; Itoh, K; Fukunaga, T

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING 449 599 - 604 2007年03月25日

ISSN: 0921-5093

DOI
Ab initio molecular dynamics simulation of the energy-relaxation process of the protonated water dimer

Yamauchi, Y; Ozawa, S; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 11 ) 2062 - 2066 2007年03月22日

ISSN: 1089-5639

DOI
Formation of alkanethiolate-protected gold clusters with unprecedented core sizes in the thiolation of polymer-stabilized gold clusters

Tsunoyama, H; Nickut, P; Negishi, Y; Al-Shamery, K; Matsumoto, Y; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 11 ) 4153 - 4158 2007年03月22日

ISSN: 1932-7447

DOI
Proton transfer and associated molecular rearrangements in the photocycle of photoactive yellow protein: Role of water molecular migration on the proton transfer reaction

Kamiya, M; Saito, S; Ohmine, I

JOURNAL OF PHYSICAL CHEMISTRY B 111 ( 11 ) 2948 - 2956 2007年03月22日

ISSN: 1520-6106

DOI
Semiclassical treatment of thermally activated electron transfer in the inverted region under the fast dielectric relaxation

Zhao, Y; Han, MM; Liang, WZ; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 11 ) 2047 - 2053 2007年03月22日

ISSN: 1089-5639

DOI
Rotational fluctuation of molecules in quantum clusters. I. Path integral hybrid Monte Carlo algorithm

Miura, S

JOURNAL OF CHEMICAL PHYSICS 126 ( 11 ) 2007年03月21日

ISSN: 0021-9606

DOI
Rotational fluctuation of molecules in quantum clusters. II. Molecular rotation and superfluidity in OCS-doped helium-4 clusters

Miura, S

JOURNAL OF CHEMICAL PHYSICS 126 ( 11 ) 2007年03月21日

ISSN: 0021-9606

DOI
Touschek lifetime measurement with a spurious bunch in single-bunch operation in the UVSOR-II electron storage ring

Mochihashi, A; Katoh, M; Hosaka, M; Takashima, Y; Hori, Y

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 572 ( 3 ) 1033 - 1041 2007年03月21日

ISSN: 0168-9002

DOI
High-power operation of diode edge-pumped, composite all-ceramic Yb:Y3Al5O12 microchip laser

Tsunekane, M; Taira, T

APPLIED PHYSICS LETTERS 90 ( 12 ) 2007年03月19日

ISSN: 0003-6951

DOI
Self-assembly and characterization of cyano-bridged bimetallic [Ln-Fe] and [Ln-Co] complexes (Ln = La, Pr, Nd and Sm).: Nature of the magnetic interactions between the Ln3+ and Fe3+ ions

Chen, WT; Guo, GC; Wang, MS; Xu, G; Cai, LZ; Akitsu, T; Akita-Tanaka, M; Matsushita, A; Huang, JS

INORGANIC CHEMISTRY 46 ( 6 ) 2105 - 2114 2007年03月19日

ISSN: 0020-1669

DOI
Anion-dependent selective formation of intermolecular non-covalent bonds

Tsutsui, K; Koizumi, TA; Tanaka, K; Hayashi, H

JOURNAL OF MOLECULAR STRUCTURE 829 ( 1-3 ) 168 - 175 2007年03月17日

ISSN: 0022-2860

DOI
Theoretical studies on the role of bridging group of Cp ligands for the Ziegler-Natta catalysis

Sakai, S

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 804 ( 1-3 ) 35 - 39 2007年03月16日

ISSN: 0166-1280

DOI
Free energy of water permeation into hydrophobic core of sodium dodecyl sulfate micelle by molecular dynamics calculation

Yoshii, N; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 126 ( 9 ) 2007年03月07日

ISSN: 0021-9606

DOI
Refinement of conditions of point-contact current imaging atomic force microscopy for molecular-scale conduction measurements

Yajima, T; Tanaka, H; Matsumoto, T; Otsuka, Y; Sugawara, Y; Ogawa, T

NANOTECHNOLOGY 18 ( 9 ) 2007年03月07日

ISSN: 0957-4484

DOI
Molecular mobility of peroxy radicals at the ends of isolated polystyrene chains tethered on the solid surface of poly(tetrafluoroethylene) in a vacuum

Sakaguchi, M; Yamamoto, K; Miwa, Y; Shimada, S; Sakai, M; Iwamura, T

MACROMOLECULES 40 ( 5 ) 1708 - 1712 2007年03月06日

ISSN: 0024-9297

DOI
Guest-induced chirality in the ferrimagnetic nanoporous diamond framework Mn3(HCOO)6

Zhang, B; Wang, ZM; Kurmoo, M; Gao, S; Inoue, K; Kobayashi, H

ADVANCED FUNCTIONAL MATERIALS 17 ( 4 ) 577 - 584 2007年03月05日

ISSN: 1616-301X

DOI
Orientation dependence of magnetic moment on double-walled nanotubes with topological line defects

Okada, S; Nakada, K; Kawai, T

APPLIED PHYSICS LETTERS 90 ( 10 ) 2007年03月05日

ISSN: 0003-6951

DOI
Theory of chemical bonds in metalloenzymes IV: Hybrid-DFT study of Rieske-type [2Fe-2S] clusters

Shoji, M; Koizumi, K; Kitagawa, Y; Yamanaka, S; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 3 ) 609 - 627 2007年03月05日

ISSN: 0020-7608

DOI
Photoinduced melting of a stripe-type charge-order and metallic domain formation in a layered BEDT-TTF-based organic salt

Iwai, S; Yamamoto, K; Kashiwazaki, A; Hiramatsu, F; Nakaya, H; Kawakami, Y; Yakushi, K; Okamoto, H; … 全著者表示

PHYSICAL REVIEW LETTERS 98 ( 9 ) 2007年03月02日

ISSN: 0031-9007

DOI
A minimal peptide sequence that targets fluorescent and functional proteins into the mitochondrial intermembrane space

Ozawa, T; Natori, Y; Sako, Y; Kuroiwa, H; Kuroiwa, T; Umezawa, Y

ACS CHEMICAL BIOLOGY 2 ( 3 ) 176 - 186 2007年03月

ISSN: 1554-8929

DOI
Ceramic YAG lasers

Taira, T

COMPTES RENDUS PHYSIQUE 8 ( 2 ) 138 - 152 2007年03月

ISSN: 1631-0705

DOI
Effect of encapsulated atoms on the electronic structure of the fullerene cage:: A case study on La2@C78 and Ti2C2@C78 via ultraviolet photoelectron spectroscopy

Hino, S; Kato, M; Yoshimura, D; Moribe, H; Umemoto, H; Ito, Y; Sugai, T; Shinohara, H; Otani, M; Yo … 全著者表示

PHYSICAL REVIEW B 75 ( 12 ) 2007年03月

ISSN: 2469-9950

DOI
Effects of high pressure on A2Cu2Mo3O12 (A = Rb, Cs):: A one-dimensional system with competing ferromagnetic and antiferromagnetic interactions

Hamasaki, T; Kuroe, H; Sekine, T; Naka, T; Hase, M; Maeshima, N; Saiga, Y; Uwatoko, Y

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) E394 - E396 2007年03月

ISSN: 0304-8853

DOI
Electronic structure and magnetism of Fe wire in carbon nanotubes

Shiroishi, H; Oda, T; Fujima, N

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 1640 - 1641 2007年03月

ISSN: 0304-8853

DOI
Electronic structure of CeNiGe2-xSix studied by Ce 4d-4f resonant photoemission

Im, HJ; Ito, T; Kimura, SI; Kim, HD; Hong, JB; Kwon, YS

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 411 - 413 2007年03月

ISSN: 0304-8853

DOI
Fractional behavior in nonergodic reaction processes of isomerization

Shojiguchi, A; Li, CB; Komatsuzaki, T; Toda, M

PHYSICAL REVIEW E 75 ( 3 ) 2007年03月

ISSN: 1539-3755

DOI
Hybridization gap collapse at a quantum critical point of CeNi1-xCoxGe2

Kwon, YS; Lee, KE; Jung, MA; Song, EY; Oh, HJ; Im, HJ; Kimura, S

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 310 - 312 2007年03月

ISSN: 0304-8853

DOI
Magnetic anisotropies of iron on the low index platinum surface

Tsujikawa, M; Hosokawa, A; Oda, T

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 2189 - 2191 2007年03月

ISSN: 0304-8853

DOI
Magnetization under high-pressure in organic ferromagnet α-TDAE-C60

Kambe, T; Ishida, K; Fujiwara, M; Oshima, K

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 1432 - 1434 2007年03月

ISSN: 0304-8853

DOI
Phase separation, spin polarization, and triplet superconductivity in the Hubbard chains coupled with ferromagnetic zigzag bonds

Nishimoto, S; Shirakawa, T; Ohta, Y

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 669 - 671 2007年03月

ISSN: 0304-8853

DOI
Photoinduced electric currents in ring-shaped molecules by circularly polarized laser pulses

Nobusada, K; Yabana, K

PHYSICAL REVIEW A 75 ( 3 ) 2007年03月

ISSN: 2469-9926

DOI
Pressure dependence of the phase separation in deuterated κ-(BEDT-TTF)2Cu[N(CN)2]Br at the Mott boundary

Kimura, S; Nishi, T; Takahashi, T; Mizuno, T; Miyagawa, K; Taniguchi, H; Kawamoto, A; Kanoda, K

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 1102 - 1104 2007年03月

ISSN: 0304-8853

DOI
Quantum spin correction scheme based on spin-correlation functional for Kohn-Sham spin density functional theory

Yamanaka, S; Takeda, R; Nakata, K; Takada, T; Shoji, M; Kitagawa, Y; Yamaguchi, K

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) E492 - E494 2007年03月

ISSN: 0304-8853

DOI
Spectral tuning of photoactive yellow protein

Yamato, T; Ishikura, T; Kakitani, T; Kawaguchi, K; Watanabe, H

PHOTOCHEMISTRY AND PHOTOBIOLOGY 83 ( 2 ) 323 - 327 2007年03月

ISSN: 0031-8655

DOI
Spin-triplet f-wave superconductivity in one-dimensional triangular-lattice Hubbard models

Ohta, Y; Nishimoto, S; Shirakawa, T

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 578 - 580 2007年03月

ISSN: 0304-8853

DOI
Spin-triplet superconductivity in the double-chain Hubbard model with ferromagnetic exchange interaction

Shirakawa, T; Ohta, Y; Nishimoto, S

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 663 - 665 2007年03月

ISSN: 0304-8853

DOI
Synthesis and crystal structure of Mn(II) and Zn(II) complexes with 1,3,5-tris(carboxymethoxyl)benzene ligand

Wu, G; Wang, Y; Wang, XF; Kawaguchi, H; Sun, WY

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY 37 ( 3 ) 199 - 205 2007年03月

ISSN: 1074-1542

DOI
Synthesis, crystal structure and magnetic properties of a cyclic dimer of [{Co(hfac)2}•BNOt-Bu]2

Numata, Y; Inoue, K

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 1847 - 1848 2007年03月

ISSN: 0304-8853

DOI
Theoretical studies on the color-tuning mechanism in retinal proteins

Fujimoto, K; Hayashi, S; Hasegawa, J; Nakatsuji, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 3 ( 2 ) 605 - 618 2007年03月

ISSN: 1549-9618

DOI
Theoretical study of the electronic spectra of oxidized and reduced states of lumiflavin and its derivative

Choe, YK; Nagase, S; Nishimoto, K

JOURNAL OF COMPUTATIONAL CHEMISTRY 28 ( 4 ) 727 - 739 2007年03月

ISSN: 0192-8651

DOI
Three-dimensional Fermi-surface of CeTe2 studied by angle-resolved photoemission

Ito, T; Im, H; Kimura, SI; Kwon, YS

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 310 ( 2 ) 431 - 433 2007年03月

ISSN: 0304-8853

DOI
Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: Free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water

Takahashi, H; Tanabe, K; Aketa, M; Kishi, R; Furukawa, SI; Nakano, M

JOURNAL OF CHEMICAL PHYSICS 126 ( 8 ) 2007年02月28日

ISSN: 0021-9606

DOI
Symmetry-adapted-cluster/symmetry-adapted-cluster configuration interaction methodology extended to giant molecular systems: Ring molecular crystals

Nakatsuji, H; Miyahara, T; Fukuda, R

JOURNAL OF CHEMICAL PHYSICS 126 ( 8 ) 2007年02月28日

ISSN: 0021-9606

DOI
UV-visible and 1H or 13C NMR spectroscopic studies on the specific interaction between lithium ions and the anion from tropolone or 4-isopropyltropolone (Hinokitiol) and on the formation of protonated tropolones in acetonitrile or other solvents

Hojo, M; Ueda, T; Inoue, T; Ike, M; Kobayashi, M; Nakai, H

JOURNAL OF PHYSICAL CHEMISTRY B 111 ( 7 ) 1759 - 1768 2007年02月22日

ISSN: 1520-6106

DOI
Intramolecular CH•••π and CH•••O interactions in the conformational stability of benzyl methyl ether studied by matrix-isolation infrared spectroscopy and theoretical calculations

Shin-ya, K; Takahashi, O; Katsumoto, Y; Ohno, K

JOURNAL OF MOLECULAR STRUCTURE 827 ( 1-3 ) 155 - 164 2007年02月17日

ISSN: 0022-2860

DOI
Probabilistic alignment detects remote homology in a pair of protein sequences without homologous sequence information

Koike, R; Kinoshita, K; Kidera, A

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS 66 ( 3 ) 655 - 663 2007年02月15日

ISSN: 0887-3585

DOI
Structure of the jet-cooled 1-naphthol dimer studied by IR dip spectroscopy:: Cooperation between the π-π interaction and the hydrogen bonding

Saeki, M; Ishiuchi, SI; Sakai, M; Fujii, M

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 6 ) 1001 - 1005 2007年02月15日

ISSN: 1089-5639

DOI
Molecular vibrations of [n]oligoacenes (n=2-5 and 10) and phonon dispersion relations of polyacene

Yamakita, Y; Kimura, J; Ohno, K

JOURNAL OF CHEMICAL PHYSICS 126 ( 6 ) 2007年02月14日

ISSN: 0021-9606

DOI
Theoretical study of the cosolvent effect on the partial molar volume change of staphylococcal nuclease associated with pressure denaturation

Yamazaki, T; Imai, T; Hirata, F; Kovalenko, A

JOURNAL OF PHYSICAL CHEMISTRY B 111 ( 5 ) 1206 - 1212 2007年02月08日

ISSN: 1520-6106

DOI
(nBu4N)[Ni(dmstfdt)2]:: A planar nickel coordination complex with an extended-TTF ligand exhibiting metallic conduction, metal-insulator transition, and weak ferromagnetism

Fujiwara, E; Yamamoto, K; Shimamura, M; Zhou, B; Kobayashi, A; Takahashi, K; Okano, Y; Cui, H; Koba … 全著者表示

CHEMISTRY OF MATERIALS 19 ( 3 ) 553 - 558 2007年02月06日

ISSN: 0897-4756

DOI
Synthetic application of PVP-stabilized an nanocluster catalyst to aerobic oxidation of alcohols in aqueous solution under ambient conditions

Tsunoyama, H; Tsukuda, T; Sakurai, H

CHEMISTRY LETTERS 36 ( 2 ) 212 - 213 2007年02月05日

ISSN: 0366-7022

DOI
Development of new P-chiral phosphorodiamidite ligands having a pyrrolo[1,2-c]diazaphosphol-1-one unit and their application to regio- and enantioselective iridium-catalyzed allylic etherification

Kimura, M; Uozumi, Y

JOURNAL OF ORGANIC CHEMISTRY 72 ( 3 ) 707 - 714 2007年02月02日

ISSN: 0022-3263

DOI
Computing relative stabilities of metallofullerenes by Gibbs energy treatments

Slanina, Z; Lee, SL; Uhlík, F; Adamowicz, L; Nagase, S

THEORETICAL CHEMISTRY ACCOUNTS 117 ( 2 ) 315 - 322 2007年02月

ISSN: 1432-881X

DOI
Dimension reduction for extracting geometrical structure of multidimensional phase space:: Application to fast energy exchange in the reaction O(1D)+N2O→NO+NO

Kawai, S; Fujimura, Y; Kajimoto, O

PHYSICAL REVIEW A 75 ( 2 ) 2007年02月

ISSN: 1050-2947

DOI
Direct interactions between NEDD8 and ubiquitin E2 conjugating enzymes upregulate cullin-based E3 ligase activity

Sakata, E; Yamaguchi, Y; Miyauchi, Y; Iwai, K; Chiba, T; Saeki, Y; Matsuda, N; Tanaka, K; Kato, K

NATURE STRUCTURAL & MOLECULAR BIOLOGY 14 ( 2 ) 167 - 168 2007年02月

ISSN: 1545-9985

DOI
Electron-ion-ion triple-coincidence spectroscopic study of site-specific fragmentation caused by Si:2p core-level photoionization of F3SiCH2CH2Si(CH3)3 vapor

Nagaoka, S; Prümper, G; Fukuzawa, H; Hino, M; Takemoto, M; Tamenori, Y; Harries, J; Suzuki, IH; Tak … 全著者表示

PHYSICAL REVIEW A 75 ( 2 ) 2007年02月

ISSN: 1050-2947

DOI
Electronic structure of finite-length carbon nanotubes: Crossover from fullerenes to nanotubes

Okada, S

NANO 2 ( 1 ) 51 - 57 2007年02月

ISSN: 1793-2920

DOI
Ion pair formation in the vacuum ultraviolet region of NO studied by negative ion imaging spectroscopy

Hikosaka, Y; Kaneyasu, T; Shigemasa, E

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 154 ( 3 ) 43 - 47 2007年02月

ISSN: 0368-2048

DOI
Measurements of threshold photoemission magnetic dichroism using ultraviolet lasers and a photoelastic modulator

Nakagawa, T; Yokoyama, T; Hosaka, M; Katoh, M

REVIEW OF SCIENTIFIC INSTRUMENTS 78 ( 2 ) 2007年02月

ISSN: 0034-6748

DOI
Transfer of excitation energy from Pr3+ to Gd3+ in YF3:Pr3+,Gd3+

Hirai, T; Yoshida, H; Sakuragi, S; Hashimoto, S; Ohno, N

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 46 ( 2 ) 660 - 663 2007年02月

ISSN: 0021-4922

DOI
Universal scaling in the dynamical conductivity of heavy fermion Ce and Yb compounds

Okamura, H; Watanabe, T; Matsunami, M; Nishihara, T; Tsujii, N; Ebihara, T; Sugawara, H; Sato, H; O … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 2 ) 2007年02月

ISSN: 0031-9015

DOI
Structure of electrolyte solutions sorbed in carbon nanospaces, studied by the replica RISM theory

Tanimura, A; Kovalenko, A; Hirata, F

LANGMUIR 23 ( 3 ) 1507 - 1517 2007年01月30日

ISSN: 0743-7463

DOI
Tin analogues of alkynes. Multiply bonded structures vs singly bonded structures

Takagi, N; Nagase, S

ORGANOMETALLICS 26 ( 3 ) 469 - 471 2007年01月29日

ISSN: 0276-7333

DOI
Electronic excitations of fluoroethylenes

Arulmozhiraja, S; Ehara, M; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 126 ( 4 ) 2007年01月28日

ISSN: 0021-9606

DOI
Statistical-mechanical theory of ultrasonic absorption in molecular liquids

Kobryn, AE; Hirata, F

JOURNAL OF CHEMICAL PHYSICS 126 ( 4 ) 2007年01月28日

ISSN: 0021-9606

DOI
The vibrational structure of the (X)over-tilde 1A1-(A)over-tilde 1B1 and (A)over-tilde 1B1-(B)over-tilde 1A1 band systems of GeH2/GeD2 based on global potential energy surfaces

Tokue, I; Ebina, S; Kanai, M; Nanbu, S

JOURNAL OF CHEMICAL PHYSICS 126 ( 4 ) 2007年01月28日

ISSN: 0021-9606

DOI
Computational study on the relative acidity of acetic acid by the QM/MM method combined with the theory of energy representation

Hori, T; Takahashi, H; Furukawa, SI; Nakano, M; Yang, WT

JOURNAL OF PHYSICAL CHEMISTRY B 111 ( 3 ) 581 - 588 2007年01月25日

ISSN: 1520-6106

DOI
63Cu NMR spectroscopy of Copper(I) complexes with various tridentate ligands:: CO as a useful 63Cu NMR probe for sharpening 63Cu NMR signals and analyzing the electronic donor effect of a ligand

Kujime, M; Kurahashi, T; Tomura, M; Fujii, H

INORGANIC CHEMISTRY 46 ( 2 ) 541 - 551 2007年01月22日

ISSN: 0020-1669

DOI
Occurrence of a rare 49•66 structural topology, chirality, and weak ferromagnetism in the [NH4][MII(HCOO)3] (M = Mn, Co, Ni) frameworks

Wang, ZM; Zhang, B; Inoue, K; Fujiwara, H; Otsuka, T; Kobayashi, H; Kurmoo, M

INORGANIC CHEMISTRY 46 ( 2 ) 437 - 445 2007年01月22日

ISSN: 0020-1669

DOI
Grid-based energy density analysis: Implementation and assessment

Imamura, Y; Takahashi, A; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 126 ( 3 ) 2007年01月21日

ISSN: 0021-9606

DOI
Molecular dynamics study of gas-liquid aqueous sodium halide interfaces. I. Flexible and polarizable molecular modeling and interfacial properties

Ishiyama, T; Morita, A

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 2 ) 721 - 737 2007年01月18日

ISSN: 1932-7447

DOI
Molecular dynamics study of gas-liquid aqueous sodium halide interfaces. II. Analysis of vibrational sum frequency generation spectra

Ishiyama, T; Morita, A

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 2 ) 738 - 748 2007年01月18日

ISSN: 1932-7447

DOI
Quantum treatment of hydrogen nuclei in primary kinetic isotope effects in a thermal [1,5]-sigmatropic hydrogen (or deuterium) shift from (Z)-1,3-pentadiene

Itou, Y; Mori, S; Udagawa, T; Tachikawa, M; Ishimoto, T; Nagashima, U

JOURNAL OF PHYSICAL CHEMISTRY A 111 ( 2 ) 261 - 267 2007年01月18日

ISSN: 1089-5639

DOI
Synthesis and characterization of a novel chiral molecular-based ferrimagnet prepared from a chiral nitronyl nitroxide radical and manganese(II) ion

Akita-Tanaka, M; Kumagai, H; Markosyan, A; Inoue, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 80 ( 1 ) 204 - 207 2007年01月15日

ISSN: 0009-2673

DOI
Hybrid treatment combining the translation- and rotation-free nuclear orbital plus molecular orbital theory with generator coordinate method: TRF-NOMO/GCM

Sodeyama, K; Nishizawa, H; Hoshino, M; Kobayashi, M; Nakai, H

CHEMICAL PHYSICS LETTERS 433 ( 4-6 ) 409 - 415 2007年01月12日

ISSN: 0009-2614

DOI
Probing cations recognized by a crown ether with the 3D-RISM theory

Ikuta, Y; Maruyama, Y; Matsugami, M; Hirata, F

CHEMICAL PHYSICS LETTERS 433 ( 4-6 ) 403 - 408 2007年01月12日

ISSN: 0009-2614

DOI
Theoretical investigation of optimized structures of thiolated gold cluster [Au25(SCH3)18]+

Iwasa, T; Nobusada, K

JOURNAL OF PHYSICAL CHEMISTRY C 111 ( 1 ) 45 - 49 2007年01月11日

ISSN: 1932-7447

DOI
The effect of fluorination on pentacene/gold interface energetics and charge reorganization energy

Koch, N; Vollmer, A; Duhm, S; Sakamoto, Y; Suzuki, T

ADVANCED MATERIALS 19 ( 1 ) 112 - + 2007年01月08日

ISSN: 0935-9648

DOI
BSSE-corrected three-body interaction energy in the recognition of GC base pair by asparagine

Yoshida, T; Aida, M

CHEMISTRY LETTERS 36 ( 1 ) 124 - 125 2007年01月05日

ISSN: 0366-7022

DOI
Synthesis of an enantiopure syn-benzocyclotrimer through regio-selective cyclotrimerization of a halonorbornene derivative under palladium nanocluster conditions

Higashibayashi, S; Sakurai, H

CHEMISTRY LETTERS 36 ( 1 ) 18 - 19 2007年01月05日

ISSN: 0366-7022

DOI
Singlet biradical character of phenalenyl-based Kekule hydrocarbon with naphthoquinoid structure

Kubo, T; Shimizu, A; Uruichi, M; Yakushi, K; Nakano, M; Shiomi, D; Sato, K; Takui, T; Morita, Y; Na … 全著者表示

ORGANIC LETTERS 9 ( 1 ) 81 - 84 2007年01月04日

ISSN: 1523-7060

DOI
Automated design of protecting molecules for metal nanoparticles by combinatorial molecular simulations

Nagata, T

JOURNAL OF ORGANOMETALLIC CHEMISTRY 692 ( 1-3 ) 225 - 233 2007年01月01日

ISSN: 0022-328X

DOI
Development of an amphiphilic resin-dispersion of nanopalladium catalyst: Design, preparation, and its use in aquacatalytic hydrodechlorination and aerobic oxidation

Uozumi, Y; Nakao, R; Rhee, H

JOURNAL OF ORGANOMETALLIC CHEMISTRY 692 ( 1-3 ) 420 - 427 2007年01月01日

ISSN: 0022-328X

DOI
Effects of bulky substituent groups on the Si-Si triple bonding in RSi≡SiR and the short Ga-Ga distance in Na2[RGaGaR]:: A theoretical study

Takagi, N; Nagase, S

JOURNAL OF ORGANOMETALLIC CHEMISTRY 692 ( 1-3 ) 217 - 224 2007年01月01日

ISSN: 0022-328X

DOI
Oxidative homo-coupling of potassium aryltrifluoroborates catalyzed by gold nanocluster under aerobic conditions

Sakurai, H; Tsunoyama, H; Tsukuda, T

JOURNAL OF ORGANOMETALLIC CHEMISTRY 692 ( 1-3 ) 368 - 374 2007年01月01日

ISSN: 0022-328X

DOI
Structural study of Co/Pd(111) and CO/Co/Pd(111) by surface X-ray absorption fine structure spectroscopy

Miyawaki, J; Matsumura, D; Nojima, A; Yokoyama, T; Ohta, T

SURFACE SCIENCE 601 ( 1 ) 95 - 103 2007年01月01日

ISSN: 0039-6028

DOI
Study on Cross-over Change from Metal to Insulator in the Electronic States of Copper-spinel Compounds under High Pressure

Irizawa, A; Kobayashi, M; Satoh, K; Nanba, T; Chen, L; Matsumoto, T; Matsunami, M; Ito, M; Suzuki, … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 13 - 14 2007年01月01日

ISSN: 0031-9015

DOI
Synthesis and structural determination of new multidimensional coordination polymers with 4,4′-oxybis(benzoate) building ligands:: Construction of coordination polymers with heteroorganic bridges

Kondo, M; Irie, Y; Miyazawa, M; Kawaguchi, H; Yasue, S; Maeda, K; Uchida, F

JOURNAL OF ORGANOMETALLIC CHEMISTRY 692 ( 1-3 ) 136 - 141 2007年01月01日

ISSN: 0022-328X

DOI
Zirconium complexes of the tridentate bis(aryloxide)-N-heterocyclic-carbene ligand:: Chloride and alkyl functionalized derivatives

Zhang, D; Aihara, H; Watanabe, T; Matsuo, T; Kawaguchi, H

JOURNAL OF ORGANOMETALLIC CHEMISTRY 692 ( 1-3 ) 234 - 242 2007年01月01日

ISSN: 0022-328X

DOI
[MoFe3S4]3+ and [MoFe3S4]2+ cubane clusters containing a pentamethylcyclopentadienyl molybdenum moiety

Komuro, T; Kawaguchi, H; Lang, JP; Nagasawa, T; Tatsumi, K

JOURNAL OF ORGANOMETALLIC CHEMISTRY 692 ( 1-3 ) 1 - 9 2007年01月01日

ISSN: 0022-328X

DOI
A new generalized-ensemble algorithm: multicanonical-multioverlap algorithm

Itoh, SG; Okamoto, Y

MOLECULAR SIMULATION 33 ( 1-2 ) 83 - 89 2007年01月

ISSN: 0892-7022

DOI
Analysis of self-interaction correction for describing core excited states

Imamura, Y; Nakai, H

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 1 ) 23 - 29 2007年01月

ISSN: 0020-7608

DOI
Electronic states of the DNA polynucleotides poly(dG)-poly(dC) in the presence of iodine

Furukawa, M; Kato, HS; Taniguchi, M; Kawai, T; Hatsui, T; Kosugi, N; Yoshida, T; Aida, M; Kawai, M

PHYSICAL REVIEW B 75 ( 4 ) 2007年01月

ISSN: 2469-9950

DOI
Infrared study of the valence transition compound YbInCu4 using cleaved surfaces

Okamura, H; Michizawa, T; Nanba, T; Ebihara, T

PHYSICAL REVIEW B 75 ( 4 ) 2007年01月

ISSN: 1098-0121

DOI
Luminescence properties of piezoelectric single crystals with langasite structure

Itoh, M; Takagi, S; Kitaura, M; Fujita, M; Endo, N

JOURNAL OF LUMINESCENCE 122 205 - 207 2007年01月

ISSN: 0022-2313

DOI
Magnetic-field-induced superconductor-insulator-metal transition in an organic conductor: An infrared magneto-optical imaging spectroscopic study

Nishi, T; Kimura, S; Takahashi, T; Im, H; Kwon, YS; Ito, T

PHYSICAL REVIEW B 75 ( 1 ) 2007年01月

ISSN: 1098-0121

DOI
Methods for imaging and analyses of intracellular organelles using fluorescent and luminescent proteins

Takeuchi, M; Ozawa, T

ANALYTICAL SCIENCES 23 ( 1 ) 25 - 29 2007年01月

ISSN: 0910-6340

DOI
Optical properties of Bi3+ ions doped in NaYF4

Chong, KJ; Hirai, T; Kawai, T; Hashimoto, S; Ohno, N

JOURNAL OF LUMINESCENCE 122 149 - 151 2007年01月

ISSN: 0022-2313

DOI
Replica-exchange molecular dynamics simulation of diffracted X-ray tracking

Kawashima, Y; Sasaki, YC; Sugita, Y; Yoda, T; Okamoto, Y

MOLECULAR SIMULATION 33 ( 1-2 ) 97 - 102 2007年01月

ISSN: 0892-7022

DOI
Systematic theoretical investigations InxGa1-xN thin films of compositional inhomogeneity in on GaN(0001)

Ito, T; Inahama, S; Akiyama, T; Nakamura, K

JOURNAL OF CRYSTAL GROWTH 298 186 - 189 2007年01月

ISSN: 0022-0248

DOI
Theoretical study on superconductivity in boron-doped diamond

Shirakawa, T; Horiuchi, S; Ohta, Y; Fukuyama, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 76 ( 1 ) 2007年01月

ISSN: 0031-9015

DOI
Theory of chemical bonds in metalloenzymes III: Full geometry optimization and vibration analysis of ferredoxin-type [2Fe-2S] cluster

Shoji, M; Koizumi, K; Taniguchi, T; Kitagawa, Y; Yamanaka, S; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 107 ( 1 ) 116 - 133 2007年01月

ISSN: 0020-7608

DOI
Unusual one-dimensional branched-chain structures assembled by a novel imidazole-containing tripodal ligand with cadmium(II) salts and their fluorescent property

Kong, LY; Lu, XH; Huang, YQ; Kawaguchi, H; Chu, Q; Zhu, HF; Sun, WY

JOURNAL OF SOLID STATE CHEMISTRY 180 ( 1 ) 331 - 338 2007年01月

ISSN: 0022-4596

DOI
A CAS-DFT study of fundamental degenerate and nearly degenerate systems

Ukai, T; Nakata, K; Yamanaka, S; Takada, T; Yamaguchi, K

MOLECULAR PHYSICS 105 ( 19-22 ) 2667 - 2679 2007年

ISSN: 0026-8976

DOI
A nanoplatinum catalyst for aerobic oxidation of alcohols in water

Yamada, YMA; Arakawa, T; Hocke, H; Uozumi, Y

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 5 ) 704 - 706 2007年

ISSN: 1433-7851

DOI
Computations of production yields for Ba@C74 and Yb@C74

Slanina, Z; Uhlik, F; Lee, SL; Adamowicz, L; Nagase, S

MOLECULAR SIMULATION 33 ( 7 ) 563 - 568 2007年

ISSN: 0892-7022

DOI
Coordination and solvation of copper ion:: infrared photodissociation spectroscopy of Cu+ (NH3)n (n=3-8)

Inoue, K; Ohashi, K; Iino, T; Judai, K; Nishi, N; Sekiya, H

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 9 ( 34 ) 4793 - 4802 2007年

ISSN: 1463-9076

DOI
Cyclic luciferase for real-time sensing of caspase-3 activities in living mammals

Kanno, A; Yamanaka, Y; Hirano, H; Umezawa, Y; Ozawa, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 40 ) 7595 - 7599 2007年

ISSN: 1433-7851

DOI
Dendritic architectures for design of photo- and spin-functional nanomaterials

He, Z; Ishizuka, T; Jiangi, DL

POLYMER JOURNAL 39 ( 9 ) 889 - 922 2007年

ISSN: 0032-3896

DOI
Density functional theory study on the reaction mechanism of reductants for electroless Ag deposition process

Shimada, T; Nakai, H; Homma, T

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 154 ( 4 ) D273 - D276 2007年

ISSN: 0013-4651

DOI
Dinitrogen cleavage by a diniobium tetrahydride complex: Formation of a nitride and its conversion into imide species

Akagi, F; Matsuo, T; Kawaguchi, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 46 ) 8778 - 8781 2007年

ISSN: 1433-7851

DOI
Dipyrrolylpyrazoles: anion receptors in protonated form and efficient building blocks for organized structures

Maeda, H; Ito, Y; Kusunose, Y; Nakanishi, T

CHEMICAL COMMUNICATIONS ( 11 ) 1136 - 1138 2007年

ISSN: 1359-7345

DOI
Electrochemical and photochemical behavior of a ruthenium(II) complex bearing two redox sites as a model for the NAD+/NADH redox couple

Tannai, H; Koizumi, TA; Wada, T; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 37 ) 7112 - 7115 2007年

ISSN: 1433-7851

DOI
Experimental and theoretical investigations for excitation properties of Ba1-xEuxMgAl10O17

Yoshida, H; Yamazaki, T; Toyoshima, H; Watanabe, S; Ogasawara, K; Yamamoto, H

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 154 ( 7 ) J196 - J200 2007年

ISSN: 0013-4651

DOI
Experimental and theoretical studies of the scandium carbide endohedral metallofullerene Sc2C2@C82 and its carbene derivative

Iiduka, Y; Wakahara, T; Nakajima, K; Nakahodo, T; Tsuchiya, T; Maeda, Y; Akasaka, T; Yoza, K; Liu, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 29 ) 5562 - 5564 2007年

ISSN: 1433-7851

DOI
Explosive evolution of hydrogen abstraction of water on oxidized Ag(110) surfaces studied by scanning tunnelling microscopy

Nakagoe, O; Takagi, N; Watanabe, K; Matsumoto, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 9 ( 38 ) 5274 - 5278 2007年

ISSN: 1463-9076

DOI
Generation of a RuII-semiquinone-anilino-radical complex through the deprotonation of a RuIII-semiquinone-anilido complex

Miyazato, Y; Wada, T; Muckerman, JT; Fujita, E; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 30 ) 5728 - 5730 2007年

ISSN: 1433-7851

DOI
Hydrogen bonding self-assemblies with 1-D linear, dimeric and hexagonal nanostructures of meso-pyridyl-substituted dipyrromethanes

Maeda, H; Hasegawa, M; Ueda, A

CHEMICAL COMMUNICATIONS ( 26 ) 2726 - 2728 2007年

ISSN: 1359-7345

DOI
Is the divide-and-conquer Hartree-Fock method valid for calculations of delocalized systems?

Akama, T; Fujii, A; Kobayashi, M; Nakai, H

MOLECULAR PHYSICS 105 ( 19-22 ) 2799 - 2804 2007年

ISSN: 0026-8976

DOI
Isotope effect in dihydrogen-bonded systems: application of the analytical energy gradient method in the nuclear orbital plus molecular orbital theory

Nakai, H; Ikabata, Y; Tsukamoto, Y; Imamura, Y; Miyamoto, K; Hoshino, M

MOLECULAR PHYSICS 105 ( 19-22 ) 2649 - 2657 2007年

ISSN: 0026-8976

DOI
Manipulating the through-space spin-spin interaction of organic radicals in the confined cavity of a self-assembled cage

Nakabayashi, K; Kawano, M; Kato, T; Furukawa, K; Ohkoshi, S; Hozumi, T; Fujita, M

CHEMISTRY-AN ASIAN JOURNAL 2 ( 1 ) 164 - 170 2007年

ISSN: 1861-4728

DOI
Micro- and nanometer-scale porous, fibrous, and sheet architectures constructed by supramolecular assemblies of dipyrrolyldiketones

Maeda, H; Kusunose, Y; Terasaki, M; Ito, Y; Fujimoto, C; Fujii, R; Nakanishi, T

CHEMISTRY-AN ASIAN JOURNAL 2 ( 3 ) 350 - 357 2007年

ISSN: 1861-4728

DOI
Nanoscale metal coordination macrocycles fabricated by using "Dimeric" dipyrrins

Maeda, H; Hashimoto, T

CHEMISTRY-A EUROPEAN JOURNAL 13 ( 28 ) 7900 - 7907 2007年

ISSN: 0947-6539

DOI
Phase diagram and anomalous constant resistivity state of a magnetic organic superconducting alloy, λ-(BETS)2FexGa1-xCl4

Cui, HB; Kobayashi, H; Kobayashi, A

JOURNAL OF MATERIALS CHEMISTRY 17 ( 1 ) 45 - 48 2007年

ISSN: 0959-9428

DOI
Photochemical and radiolytic production of an organic hydride donor with a RuII complex containing an NAD+ model ligand

Polyansky, D; Cabelli, D; Muckerman, JT; Fujita, E; Koizumi, T; Fukushima, T; Wada, T; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 22 ) 4169 - 4172 2007年

ISSN: 1433-7851

DOI
Preparation, structure, and magnetic interaction of a Mn(hfac)2-bridged [2-(3-pyridyl)(nitronyl nitroxide)-Mn(hfac)2]2 chain complex

Okada, K; Beppu, S; Tanaka, K; Kuratsu, M; Furuichi, K; Kozaki, M; Suzuki, S; Shiomi, D; Sato, K; T … 全著者表示

CHEMICAL COMMUNICATIONS ( 24 ) 2485 - 2487 2007年

ISSN: 1359-7345

DOI
Single-molecule measurements with a single quantum dot

Kaji, N; Tokeshi, M; Baba, Y

CHEMICAL RECORD 7 ( 5 ) 295 - 304 2007年

ISSN: 1527-8999

DOI
Strong two-photon absorption of singlet diradical hydrocarbons

Kamada, K; Ohta, K; Kubo, T; Shimizu, A; Morita, Y; Nakasuji, K; Kishi, R; Ohta, S; Furukawa, S; Ta … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 19 ) 3544 - 3546 2007年

ISSN: 1433-7851

DOI
Synthesis and characterization of acetylene-linked bisphenalenyl and metallic-like Behavior in its charge-transfer complex

Kubo, T; Goto, Y; Uruichi, M; Yakushi, K; Nakano, M; Fuyuhiro, A; Morita, Y; Nakasuji, K

CHEMISTRY-AN ASIAN JOURNAL 2 ( 11 ) 1370 - 1379 2007年

ISSN: 1861-4728

DOI
Synthesis of calix[3]dipyrrins by a modified Lindsey protocol

Inoue, M; Ikeda, C; Kawata, Y; Venkatraman, S; Furukawa, K; Osuka, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 46 ( 13 ) 2306 - 2309 2007年

ISSN: 1433-7851

DOI
Synthesis, crystal structure and photoluminescence property of Zinc(II), cadmium(II), and lead(II) complexes with bidentate ligand: 1-(1-imidazolyl)4-(imidazol-1-ylmethyl)benzene (IIMB)

Chu, Q; Kong, LY; Okamura, TA; Kawaguchi, H; Meng, WL; Sun, WY; Ueyama, N

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE 633 ( 2 ) 326 - 331 2007年

ISSN: 0044-2313

DOI
Synthesis, physical properties and field-effect transistors of novel thiazolothiazole-phenylene co-oligomers

Ando, S; Kumaki, D; Nishida, J; Tada, H; Inoue, Y; Tokito, S; Yamashita, Y

JOURNAL OF MATERIALS CHEMISTRY 17 ( 6 ) 553 - 558 2007年

ISSN: 0959-9428

DOI
Dimerization and double proton transfer-induced tautomerism of 4(3H)-pyrimidinone in solution studied by IR spectroscopy and quantum chemical calculations

Padermshoke, A; Katsumoto, Y; Aida, M

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 51 ) 26388 - 26395 2006年12月28日

ISSN: 1520-6106

DOI
N plus NO reaction on Rh(111) surfaces studied with fast near-edge X-ray absorption fine structure spectroscopy: Role of NO dimer as an extrinsic precursor

Nakai, I; Kondoh, H; Shimada, T; Nagasaka, M; Yokota, R; Amemiya, K; Orita, H; Ohta, T

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 51 ) 25578 - 25581 2006年12月28日

ISSN: 1520-6106

DOI
Crystal structure and peroxidase activity of myoglobin reconstituted with iron porphycene

Hayashi, T; Murata, D; Makino, M; Sugimoto, H; Matsuo, T; Sato, H; Shiro, Y; Hisaeda, Y

INORGANIC CHEMISTRY 45 ( 26 ) 10530 - 10536 2006年12月25日

ISSN: 0020-1669

DOI
Exciton recurrence motion in aggregate systems in the presence of quantized optical fields

Nakano, M; Ohta, S; Kishi, R; Nate, M; Takahashi, H; Furukawa, SI; Nitta, H; Yamaguchi, K

JOURNAL OF CHEMICAL PHYSICS 125 ( 23 ) 2006年12月21日

ISSN: 0021-9606

DOI
Instantaneous carbon-carbon bond formation using a microchannel reactor with a catalytic membrane

Uozumi, Y; Yamada, YMA; Beppu, T; Fukuyama, N; Ueno, M; Kitamori, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 50 ) 15994 - 15995 2006年12月20日

ISSN: 0002-7863

DOI
Electronic and nuclear responses of fixed-in-space H2S to ultrashort intense laser fields

Hishikawa, A; Takahashi, EJ; Matsuda, A

PHYSICAL REVIEW LETTERS 97 ( 24 ) 2006年12月15日

ISSN: 0031-9007

DOI
Properties of resonant interatomic coulombic decay in Ne dimers

Aoto, T; Ito, K; Hikosaka, Y; Shigemasa, E; Penent, F; Lablanquie, P

PHYSICAL REVIEW LETTERS 97 ( 24 ) 2006年12月15日

ISSN: 0031-9007

DOI
Energy transfer pathways relevant for long-range intramolecular signaling of photosensory protein revealed by microscopic energy conductivity analysis

Ishikura, T; Yamato, T

CHEMICAL PHYSICS LETTERS 432 ( 4-6 ) 533 - 537 2006年12月11日

ISSN: 0009-2614

DOI
Enhancement of the Curie temperature by isomerization of diarylethene (DAE) for an organic-inorganic hybrid system:: Co4(OH)7(DAE)0.5•3H2O

Shimizu, H; Okubo, M; Nakamoto, A; Enomoto, M; Kojima, N

INORGANIC CHEMISTRY 45 ( 25 ) 10240 - 10247 2006年12月11日

ISSN: 0020-1669

DOI
Second hyperpolarizabilities (γ) of open-shell singlet one-dimensional systems:: Intersite interaction effects on the average diradical character and size dependences of γ

Nakano, M; Takebe, A; Kishi, R; Ohta, S; Nate, M; Kubo, T; Kamada, K; Ohta, K; Champagne, B; Botek, … 全著者表示

CHEMICAL PHYSICS LETTERS 432 ( 4-6 ) 473 - 479 2006年12月11日

ISSN: 0009-2614

DOI
Control of nonadiabatic dissociation dynamics with the use of laser-induced wave packet interferences

Nagaya, K; Lin, SH; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 125 ( 21 ) 2006年12月07日

ISSN: 0021-9606

DOI
Topographical complexity of multidimensional energy landscapes

Rylance, GJ; Johnston, RL; Matsunaga, Y; Li, CB; Baba, A; Komatsuzaki, T

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 103 ( 49 ) 18551 - 18555 2006年12月05日

ISSN: 0027-8424

DOI
A general algorithm for calculation of Heisenberg exchange integrals J in multispin systems

Shoji, M; Koizumi, K; Kitagawa, Y; Kawakami, T; Yamanaka, S; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 432 ( 1-3 ) 343 - 347 2006年12月04日

ISSN: 0009-2614

DOI
Area-selective deposition of self-assembled monolayers on SiO2/Si(100) patterns

Wang, CS; Pan, X; Sun, CY; Urisu, T

APPLIED PHYSICS LETTERS 89 ( 23 ) 2006年12月04日

ISSN: 0003-6951

DOI
On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study

Fujimoto, K; Hasegawa, JY; Hayashi, S; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 432 ( 1-3 ) 252 - 256 2006年12月04日

ISSN: 0009-2614

DOI
Syntheses, structures, and DFT calculations of phosphenium phosphite complexes of molybdenum: Preference of nonbridging form to bridging form of a donor group

Nakazawa, H; Miyoshi, Y; Katayama, T; Mizuta, T; Miyoshi, K; Tsuchida, N; Ono, A; Takano, K

ORGANOMETALLICS 25 ( 25 ) 5913 - 5921 2006年12月04日

ISSN: 0276-7333

DOI
Landau-Zener transition in photoassociation of cold atoms: strong interaction limit

Ishkhanyan, A; Javanainen, J; Nakamura, H

JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL 39 ( 48 ) 14887 - 14893 2006年12月01日

ISSN: 0305-4470

DOI
A method for the fabrication of sculptured thin films of periodic arrays of standing nanorods

Tanaka, H; Horn, MW; Weiss, PS

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 6 ( 12 ) 3799 - 3802 2006年12月

ISSN: 1533-4880

DOI
CASSCF version of density functional theory

Nakata, K; Ukai, T; Yamanaka, S; Takada, T; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 106 ( 15 ) 3325 - 3333 2006年12月

ISSN: 0020-7608

DOI
Decoding the state distribution in a nonadiabatic rotational excitation by a nonresonant intense laser field

Hasegawa, H; Ohshima, Y

PHYSICAL REVIEW A 74 ( 6 ) 2006年12月

ISSN: 1050-2947

DOI
Electronic structure and photochemistry of inorganic photochromic complex [Cu(N,N′-diethylethylenediamine)2]2+:: planar-tetrahedral geometry change accompanied with d9-d10 electronic transition

Mori, H; Ishii, K; Miyoshi, E

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 5 ( 4 ) 887 - 894 2006年12月

ISSN: 0219-6336

DOI
Mass spectrometric and theoretical studies on the fragmentation mechanism of protonated molecules and molecular radical cations of organometallic compounds with Si-C, Si-Si, Ge-C and Ge-Ge bonds

Takeuchi, T; Shirai, Y; Matsumura, Y; Iwai, K; Matsutani, T; Oshita, J; Naka, A

SURFACE AND INTERFACE ANALYSIS 38 ( 12-13 ) 1650 - 1653 2006年12月

ISSN: 0142-2421

DOI
Modified oxygen vacancy induced Fermi level pinning model extendable to p-metal pinning

Akasaka, Y; Nakamura, G; Shiraish, K; Umezawa, N; Yamabe, K; Ogawa, O; Lee, M; Amiaka, T; Kasuya, T … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 45 ( 46-50 ) L1289 - L1292 2006年12月

ISSN: 0021-4922

DOI
Multireference density functional theory with orbital-dependent correlation corrections

Yamanaka, S; Nakata, K; Ukai, T; Takada, T; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 106 ( 15 ) 3312 - 3324 2006年12月

ISSN: 0020-7608

DOI
Noise analysis of Si-based planar-type ion-channel biosensors

Uno, H; Zhang, ZL; Suzui, M; Tero, R; Nonogaki, Y; Nakao, S; Seki, S; Tagawa, S; Oiki, S; Urisu, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 45 ( 46-50 ) L1334 - L1336 2006年12月

ISSN: 0021-4922

DOI
Origin of the π-facial stereoselectivity in the addition of nucleophilic reagents to chiral aliphatic ketones as evidenced by high-level ab initio molecular-orbital calculations

Takahashi, O; Yamasaki, K; Kohno, Y; Ueda, K; Suezawa, H; Nishio, M

CHEMISTRY-AN ASIAN JOURNAL 1 ( 6 ) 852 - 859 2006年12月

ISSN: 1861-4728

DOI
Resonating broken-symmetry approach to biradicals and polyradicals

Takeda, R; Yamanaka, S; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 106 ( 15 ) 3303 - 3311 2006年12月

ISSN: 0020-7608

DOI
Strong-coupling limit in cold-molecule formation via photoassociation or Feshbach resonance through Nikitin exponential resonance crossing

Ishkhanyan, A; Nakamura, H

PHYSICAL REVIEW A 74 ( 6 ) 2006年12月

ISSN: 1050-2947

DOI
Systematic regulation of the enzymatic activity of phenylacetaldoxime dehydratase by exogenous ligands

Kobayashi, K; Kubo, M; Yoshioka, S; Kitagawa, T; Kato, Y; Asano, Y; Aono, S

CHEMBIOCHEM 7 ( 12 ) 2004 - 2009 2006年12月

ISSN: 1439-4227

DOI
The effect of BN addition on thermal shock behavior of fiber reinforced porous ceramic composite

Ma, XD; Ohtsuka, T; Hayashi, S; Nakagawa, ZE

COMPOSITES SCIENCE AND TECHNOLOGY 66 ( 15 ) 3089 - 3093 2006年12月

ISSN: 0266-3538

DOI
Theory of chemical bonds in metalloenzymes V: Hybrid-DFT studies of the inorganic [8Fe-7S] core

Shoji, M; Koizumi, K; Kitagawa, Y; Yamanaka, S; Okumura, M; Yamaguchi, K; Ohki, Y; Sunada, Y; Honda … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 106 ( 15 ) 3288 - 3302 2006年12月

ISSN: 0020-7608

DOI
Computed structures of two known Yb@ C74 isomers

Slanina, Z; Uhlík, F; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 47 ) 12860 - 12863 2006年11月30日

ISSN: 1089-5639

DOI
Theoretical studies on the ene reaction mechanisms of propene and cyclopropene with ethylene and cyclopropene: Concerted or stepwise

Sakai, S

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 47 ) 12891 - 12899 2006年11月30日

ISSN: 1089-5639

DOI
Ferroelectric porous molecular crystal, [Mn3(HCOO)6](C2H5OH), exhibiting ferrimagnetic transition

Cui, HB; Wang, ZM; Takahashi, K; Okano, Y; Kobayashi, H; Kobayashi, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 47 ) 15074 - 15075 2006年11月29日

ISSN: 0002-7863

DOI
Second-order Moller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix

Kobayashi, M; Akama, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 125 ( 20 ) 2006年11月28日

ISSN: 0021-9606

DOI
Inner-shell excitation spectroscopy and fragmentation of small hydrogen-bonded clusters of formic acid after core excitations at the oxygen K edge

Tabayashi, K; Yamamoto, K; Takahashi, O; Tamenori, Y; Harries, JR; Gejo, T; Iseda, M; Tamura, T; Ho … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 125 ( 19 ) 2006年11月21日

ISSN: 0021-9606

DOI
Low-loss single-mode terahertz waveguiding using Cytop

Reyes, GDL; Quema, A; Ponseca, C; Pobre, R; Quiroga, R; Ono, S; Murakami, H; Estacio, E; Sarukura, … 全著者表示

APPLIED PHYSICS LETTERS 89 ( 21 ) 2006年11月20日

ISSN: 0003-6951

DOI
Computational analysis of the proton translocation from Asp96 to Schiff base in bacteriorhodopsin

Sato, Y; Hata, M; Neya, S; Hoshino, T

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 45 ) 22804 - 22812 2006年11月16日

ISSN: 1520-6106

DOI
Selective extraction and purification of endohedral metallofullerene from carbon soot

Tsuchiya, T; Wakahara, T; Lian, YF; Maeda, Y; Akasaka, T; Kato, T; Mizorogi, N; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 45 ) 22517 - 22520 2006年11月16日

ISSN: 1520-6106

DOI
Accurate evaluation of the absorption maxima of retinal proteins based on a hybrid QM/MM method

Matsuura, A; Sato, H; Houjou, H; Saito, S; Hayashi, T; Sakurai, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 27 ( 14 ) 1623 - 1630 2006年11月15日

ISSN: 0192-8651

DOI
Spin-site exchange system constructed from endohedral metallofullerenes and organic donors

Tsuchiya, T; Sato, K; Kurihara, H; Wakahara, T; Maeda, Y; Akasaka, T; Ohkubo, K; Fukuzumi, S; Kato, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 45 ) 14418 - 14419 2006年11月15日

ISSN: 0002-7863

DOI
Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory: Contribution of the first-order rovibration coupling

Miyamoto, K; Hoshino, M; Nakai, H

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 2 ( 6 ) 1544 - 1550 2006年11月14日

ISSN: 1549-9618

DOI
Do Eu@C82 and Gd@C82 have an anomalous endohedral structure?

Mizorogi, N; Nagase, S

CHEMICAL PHYSICS LETTERS 431 ( 1-3 ) 110 - 112 2006年11月11日

ISSN: 0009-2614

DOI
Intermolecular correlation effect in sum frequency generation spectroscopy of electrolyte aqueous solution

Ishiyama, T; Morita, A

CHEMICAL PHYSICS LETTERS 431 ( 1-3 ) 78 - 82 2006年11月11日

ISSN: 0009-2614

DOI
Doping variation of orbitally induced anisotropy in the electronic structure of La1-xSrxVO3

Fujioka, J; Miyasaka, S; Tokura, Y

PHYSICAL REVIEW LETTERS 97 ( 19 ) 2006年11月10日

ISSN: 0031-9007

DOI
Reaction coordinate analysis of the S1-S0 internal conversion of azulene

Amatatsu, Y; Komura, Y

JOURNAL OF CHEMICAL PHYSICS 125 ( 17 ) 2006年11月07日

ISSN: 0021-9606

DOI
Alkylative Cyclization of 1,6-enynes in water with an amphiphilic resin-supported palladium catalyst

Nakai, Y; Kimura, T; Uozumi, Y

SYNLETT ( 18 ) 3065 - 3068 2006年11月03日

ISSN: 0936-5214

DOI
Self-assembly of copper acetylide molecules into extremely thin nanowires and nanocables

Judai, K; Nishijo, J; Nishi, N

ADVANCED MATERIALS 18 ( 21 ) 2842 - + 2006年11月03日

ISSN: 0935-9648

DOI
52 mJ narrow-bandwidth degenerated optical parametric system with a large-aperture periodically poled MgO: LiNbO3 device

Saikawa, J; Fujii, M; Ishizuki, H; Taira, T

OPTICS LETTERS 31 ( 21 ) 3149 - 3151 2006年11月01日

ISSN: 0146-9592

DOI
Coherent surface phonon dynamics at K-covered Pt(111) surfaces investigated by time-resolved second harmonic generation

Fuyuki, M; Watanabe, K; Matsumoto, Y

PHYSICAL REVIEW B 74 ( 19 ) 2006年11月

ISSN: 2469-9950

DOI
Electronic structures and optical properties of butyl-passivated Si nanoparticles

Tanaka, A; Saito, R; Kamikake, T; Imamura, M; Yasuda, H

SOLID STATE COMMUNICATIONS 140 ( 7-8 ) 400 - 403 2006年11月

ISSN: 0038-1098

DOI
Experimental demonstration, using polarized Raman and infrared spectroscopy, that both conventional and de Vries smectic-A phases may exist in smectic liquid crystals with a first-order A-C* transition

Hayashi, N; Kocot, A; Linehan, MJ; Fukuda, A; Vij, JK; Heppke, G; Naciri, J; Kawada, S; Kondoh, S

PHYSICAL REVIEW E 74 ( 5 ) 2006年11月

ISSN: 1539-3755

DOI
Infrared absorption change in single-walled carbon nanotubes observed by combination spectroscopy of synchrotron radiation and laser

Azuma, J; Itoh, M; Koike, M; Kamada, M; Endo, M

JOURNAL OF SYNCHROTRON RADIATION 13 464 - 467 2006年11月

ISSN: 0909-0495

DOI
NEXAFS study on carbon-based material formed by focused-ion-beam chemical-vapor-deposition

Kanda, K; Igaki, JY; Kato, Y; Kometani, R; Saikubo, A; Matsui, S

RADIATION PHYSICS AND CHEMISTRY 75 ( 11 ) 1850 - 1854 2006年11月

ISSN: 0969-806X

DOI
Substrate deacylation mechanisms of serine-β-lactamases

Hata, M; Fujii, Y; Tanaka, Y; Ishikawa, H; Ishii, M; Neya, S; Tsuda, M; Hoshino, T

BIOLOGICAL & PHARMACEUTICAL BULLETIN 29 ( 11 ) 2151 - 2159 2006年11月

ISSN: 0918-6158

DOI
Synchrotron-radiation-stimulated etching of SiO2 thin films with a tungsten nano-pillar mask

Wang, CS; Zhang, XQ; Urisu, T

JOURNAL OF SYNCHROTRON RADIATION 13 432 - 434 2006年11月

ISSN: 0909-0495

DOI
Synthesis, structures and magnetic properties of carbon-encapsulated nanoparticles via thermal decomposition of metal acetylide

Nishijo, J; Okabe, C; Oishi, O; Nishi, N

CARBON 44 ( 14 ) 2943 - 2949 2006年11月

ISSN: 0008-6223

DOI
Experimental and theoretical evaluation of the charge distribution over the ruthenium and dioxolene framework of [Ru(OAc)(dioxolene)(terpy)] (terpy) 2,2′:6′, 2"-terpyridine) depending on the substituents

Wada, T; Yamanaka, M; Fujihara, T; Miyazato, Y; Tanaka, K

INORGANIC CHEMISTRY 45 ( 22 ) 8887 - 8894 2006年10月30日

ISSN: 0020-1669

DOI
The studies of thermal conductivity in GdVO4, YVO4, and Y3Al5O12 measured by quasi-one-dimensional flash method

Sato, Y; Taira, T

OPTICS EXPRESS 14 ( 22 ) 10528 - 10536 2006年10月30日

ISSN: 1094-4087

DOI
Theoretical prediction of optical absorption maxima for photosensory receptor mutants

Kawaguchi, K; Yamato, T

CHEMICAL PHYSICS LETTERS 430 ( 4-6 ) 386 - 390 2006年10月30日

ISSN: 0009-2614

DOI
π-allylic C1-substitution in water with nitromethane using amphiphilic resin-supported palladium complexes

Uozumi, Y; Suzuka, T

JOURNAL OF ORGANIC CHEMISTRY 71 ( 22 ) 8644 - 8646 2006年10月27日

ISSN: 0022-3263

DOI
Below-bandgap excited, terahertz emission of optically pumped GaAs/AlGaAs multiple quantum wells

Estacio, E; Quema, A; Pobre, R; Diwa, G; Ponseca, C; Ono, S; Murakami, H; Somintac, A; Sy, J; Mag-U … 全著者表示

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 183 ( 3 ) 334 - 337 2006年10月25日

ISSN: 1010-6030

DOI
Deprotonation attempts on imidazolium salt tethered by substituted phenol and construction of its magnesium complex by transmetalation

Zhang, D; Kawaguchi, H

ORGANOMETALLICS 25 ( 22 ) 5506 - 5509 2006年10月23日

ISSN: 0276-7333

DOI
Evolutionally conserved intermediates between ubiquitin and NEDD8

Kitahara, R; Yamaguchi, Y; Sakata, E; Kasuya, T; Tanaka, K; Kato, K; Yokoyama, S; Akasaka, K

JOURNAL OF MOLECULAR BIOLOGY 363 ( 2 ) 395 - 404 2006年10月20日

ISSN: 0022-2836

DOI
Mechanism of ion permeation in a model channel:: Free energy surface and dynamics of K+ ion transport in an anion-doped carbon nanotube

Sumikama, T; Saito, S; Ohmine, I

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 41 ) 20671 - 20677 2006年10月19日

ISSN: 1520-6106

DOI
Quantum mechanical study of the proton transfer via a peptide bond in the novel proton translocation pathway of cytochrome c oxidase

Takano, Y; Nakamura, H

CHEMICAL PHYSICS LETTERS 430 ( 1-3 ) 149 - 155 2006年10月19日

ISSN: 0009-2614

DOI
Structural study of NO adsorbed on the reconstructed Pt(110)-(1 x 2) surface with X-ray photoelectron diffraction and near-edge X-ray absorption fine structure spectroscopy

Shimada, T; Kondoh, H; Iwasaki, M; Nakai, I; Nagasaka, M; Amemiya, K; Orita, H; Ohta, T

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 41 ) 20507 - 20512 2006年10月19日

ISSN: 1520-6106

DOI
Comparison of different optical processes of the two-dimensional infrared spectroscopy in the effect of intermolecular vibrational coupling calculated in the time domain:: The case of liquid N,N-Dimethylformamide

Torii, H

VIBRATIONAL SPECTROSCOPY 42 ( 1 ) 140 - 146 2006年10月18日

ISSN: 0924-2031

DOI
Doubly charged four-membered ring systems: Cyclobutadiene dianions and heavy cyclobutadiene dianions

Sekiguchi, A; Matsuo, T

SYNLETT ( 17 ) 2683 - 2698 2006年10月17日

ISSN: 0936-5214

DOI
Novel platinum-ruthenium dinuclear complex bridged by 2-aminoethanethiol

Okamura, R; Wada, T; Tanaka, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 79 ( 10 ) 1535 - 1540 2006年10月15日

ISSN: 0009-2673

DOI
Vortex dynamics and the Fulde-Ferrell-Larkin-Ovchinnikov state in a magnetic-field-induced organic superconductor

Uji, S; Terashima, T; Nishimura, M; Takahide, Y; Konoike, T; Enomoto, K; Cui, H; Kobayashi, H; Koba … 全著者表示

PHYSICAL REVIEW LETTERS 97 ( 15 ) 2006年10月13日

ISSN: 0031-9007

DOI
Coherent vibrations of adsorbates induced by femtosecond laser excitation

Matsumoto, Y; Watanabe, K

CHEMICAL REVIEWS 106 ( 10 ) 4234 - 4260 2006年10月11日

ISSN: 0009-2665

DOI
Visualization of localized intense optical fields in single gold-nanoparticle assemblies and ultrasensitive Raman active sites

Imura, K; Okamoto, H; Hossain, MK; Kitajima, M

NANO LETTERS 6 ( 10 ) 2173 - 2176 2006年10月11日

ISSN: 1530-6984

DOI
Size effect on the catalysis of gold clusters dispersed in water for aerobic oxidation of alcohol

Tsunoyama, H; Sakurai, H; Tsukuda, T

CHEMICAL PHYSICS LETTERS 429 ( 4-6 ) 528 - 532 2006年10月05日

ISSN: 0009-2614

DOI
Structure of water adsorbed on the open Cu(110) surface:: H-up, H-down, or both?

Schiros, T; Haq, S; Ogasawara, H; Takahashi, O; Öström, H; Andersson, K; Pettersson, LGM; Hodgson, … 全著者表示

CHEMICAL PHYSICS LETTERS 429 ( 4-6 ) 415 - 419 2006年10月05日

ISSN: 0009-2614

DOI
Two ligand-binding sites in the O2-sensing signal transducer HemAT:: Implications for ligand recognition/discrimination and signaling

Pinakoulaki, E; Yoshimura, H; Daskalakis, V; Yoshioka, S; Aono, S; Varotsis, C

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 103 ( 40 ) 14796 - 14801 2006年10月03日

ISSN: 0027-8424

DOI
BF2 complex of fluorinated dipyrrolyldiketone:: A new class of efficient receptor for acetate anions

Maeda, H; Ito, Y

INORGANIC CHEMISTRY 45 ( 20 ) 8205 - 8210 2006年10月02日

ISSN: 0020-1669

DOI
Effect of surface chemisorption on the spin reorientation transition in magnetic ultrathin Fe film on Ag(001)

Ma, XD; Nakagawa, T; Yokoyama, T

SURFACE SCIENCE 600 ( 19 ) 4605 - 4612 2006年10月01日

ISSN: 0039-6028

DOI
A computational characterization of N2@C60

Slanina, Z; Nagase, S

MOLECULAR PHYSICS 104 ( 20-21 ) 3167 - 3171 2006年10月

ISSN: 0026-8976

DOI
Adatom-induced spin reorientation transitions and spin canting in Co films on a stepped Cu(001) surface

Nakagawa, T; Watanabe, H; Yokoyama, T

PHYSICAL REVIEW B 74 ( 13 ) 2006年10月

ISSN: 1098-0121

DOI
Coster-Kronig decay of the 2s hole state in HCl observed by sub-natural linewidth Auger electron spectroscopy

Kaneyasu, T; Aoto, T; Hikosaka, Y; Shigemasa, E; Ito, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 153 ( 3 ) 88 - 91 2006年10月

ISSN: 0368-2048

DOI
Dynamics of photoexcited states in one-dimensional dimerized Mott insulators

Maeshima, N; Yonemitsu, K

PHYSICAL REVIEW B 74 ( 15 ) 2006年10月

ISSN: 2469-9950

DOI
Longitudinal and transverse heating of a relativistic electron bunch induced by a storage ring free electron laser

Labat, M; Couprie, ME; Hosaka, M; Mochihashi, A; Katoh, M; Takashima, Y

PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS 9 ( 10 ) 2006年10月

ISSN: 1098-4402

DOI
Optical observation of non-Fermi-liquid behavior in the heavy fermion state of YbRh2Si2

Kimura, S; Sichelschmidt, J; Ferstl, J; Krellner, C; Geibel, C; Steglich, F

PHYSICAL REVIEW B 74 ( 13 ) 2006年10月

ISSN: 1098-0121

DOI
Photo- and redox-active dendritic molecules with soft, layered nanostructures

Kikuzawa, Y; Nagata, T; Tahara, T; Ishii, K

CHEMISTRY-AN ASIAN JOURNAL 1 ( 4 ) 516 - 528 2006年10月

ISSN: 1861-4728

DOI
AFM characterization of gramicidin-A in tethered lipid membrane on silicon surface

Lei, SB; Tero, R; Misawa, N; Yamamura, S; Wan, LJ; Urisu, T

CHEMICAL PHYSICS LETTERS 429 ( 1-3 ) 244 - 249 2006年09月29日

ISSN: 0009-2614

DOI
Second hyperpolarizabilities of polycyclic diphenalenyl radicals:: Effects of para/ortho-quinoid structures and central ring modification

Nakano, M; Nakagawa, N; Ohta, S; Kishi, R; Kubo, T; Kamada, K; Ohta, K; Champagne, B; Botek, E; Tak … 全著者表示

CHEMICAL PHYSICS LETTERS 429 ( 1-3 ) 174 - 179 2006年09月29日

ISSN: 0009-2614

DOI
Dynamics of nonadiabatic chemical reactions

Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 38 ) 10929 - 10946 2006年09月28日

ISSN: 1089-5639

DOI
From carbon dioxide to methane: Homogeneous reduction of carbon dioxide with hydrosilanes catalyzed by zirconium-borane complexes

Matsuo, T; Kawaguchi, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 38 ) 12362 - 12363 2006年09月27日

ISSN: 0002-7863

DOI
One-electron reduction of kinetically stabilized dipnictenes: Synthesis of dipnictene anion radicals

Sasamori, T; Mieda, E; Nagahora, N; Sato, K; Shiomi, D; Takui, T; Hosoi, Y; Furukawa, Y; Takagi, N; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 38 ) 12582 - 12588 2006年09月27日

ISSN: 0002-7863

DOI
Synthesis and biradicaloid character of doubly linked corrole dimers

Hiroto, S; Furukawa, K; Shinokubo, H; Osuka, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 38 ) 12380 - 12381 2006年09月27日

ISSN: 0002-7863

DOI
PCP pincer palladium complexes and their catalytic properties: Synthesis via the electrophilic ligand introduction route

Kimura, T; Uozumi, Y

ORGANOMETALLICS 25 ( 20 ) 4883 - 4887 2006年09月25日

ISSN: 0276-7333

DOI
C1s and O1s photoelectron satellite spectra of CO with symmetry-dependent vibrational excitations

Ehara, M; Kuramoto, K; Nakatsuji, H; Hoshino, M; Tanaka, T; Kitajima, M; Tanaka, H; De Fanis, A; Ta … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 125 ( 11 ) 2006年09月21日

ISSN: 0021-9606

DOI
Direct identification of conformational isomers of adsorbed oligothiophene on Cu(100)

Yokoyama, T; Kurata, S; Tanaka, S

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 37 ) 18130 - 18133 2006年09月21日

ISSN: 1520-6106

DOI
Dispersion and separation of small-diameter single-walled carbon nanotubes

Maeda, Y; Kanda, M; Hashimoto, M; Hasegawa, T; Kimura, S; Lian, YF; Wakahara, T; Akasaka, T; Kazaou … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 37 ) 12239 - 12242 2006年09月20日

ISSN: 0002-7863

DOI
Selective ion-binding by protein probed with the 3D-RISM theory

Yoshida, N; Phongphanphanee, S; Maruyama, Y; Imai, T; Hirata, F

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 37 ) 12042 - 12043 2006年09月20日

ISSN: 0002-7863

DOI
X-ray magnetic circular dichroism of size-selected, thiolated gold clusters

Negishi, Y; Tsunoyama, H; Suzuki, M; Kawamura, N; Matsushita, MM; Maruyama, K; Sugawara, T; Yokoyam … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 37 ) 12034 - 12035 2006年09月20日

ISSN: 0002-7863

DOI
Synthesis and electroluminescence properties of fac-tris(2-phenylpyridine)iridium derivatives containing hole-trapping moieties

Ono, K; Joho, M; Saito, K; Tomura, M; Matsushita, Y; Naka, S; Okada, H; Onnagawa, H

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 18 ) 3676 - 3683 2006年09月18日

ISSN: 1434-1948

DOI
Trigonal-bipyramidal geometry induced by an external water ligand in a sterically hindered iron salen complex, related to the active site of protocatechuate 3,4-dioxygenase

Kurahashi, T; Oda, K; Sugimoto, M; Ogura, T; Fujii, H

INORGANIC CHEMISTRY 45 ( 19 ) 7709 - 7721 2006年09月18日

ISSN: 0020-1669

DOI
Introduction of defects into HfO2 gate dielectrics by metal-gate deposition studied using x-ray photoelectron spectroscopy and positron annihilation

Uedono, A; Naito, T; Otsuka, T; Shiraishi, K; Yamabe, K; Miyazaki, S; Watanabe, H; Umezawa, N; Chik … 全著者表示

JOURNAL OF APPLIED PHYSICS 100 ( 6 ) 2006年09月15日

ISSN: 0021-8979

DOI
Auger decay of Ne 1s photoionization satellites studied by a multi-electron coincidence method

Hikosaka, Y; Aoto, T; Lablanquie, P; Penent, F; Shigemasa, E; Ito, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 39 ( 17 ) 3457 - 3464 2006年09月14日

ISSN: 0953-4075

DOI
Novel 3D coordination palladium-network complex: A recyclable catalyst for Suzuki-Miyaura reaction

Yamada, YMA; Maeda, Y; Uozumi, Y

ORGANIC LETTERS 8 ( 19 ) 4259 - 4262 2006年09月14日

ISSN: 1523-7060

DOI
Photodissociation of Mg+-XCH3 (X=F, Cl, Br, and I) complexes.: I.: Electronic spectra and dissociation pathways

Furuya, A; Misaizu, F; Ohno, K

JOURNAL OF CHEMICAL PHYSICS 125 ( 9 ) 2006年09月07日

ISSN: 0021-9606

DOI
Photodissociation of Mg+-XCH3 (X=F, Cl, Br, and I) complexes.: II.: Fragment angular and energy distributions

Furuya, A; Misaizu, F; Ohno, K

JOURNAL OF CHEMICAL PHYSICS 125 ( 9 ) 2006年09月07日

ISSN: 0021-9606

DOI
Preparation of single-walled carbon nanotube-organosilicon hybrids and their enhanced field emission properties

Maeda, Y; Sato, Y; Kako, M; Wakahara, T; Akasaka, T; Lu, J; Nagase, S; Kobori, Y; Hasegawa, T; Moto … 全著者表示

CHEMISTRY OF MATERIALS 18 ( 18 ) 4205 - 4208 2006年09月05日

ISSN: 0897-4756

DOI
Experimental determination of the nN → σ* P-O interaction energy of O-equatorial C-apical phosphoranes bearing a primary amino group

Adachi, T; Matsukawa, S; Nakamoto, M; Kajiyama, K; Kojima, S; Yamamoto, Y; Akiba, K; Re, S; Nagase, … 全著者表示

INORGANIC CHEMISTRY 45 ( 18 ) 7269 - 7277 2006年09月04日

ISSN: 0020-1669

DOI
Ferromagnetic spin ordering on carbon nanotubes with topological line defects

Okada, S; Nakada, K; Kuwabara, K; Daigoku, K; Kawai, T

PHYSICAL REVIEW B 74 ( 12 ) 2006年09月

ISSN: 1098-0121

DOI
Infrared and terahertz spectromicroscopy beam line BL6B(IR) at UVSOR-II

Kimura, S; Nakamura, E; Nishi, T; Sakurai, Y; Hayashi, K; Yamazaki, J; Katoh, M

INFRARED PHYSICS & TECHNOLOGY 49 ( 1-2 ) 147 - 151 2006年09月

ISSN: 1350-4495

DOI
Interface electronic structure of alkanethiolate-passivated Au nanoparticles studied by photoelectron spectroscopy

Tanaka, A; Imamura, M; Yasuda, H

PHYSICAL REVIEW B 74 ( 11 ) 2006年09月

ISSN: 2469-9950

DOI
Luminescence properties of YAl3(BO3)4 substituted with Sc3+ ions

Yoshida, H; Fujikawa, K; Toyoshima, H; Watanabe, S; Ogasawara, K

PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE 203 ( 11 ) 2701 - 2704 2006年09月

ISSN: 0031-8965

DOI
Mechanism of remote conjugate addition of lithium organocuprates to polyconjugated carbonyl compounds

Yoshikai, N; Yamashita, T; Nakamura, E

CHEMISTRY-AN ASIAN JOURNAL 1 ( 3 ) 322 - 330 2006年09月

ISSN: 1861-4728

DOI
On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes

Nakashima, H; Hasegawa, JY; Nakatsuji, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 27 ( 12 ) 1363 - 1372 2006年09月

ISSN: 0192-8651

DOI
Role of structural relaxations and vibrational excitations in the high-frequency dynamics of liquids and glasses

Chong, SH

PHYSICAL REVIEW E 74 ( 3 ) 2006年09月

ISSN: 1539-3755

DOI
Synthesis and properties of higher homologs of extended TTP donors

Misaki, Y; Kubo, A; Matsuda, W; Fueno, H; Tanaka, K

CURRENT APPLIED PHYSICS 6 ( 5 ) 934 - 938 2006年09月

ISSN: 1567-1739

DOI
Transition states of binap-rhodium(I)-catalyzed asymmetric hydrogenation: Theoretical studies on the origin of the enantioselectivity

Mori, S; Vreven, T; Morokuma, K

CHEMISTRY-AN ASIAN JOURNAL 1 ( 3 ) 391 - 403 2006年09月

ISSN: 1861-4728

DOI
Aminohydroxyphosphine ligand for the copper-catalyzed enantioselective conjugate addition of organozinc reagents

Hajra, A; Yoshikai, N; Nakamura, E

ORGANIC LETTERS 8 ( 18 ) 4153 - 4155 2006年08月31日

ISSN: 1523-7060

DOI
Fifth-order two-dimensional Raman spectroscopy of liquid water, crystalline ice lh and amorphous ices: Sensitivity to anharmonic dynamics and local hydrogen bond network structure

Saito, S; Ohmine, I

JOURNAL OF CHEMICAL PHYSICS 125 ( 8 ) 2006年08月28日

ISSN: 0021-9606

DOI
Vibronic structure in the S1-S0 transition of jet-cooled dibenzofuran

Baba, M; Mori, K; Yamawaki, M; Akita, K; Ito, M; Kasahara, S; Yamanaka, T

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 33 ) 10000 - 10005 2006年08月24日

ISSN: 1089-5639

DOI
13C and 15N NMR studies of iron-bound cyanides of heme proteins and related model complexes:: Sensitive probe for detecting hydrogen-bonding interactions at the proximal and distal sides

Fujii, H; Yoshida, T

INORGANIC CHEMISTRY 45 ( 17 ) 6816 - 6827 2006年08月21日

ISSN: 0020-1669

DOI
A tantalum(V) carbene complex: Formation of a carbene-bis(phenoxide) ligand by sequential proton and hydride abstraction

Watanabe, T; Matsuo, T; Kawaguchi, H

INORGANIC CHEMISTRY 45 ( 17 ) 6580 - 6582 2006年08月21日

ISSN: 0020-1669

DOI
Extended treatment of charge response kernel comprising the density functional theory and charge regulation procedures

Ishida, T; Morita, A

JOURNAL OF CHEMICAL PHYSICS 125 ( 7 ) 2006年08月21日

ISSN: 0021-9606

DOI
Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character

Nakano, M; Kishi, R; Ohta, S; Takebe, A; Takahashi, H; Furukawa, S; Kubo, T; Morita, Y; Nakasuji, K … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 125 ( 7 ) 2006年08月21日

ISSN: 0021-9606

DOI
H-bond patterns and structure distributions of water octamer (H2O)8 at finite temperatures

Miyake, T; Aida, M

CHEMICAL PHYSICS LETTERS 427 ( 1-3 ) 215 - 220 2006年08月18日

ISSN: 0009-2614

DOI
Infrared photodissociation spectra and solvation structures of Cu+(H2O)n (n=1-4)

Iino, T; Ohashi, K; Mune, Y; Inokuchi, Y; Judai, K; Nishi, N; Sekiya, H

CHEMICAL PHYSICS LETTERS 427 ( 1-3 ) 24 - 28 2006年08月18日

ISSN: 0009-2614

DOI
Conformational equilibrium of 1,2-dichloroethane in water: Comparison of PCM and RISM-SCF methods

Lee, JY; Yoshida, N; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 32 ) 16018 - 16025 2006年08月17日

ISSN: 1520-6106

DOI
Effect of pressure on the vibrational structure of insensitive energetic material 5-nitro-2,4-dihydro-1,2,4-triazole-3-one

Hiyoshi, RI; Kohno, Y; Takahashi, O; Nakamura, J; Yamaguchi, Y; Matsumoto, S; Azuma, N; Ueda, K

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 32 ) 9816 - 9827 2006年08月17日

ISSN: 1089-5639

DOI
π-Allylic azidation in water with an amphiphilic resin-supported palladium-phosphine complex

Uozumi, Y; Suzuka, T; Kawade, R; Takenaka, H

SYNLETT ( 13 ) 2109 - 2113 2006年08月17日

ISSN: 0936-5214

DOI
Excited electronic states and relative stabilities of C80

Slanina, Z; Lee, SL; Uhlík, F; Adamowicz, L; Nagase, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 106 ( 10 ) 2222 - 2228 2006年08月15日

ISSN: 0020-7608

DOI
Infrared study on electronic structure of SrT4Sb12 (T = Fe, Ru)

Kimura, S; Im, HJ; Sakurai, Y; Mizuno, T; Takegahara, K; Harima, H; Hayashi, K; Matsuoka, E; Takaba … 全著者表示

PHYSICA B-CONDENSED MATTER 383 ( 1 ) 137 - 139 2006年08月15日

ISSN: 0921-4526

DOI
Optical study on clathrates Sr8Ga16Ge30 and β-Eu8Ga16Ge30

Sakurai, Y; Nishi, T; Kimura, S; Kwon, YS; Avila, MA; Takabatake, T

PHYSICA B-CONDENSED MATTER 383 ( 1 ) 122 - 123 2006年08月15日

ISSN: 0921-4526

DOI
Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: Core-valence-Rydberg B3LYP

Nakata, A; Imamura, Y; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 125 ( 6 ) 2006年08月14日

ISSN: 0021-9606

DOI
Theoretical study of rhenium dinuclear complexes: Re-Re bonding nature and electronic structure

Saito, K; Nakao, Y; Sato, H; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 31 ) 9710 - 9717 2006年08月10日

ISSN: 1089-5639

DOI
Nanoscale spherical architectures fabricated by metal coordination of multiple dipyrrin moieties

Maeda, H; Hasegawa, M; Hashimoto, T; Kakimoto, T; Nishio, S; Nakanishi, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 31 ) 10024 - 10025 2006年08月09日

ISSN: 0002-7863

DOI
Synthesis, structure and magnetic properties of a new low-spin iron(III) complex [FeL3] {L=[HNC(CH3)]2C(CN)}

Nishijo, J; Nishi, N

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 15 ) 3022 - 3027 2006年08月07日

ISSN: 1434-1948

DOI
Population of 6-enol form is higher in 8-oxoguanine than in guanine

Yoshida, T; Aida, M

CHEMISTRY LETTERS 35 ( 8 ) 924 - 925 2006年08月05日

ISSN: 0366-7022

DOI
Synthesis and characterization of dimetallostannafluorenes

Saito, M; Shimosawa, M; Yoshioka, M; Ishimura, K; Nagase, S

CHEMISTRY LETTERS 35 ( 8 ) 940 - 941 2006年08月05日

ISSN: 0366-7022

DOI
Experimental investigation of core-valence double photoionization

Hikosaka, Y; Aoto, T; Lablanquie, P; Penent, F; Shigemasa, E; Ito, K

PHYSICAL REVIEW LETTERS 97 ( 5 ) 2006年08月04日

ISSN: 0031-9007

DOI
Theoretical studies on the electrocyclic reactions of bis(allene) and vinylallene. Role of allene group

Sakai, S

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 30 ) 9443 - 9450 2006年08月03日

ISSN: 1089-5639

DOI
Time-domain calculations of the polarized Raman spectra, the transient infrared absorption anisotropy, and the extent of delocalization of the OH stretching mode of liquid water

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 30 ) 9469 - 9477 2006年08月03日

ISSN: 1089-5639

DOI
Characterization of the bis-silylated endofullerene Sc3N@C80

Wakahara, T; Iiduka, Y; Ikenaga, O; Nakahodo, T; Sakuraba, A; Tsuchiya, T; Maeda, Y; Kako, M; Akasa … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 30 ) 9919 - 9925 2006年08月02日

ISSN: 0002-7863

DOI
Recent progress in coincidence studies on ion desorption induced by core excitation

Kobayashi, E; Mase, K; Nambu, A; Seo, J; Tanaka, S; Kakiuchi, T; Okudaira, KK; Nagaoka, S; Tanaka, M

JOURNAL OF PHYSICS-CONDENSED MATTER 18 ( 30 ) S1389 - S1408 2006年08月02日

ISSN: 0953-8984

DOI
Effect of mutation on the dissociation and recombination dynamics of CO in transcriptional regulator CooA: A picosecond infrared transient absorption study

Zhang, TQ; Rubtsov, IV; Nakajima, H; Aono, S; Yoshihara, K

BIOCHEMISTRY 45 ( 30 ) 9246 - 9253 2006年08月01日

ISSN: 0006-2960

DOI
Faraday ellipticity and Faraday rotation of a doped-silicon wafer studied by terahertz time-domain spectroscopy

Morikawa, O; Quema, A; Nashima, S; Sumikura, H; Nagashima, T; Hangyo, M

JOURNAL OF APPLIED PHYSICS 100 ( 3 ) 2006年08月01日

ISSN: 0021-8979

DOI
Atomic geometry and stability of mono-, Di-, and trivacancies in graphene

Yamashita, K; Saito, M; Oda, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 45 ( 8A ) 6534 - 6536 2006年08月

ISSN: 0021-4922

DOI
Combinatorial approach to heterogeneous asymmetric aquacatalysis with amphiphilic polymer-supported chiral phosphine-palladium complexes

Kobayashi, Y; Tanaka, D; Danjo, H; Uozumi, Y

ADVANCED SYNTHESIS & CATALYSIS 348 ( 12-13 ) 1561 - 1566 2006年08月

ISSN: 1615-4150

DOI
Observation of Si emission during thermal oxidation of Si(001) with high-resolution RBS

Hosoi, S; Nakajima, K; Suzuki, M; Kimura, K; Shimizu, Y; Fukatsu, S; Itoh, KM; Uematsu, M; Kageshim … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 249 390 - 393 2006年08月

ISSN: 0168-583X

DOI
Second-harmonic generations of blue light in nonlinear optical crystals of Gd1-xLuxCa4O(BO3)3 and Gd1-xScxCa4O(BO3)3 through noncritical phase matching

Gheorghe, L; Lupei, V; Loiseau, P; Aka, G; Taira, T

JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS 23 ( 8 ) 1630 - 1634 2006年08月

ISSN: 0740-3224

DOI
Bimetallic synergism in alkyne silylformylation catalyzed by a cobalt-rhodium mixed-metal cluster

Yoshikai, N; Yamanaka, M; Ojima, I; Morokuma, K; Nakamura, E

ORGANOMETALLICS 25 ( 16 ) 3867 - 3875 2006年07月31日

ISSN: 0276-7333

DOI
Mechanistic study on the oxidation of anthocyanidin synthase by quantum mechanical calculation

Nakajima, J; Sato, Y; Hoshino, T; Yamazaki, M; Saito, K

JOURNAL OF BIOLOGICAL CHEMISTRY 281 ( 30 ) 21387 - 21398 2006年07月28日

DOI
Structural and electronic properties of fluorinated boron nitride nanotubes

Lai, L; Song, W; Lu, J; Gao, ZX; Nagase, S; Ni, M; Mei, WN; Liu, JJ; Yu, DP; Ye, HQ

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 29 ) 14092 - 14097 2006年07月27日

ISSN: 1520-6106

DOI
A molecular dynamics study of surface structure of spherical SDS micelles

Yoshii, N; Okazaki, S

CHEMICAL PHYSICS LETTERS 426 ( 1-3 ) 66 - 70 2006年07月26日

ISSN: 0009-2614

DOI
Color-sensitive photoconductivity of nanostructured ZnO/dye hybrid films prepared by one-step electrodeposition

Oekermann, T; Yoshida, T; Tada, H; Minoura, H

THIN SOLID FILMS 511 354 - 357 2006年07月26日

ISSN: 0040-6090

DOI
Electrical conductivity modulation coupled to a high-spin-low-spin conversion in the molecular system [FeIII(qsal)2][Ni(dmit)2]3•CH3CN•H2O

Takahashi, K; Cui, HB; Okano, Y; Kobayashi, H; Einaga, Y; Sato, O

INORGANIC CHEMISTRY 45 ( 15 ) 5739 - 5741 2006年07月24日

ISSN: 0020-1669

DOI
Laser control of reactions of photoswitching functional molecules

Tamura, H; Nanbu, S; Ishida, T; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 125 ( 3 ) 2006年07月21日

ISSN: 0021-9606

DOI
Skeletal relaxation effect on the charge transfer state formation of 4-dimethylamino,4′-cyanostilbene

Amatatsu, Y

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 28 ) 8736 - 8743 2006年07月20日

ISSN: 1089-5639

DOI
The bingel monoadducts of La@C82:: Synthesis, characterization, and electrochemistry

Feng, L; Wakahara, T; Nakahodo, T; Tsuchiya, T; Piao, Q; Maeda, Y; Lian, Y; Akasaka, T; Horn, E; Yo … 全著者表示

CHEMISTRY-A EUROPEAN JOURNAL 12 ( 21 ) 5578 - 5586 2006年07月17日

ISSN: 0947-6539

DOI
A theoretical analysis on hydration thermodynamics of proteins

Imai, T; Harano, Y; Kinoshita, M; Kovalenko, A; Hirata, F

JOURNAL OF CHEMICAL PHYSICS 125 ( 2 ) 2006年07月14日

ISSN: 0021-9606

DOI
Definability of no-return transition states in the high-energy regime above the reaction threshold

Li, CB; Shoujiguchi, A; Toda, M; Komatsuzaki, T

PHYSICAL REVIEW LETTERS 97 ( 2 ) 2006年07月14日

ISSN: 0031-9007

DOI
Specific hydrogen-bonding networks responsible for selective O2 sensing of the oxygen sensor protein HemAT from Bacillus subtilis

Yoshimura, H; Yoshioka, S; Kobayashi, K; Ohta, T; Uchida, T; Kubo, M; Kitagawa, T; Aono, S

BIOCHEMISTRY 45 ( 27 ) 8301 - 8307 2006年07月11日

ISSN: 0006-2960

DOI
Theoretical study on the structure and the frequency of isomers of the naphthalene dimer

Saeki, M; Akagi, H; Fujii, M

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 2 ( 4 ) 1176 - 1183 2006年07月11日

ISSN: 1549-9618

DOI
Electronic circular dichroism spectrum of uridine studied by the SAC-CI method

Bureekaew, S; Hasegawa, JY; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 425 ( 4-6 ) 367 - 371 2006年07月10日

ISSN: 0009-2614

DOI
Phase change observation in reflection multilayers by total electron yield and reflection spectra

Ejima, T; Harada, T; Yamazaki, A

APPLIED PHYSICS LETTERS 89 ( 2 ) 2006年07月10日

ISSN: 0003-6951

DOI
Examination of (e,2e) scattering models by comparison of momentum profiles of noble gases between experiment and theory

Miyake, Y; Takahashi, M; Watanabe, N; Khajuria, Y; Udagawa, Y; Sakai, Y; Mukoyama, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 8 ( 25 ) 3022 - 3028 2006年07月07日

ISSN: 1463-9076

DOI
Anisotropy of the S2-state manganese cluster in single crystals of cyanobacterial photosystem II studied by W-band electron paramagnetic resonance spectroscopy

Matsuoka, H; Furukawa, K; Kato, T; Mino, H; Shen, JR; Kawamori, A

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 26 ) 13242 - 13247 2006年07月06日

ISSN: 1520-6106

DOI
Semiclassical treatment of thermally activated electron transfer in the intermediate to strong electronic coupling regime under the fast dielectric relaxation

Zhao, Y; Liang, WZ; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 26 ) 8204 - 8212 2006年07月06日

ISSN: 1089-5639

DOI
Vacuum ultraviolet spectroscopy of Ce3+-doped SrMgF4 with superlattice structure

Yamaga, M; Hayashi, E; Kodama, N; Itoh, K; Yabashi, S; Masui, Y; Ono, S; Sarukura, N; Han, TPJ; Gal … 全著者表示

JOURNAL OF PHYSICS-CONDENSED MATTER 18 ( 26 ) 6033 - 6044 2006年07月05日

ISSN: 0953-8984

DOI
A molecular dynamics study of structural stability of spherical SDS micelle as a function of its size

Yoshii, N; Okazaki, S

CHEMICAL PHYSICS LETTERS 425 ( 1-3 ) 58 - 61 2006年07月03日

ISSN: 0009-2614

DOI
Syntheses, structures, and reactions of heptacoordinate trihalogermanes bearing a triarylmethyl-type tetradentate ligand

Iwanaga, K; Kobayashi, J; Kawashima, T; Takagi, N; Nagase, S

ORGANOMETALLICS 25 ( 14 ) 3388 - 3393 2006年07月03日

ISSN: 0276-7333

DOI
300 W continuous-wave operation of a diode edge-pumped, hybrid composite Yb:YAG microchip laser

Tsunekane, M; Taira, T

OPTICS LETTERS 31 ( 13 ) 2003 - 2005 2006年07月01日

ISSN: 0146-9592

DOI
High-resolution inner-shell excitation spectroscopy of H2-phthalocyanine

Kera, S; Casu, MB; Schöll, A; Schmidt, T; Batchelor, D; Rühl, E; Umbach, E

JOURNAL OF CHEMICAL PHYSICS 125 ( 1 ) 2006年07月01日

ISSN: 0021-9606

DOI
Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra

Saha, B; Ehara, M; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 125 ( 1 ) 2006年07月01日

ISSN: 0021-9606

DOI
Cathodoluminescence study of anodic nanochannel alumina

Guo, QX; Hachiya, Y; Tanaka, T; Nishio, M; Ogawa, H

JOURNAL OF LUMINESCENCE 119 253 - 257 2006年07月

ISSN: 0022-2313

DOI
Comparative study of optical spectra and electronic structures of CaMoO4 and CaWO4 crystals

Fujita, M; Itoh, M; Takagi, S; Shimizu, T; Fujita, N

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 243 ( 8 ) 1898 - 1907 2006年07月

ISSN: 0370-1972

DOI
Infrared and Raman studies of the charge-ordering phase transition at ∼170 K in the quarter-filled organic conductor, β"-(ET)(TCNQ)

Uruichi, M; Yakushi, K; Yamamoto, HM; Kato, R

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 7 ) 2006年07月

ISSN: 0031-9015

DOI
Laser-induced infrared absorption in lead tungstate observed by laser-SR combined spectroscopy

Itoh, M; Azuma, J; Shimizu, T; Kamada, M; Kobayashi, M; Usuki, Y

JOURNAL OF LUMINESCENCE 119 590 - 594 2006年07月

ISSN: 0022-2313

DOI
Ligand binding properties of two kinds of reconstituted myoglobins with iron porphycene having propionates:: Effect of β-pyrrolic position of two propionate side chains in porphycene framework

Matsuo, T; Ikegami, T; Sato, H; Hisaeda, Y; Hayashi, T

JOURNAL OF INORGANIC BIOCHEMISTRY 100 ( 7 ) 1265 - 1271 2006年07月

ISSN: 0162-0134

DOI
Reduction of Pt usage in fuel cell electrocatalysts using carbon nanotubes and non-Pt metals

Yoo, E; Nagashima, Y; Yamazaki, T; Matsumoto, T; Nakamura, J

POLYMERS FOR ADVANCED TECHNOLOGIES 17 ( 7-8 ) 540 - 543 2006年07月

ISSN: 1042-7147

DOI
Spin reorientation transitions of Fe/Ni/Cu(001) studied by using the depth-resolved X-ray magnetic circular dichroism technique

Abe, H; Amemiya, K; Matsumura, D; Kitagawa, S; Watanabe, H; Yokoyama, T; Ohta, T

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 302 ( 1 ) 86 - 95 2006年07月

ISSN: 0304-8853

DOI
Stacking sequence preference of pristine and hydrogen-terminated Si nanowires on Si(111) substrates

Akiyama, T; Nakamura, K; Ito, T

PHYSICAL REVIEW B 74 ( 3 ) 2006年07月

ISSN: 1098-0121

DOI
Surface and bulk electronic structures of Heusler-type Fe2VAl

Miyazaki, H; Soda, K; Yagi, S; Kato, M; Takeuchi, T; Mizutani, U; Nishino, Y

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 24 ( 4 ) 1464 - 1467 2006年07月

ISSN: 0734-2101

DOI
Time-resolved coherent anti-Stokes Raman scattering of cyclohexane under shock compression

Oguchi, S; Matsuda, A; Kondo, K; Nakamura, KG

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 45 ( 7 ) 5817 - 5820 2006年07月

ISSN: 0021-4922

DOI
Vacuum ultraviolet and ultraviolet spectroscopy of BaMgF4 codoped with Ce3+ and Na+

Hayashi, E; Ito, K; Yabashi, S; Yamaga, M; Kodama, N; Ono, S; Sarukura, N

JOURNAL OF LUMINESCENCE 119 69 - 74 2006年07月

ISSN: 0022-2313

DOI
Wavelet analysis and Arnold web picture for detecting energy transfer in a Hamiltonian dynamical system

Shojiguchi, A; Baba, A; Li, CB; Komatsuzaki, T; Toda, M

LASER PHYSICS 16 ( 7 ) 1097 - 1106 2006年07月

ISSN: 1054-660X

DOI
Kinetic stabilization of growing gold clusters by passivation with thiolates

Negishi, Y; Takasugi, Y; Sato, S; Yao, H; Kimura, K; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 25 ) 12218 - 12221 2006年06月29日

ISSN: 1520-6106

DOI
Recognition and discrimination of gases by the oxygen-sensing signal transducer protein HemAT as revealed by FTIR spectroscopy

Pinakoulaki, E; Yoshimura, H; Yoshioka, S; Aono, S; Varotsis, C

BIOCHEMISTRY 45 ( 25 ) 7763 - 7766 2006年06月27日

ISSN: 0006-2960

DOI
Amphezonol A, a novel polyhydroxyl metabolite from marine dinoflagellate Amphidinium sp.

Kubota, T; Sakuma, Y; Shimbo, K; Tsuda, M; Nakano, M; Uozumi, Y; Kobayashi, J

TETRAHEDRON LETTERS 47 ( 26 ) 4369 - 4371 2006年06月26日

ISSN: 0040-4039

DOI
2,3-Disubstituted benzofuran and indole by copper-mediated C-C bond extension reaction of 3-zinciobenzoheterole

Nakamura, M; Ilies, L; Otsubo, S; Nakamura, E

ORGANIC LETTERS 8 ( 13 ) 2803 - 2805 2006年06月22日

ISSN: 1523-7060

DOI
Chiroptical activity of BINAP-stabilized undecagold clusters

Yanagimoto, Y; Negishi, Y; Fujihara, H; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 24 ) 11611 - 11614 2006年06月22日

ISSN: 1520-6106

DOI
Computational simulations of HIV-1 proteases-multi-drug resistance due to nonactive site mutation L90M

Ode, H; Neya, S; Hata, M; Sugiura, W; Hoshino, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 24 ) 7887 - 7895 2006年06月21日

ISSN: 0002-7863

DOI
Inner-valence states of N+2 and the dissociation dynamics studied by threshold photoelectron spectroscopy and configuration interaction calculation

Aoto, T; Ito, K; Hikosaka, Y; Shibasaki, A; Hirayama, R; Yamamono, N; Miyoshi, E

JOURNAL OF CHEMICAL PHYSICS 124 ( 23 ) 2006年06月21日

ISSN: 0021-9606

DOI
Magnetic circular dichroism near the Fermi level

Nakagawa, T; Yokoyama, T

PHYSICAL REVIEW LETTERS 96 ( 23 ) 2006年06月16日

ISSN: 0031-9007

DOI
Theoretical transition probabilities for the (A)over-tilde1Π-(X)over-tilde1Σ+ system of AlNC and AlCN isomers based on global potential energy surfaces

Tokue, I; Nanbu, S

JOURNAL OF CHEMICAL PHYSICS 124 ( 22 ) 2006年06月14日

ISSN: 0021-9606

DOI
Natural atomic orbital based energy density analysis: Implementation and applications

Baba, T; Takeuchi, M; Nakai, H

CHEMICAL PHYSICS LETTERS 424 ( 1-3 ) 193 - 198 2006年06月12日

ISSN: 0009-2614

DOI
Theoretical study of water-induced oxidation reaction on a bare Si surface:: H2O+Si(100)-(2 x 1)

Watanabe, H; Nanbu, S; Wang, ZH; Aoyagi, M

CHEMICAL PHYSICS LETTERS 424 ( 1-3 ) 133 - 138 2006年06月12日

ISSN: 0009-2614

DOI
Charge carrier transport in high purity perylene single crystal studied by time-of-flight measurements and through field effect transistor characteristics

Kotani, M; Kakinuma, K; Yoshimura, M; Ishii, K; Yamazaki, S; Kobori, T; Okuyama, H; Kobayashi, H; T … 全著者表示

CHEMICAL PHYSICS 325 ( 1 ) 160 - 169 2006年06月09日

ISSN: 0301-0104

DOI
Porphyrin molecular nanodevices wired using single-walled carbon nanotubes

Tanaka, H; Yajima, T; Matsumoto, T; Otsuka, Y; Ogawa, T

ADVANCED MATERIALS 18 ( 11 ) 1411 - + 2006年06月06日

ISSN: 0935-9648

DOI
A first-principles study of O2 incorporation and its diffusion in compressively strained high-density silicon oxides

Akiyama, T; Kawamoto, K; Kageshima, H; Uematsu, M; Nakamura, K; Ito, T

THIN SOLID FILMS 508 ( 1-2 ) 311 - 314 2006年06月05日

ISSN: 0040-6090

DOI
A simple approach to polytypes of SiC and its application to nanowires

Ito, T; Sano, K; Akiyama, T; Nakamura, K

THIN SOLID FILMS 508 ( 1-2 ) 243 - 246 2006年06月05日

ISSN: 0040-6090

DOI
Electronic transport properties of thin, channel regions from SOI through GOI: A first-principles study

Yamauchi, J

THIN SOLID FILMS 508 ( 1-2 ) 342 - 345 2006年06月05日

ISSN: 0040-6090

DOI
Enhanced Si and B diffusion in semiconductor-grade SiO2 and the effect of strain on diffusion

Uematsu, M; Kageshima, H; Fukatsu, S; Itoh, KM; Shiraishl, K; Otani, M; Oshiyama, A

THIN SOLID FILMS 508 ( 1-2 ) 270 - 275 2006年06月05日

ISSN: 0040-6090

DOI
Oxygen-vacancy-induced threshold voltage shifts in Hf-related high-k gate stacks

Shiraishi, K; Yamada, K; Torii, K; Akasaka, Y; Nakajima, K; Konno, M; Chikyow, T; Kitajima, H; Afik … 全著者表示

THIN SOLID FILMS 508 ( 1-2 ) 305 - 310 2006年06月05日

ISSN: 0040-6090

DOI
Compensation of effective field in the field-induced superconductor κ-(BETS)2FeBr4 observed by 77Se NMR

Fujiyama, S; Takigawa, M; Kikuchi, J; Cui, HB; Fujiwara, H; Kobayashi, H

PHYSICAL REVIEW LETTERS 96 ( 21 ) 2006年06月02日

ISSN: 0031-9007

DOI
Anisotropic fragment emission on valence photoionization of CF4

Hikosaka, Y; Shigemasa, E

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 152 ( 1-2 ) 29 - 32 2006年06月

ISSN: 0368-2048

DOI
Dynamical hierarchy in transition states of reactions

Li, CB; Shojiguchi, A; Toda, M; Komatsuzaki, T

FEW-BODY SYSTEMS 38 ( 2-4 ) 173 - 179 2006年06月

ISSN: 0177-7963

DOI
Electronic properties of a single-walled carbon nanotube/150mer-porphyrin system measured by point-contact current imaging atomic force microscopy

Tanaka, H; Yajima, T; Kawao, M; Ogawa, T

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 6 ( 6 ) 1644 - 1648 2006年06月

ISSN: 1533-4880

DOI
Energy density analysis of cluster size dependence of surface-molecule interactions (II): Formate adsorption onto a Cu(111) surface

Nakai, H; Kikuchi, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 27 ( 8 ) 917 - 925 2006年06月

ISSN: 0192-8651

DOI
Field- and angular-dependent resistance of λ-(BETS)2FeCl4 under pressure

Jo, YJ; Kang, H; Kang, W; Uji, S; Terashima, T; Tanaka, T; Tokumoto, M; Kobayashi, A; Kobayashi, H

PHYSICAL REVIEW B 73 ( 21 ) 2006年06月

ISSN: 1098-0121

DOI
Iron-based heavy quasiparticles in SrFe4Sb12:: An infrared spectroscopic study

Kimura, S; Mizuno, T; Im, H; Hayashi, K; Matsuoka, E; Takabatake, T

PHYSICAL REVIEW B 73 ( 21 ) 2006年06月

ISSN: 1098-0121

DOI
Monte Carlo wavefunction approach to the dissipative quantum-phase dynamics of two-component Bose-Einstein condensates

Nakano, M; Ohta, S; Kishi, R; Takahashi, H; Furukawa, S

EUROPEAN PHYSICAL JOURNAL D 38 ( 3 ) 523 - 532 2006年06月

ISSN: 1434-6060

DOI
On the ionization energy of CF3SF5 in the valence region measured by angle-resolved photoelectron spectroscopy

Ibuki, T; Tamenori, Y; Okada, K; Takemoto, M; Nagaoka, S; Morishita, Y; Suzuki, IH

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 152 ( 1-2 ) 96 - 99 2006年06月

ISSN: 0368-2048

DOI
Structural stability and electronic structures of InP nanowires: Role of surface dangling bonds on nanowire facets

Akiyama, T; Nakamura, K; Ito, T

PHYSICAL REVIEW B 73 ( 23 ) 2006年06月

ISSN: 2469-9950

DOI
Synthesis, crystal structure and magnetic property of a two-dimensional herringbone-like network with praseodymiu(III) nitrate and 1-bromo-3,5-bis(imidazol-1-ylmethyl)benzene (bib)

Meng, WL; Zhang, ZH; Lv, Y; Kawaguchi, H; Sun, WY

APPLIED ORGANOMETALLIC CHEMISTRY 20 ( 6 ) 399 - 403 2006年06月

ISSN: 0268-2605

DOI
Atomic hydrogen transmission through five-membered carbon ring by the mechanism of non-adiabatic tunneling

Nanbu, S; Ishida, T; Nakamura, H

CHEMICAL PHYSICS 324 ( 2-3 ) 721 - 732 2006年05月31日

ISSN: 0301-0104

DOI
Fabrication of nanoscale gaps using a combination of self-assembled molecular and electron beam lithographic techniques

Negishi, R; Hasegawa, T; Terabe, K; Aono, M; Ebihara, T; Tanaka, H; Ogawa, T

APPLIED PHYSICS LETTERS 88 ( 22 ) 2006年05月29日

ISSN: 0003-6951

DOI
Host-guest complexation of endohedral metallofullerene with azacrown ether and its application

Tsuchiya, T; Sato, K; Kurihara, H; Wakahara, T; Nakahodo, T; Maeda, Y; Akasaka, T; Ohkubo, K; Fukuz … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 20 ) 6699 - 6703 2006年05月24日

ISSN: 0002-7863

DOI
Possibility of field-induced incommensurate order in a quasi-one-dimensional frustrated spin system

Maeshima, N; Okunishi, K; Okamoto, K; Sakai, T; Yonemitsu, K

JOURNAL OF PHYSICS-CONDENSED MATTER 18 ( 20 ) 4819 - 4826 2006年05月24日

ISSN: 0953-8984

DOI
Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory: Application of Moller-Plesset perturbation theory

Hoshino, M; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 124 ( 19 ) 2006年05月21日

ISSN: 0021-9606

DOI
Theoretical study on the aromaticity of transition states in pericyclic reactions

Sakai, S

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 19 ) 6339 - 6344 2006年05月18日

ISSN: 1089-5639

DOI
A glass hook allows fishing of hexa-peri-hexahenzocoronene graphitic nanotubes:: fabrication of a macroscopic fiber with anisotropic electrical conduction

Yamamoto, Y; Fukushima, T; Jin, WS; Kosaka, A; Hara, T; Nakamura, T; Saeki, A; Seki, S; Tagawa, S; … 全著者表示

ADVANCED MATERIALS 18 ( 10 ) 1297 - 1300 2006年05月15日

ISSN: 0935-9648

DOI
Reciprocity in scanning near-field optical microscopy: illumination and collection modes of transmission measurements

Imura, K; Okamoto, H

OPTICS LETTERS 31 ( 10 ) 1474 - 1476 2006年05月15日

ISSN: 0146-9592

DOI
Redox behavior and catalytic oxidation reactions of alcohols by a new ruthenium(III)-dioxolene-amine complex of bis(2-pyridylmethyl)-2-aminoethylamine

Miyazato, Y; Wada, T; Tanaka, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 79 ( 5 ) 745 - 747 2006年05月15日

ISSN: 0009-2673

DOI
Synthesis of end-functionalized π-conjugated porphyrin oligomers

Ozawa, H; Kawao, M; Tanaka, H; Ogawa, T

TETRAHEDRON 62 ( 20 ) 4749 - 4755 2006年05月15日

ISSN: 0040-4020

DOI
A molecular dynamics study of free energy of micelle formation for sodium dodecyl sulfate in water and its size distribution

Yoshii, N; Iwahashi, K; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 124 ( 18 ) 2006年05月14日

ISSN: 0021-9606

DOI
Chromatographic isolation of "missing" Au55 clusters protected by alkanethiolates

Tsunoyama, H; Negishi, Y; Tsukuda, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 18 ) 6036 - 6037 2006年05月10日

ISSN: 0002-7863

DOI
Synthesis and characterization of a bisadduct of La@C82

Feng, L; Tsuchiya, T; Wakahara, T; Nakahodo, T; Piao, Q; Maeda, Y; Akasaka, T; Kato, T; Yoza, K; Ho … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 18 ) 5990 - 5991 2006年05月10日

ISSN: 0002-7863

DOI
Angle-resolved photoemission study on CeTe2

Ito, T; Im, HJ; Kimura, S; Kwon, YS

PHYSICA B-CONDENSED MATTER 378-80 767 - 768 2006年05月01日

ISSN: 0921-4526

DOI
High-resolution photoemission spectroscopy of CeNiGe2 and CeCoGe2

Im, HJ; Ito, T; Kimura, S; Hong, JB; Kwon, YS

PHYSICA B-CONDENSED MATTER 378-80 825 - 826 2006年05月01日

ISSN: 0921-4526

DOI
Infrared absorption in heavy fermion system CeNi1-xCoxGe2

Kwon, YS; Hong, JB; Im, HJ; Nishi, T; Kimura, S

PHYSICA B-CONDENSED MATTER 378-80 823 - 824 2006年05月01日

ISSN: 0921-4526

DOI
Mechanisms of several photoluminescence bands in hafnium and zirconium silicates induced by ultraviolet photons

Ito, T; Kato, H; Ohki, Y

JOURNAL OF APPLIED PHYSICS 99 ( 9 ) 2006年05月01日

ISSN: 0021-8979

DOI
Mid-infrared absorption in strongly correlated Yb compounds

Okamura, H; Watanabe, T; Tsujii, N; Ebihara, T; Nanba, T

PHYSICA B-CONDENSED MATTER 378-80 756 - 757 2006年05月01日

ISSN: 0921-4526

DOI
Orbital ordering and spin-singlet formation in a pyroxene compound NaTiSi2O6

Shirakawa, T; Ohta, Y; Mizokawa, T

PHYSICA B-CONDENSED MATTER 378-80 1056 - 1057 2006年05月01日

ISSN: 0921-4526

DOI
Phase diagram of the excitonic insulator

Hülsen, B; Bronold, FX; Fehske, H; Yonemitsu, K

PHYSICA B-CONDENSED MATTER 378-80 267 - 268 2006年05月01日

ISSN: 0921-4526

DOI
Ring exchange mechanism for triplet superconductivity in a two-chain Hubbard model

Ohta, Y; Nishimoto, S; Shirakawa, T; Yamaguchi, Y

PHYSICA B-CONDENSED MATTER 378-80 439 - 440 2006年05月01日

ISSN: 0921-4526

DOI
Ab initio molecular orbital study of the reactivity of active alkyl groups. VII. Solvent effects on the formation of enolate isomers from 2-butanone with methoxide anion in methanol

Ikeda, H; Yukawa, M; Niiya, T

CHEMICAL & PHARMACEUTICAL BULLETIN 54 ( 5 ) 731 - 734 2006年05月

ISSN: 0009-2363

DOI
A quantum chemical study of the catalysis for cytidine deaminase: Contribution of the extra water molecule

Matsubara, T; Ishikura, M; Aida, M

JOURNAL OF CHEMICAL INFORMATION AND MODELING 46 ( 3 ) 1276 - 1285 2006年05月

ISSN: 1549-9596

DOI
Charge ordering in organic conductors

Takahashi, T; Nogami, Y; Yakushi, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 5 ) 2006年05月

ISSN: 0031-9015

DOI
Crystallization and preliminary X-ray analysis of CooA from Carboxydothermus hydrogenoformans

Komori, H; Satomoto, K; Ueda, Y; Shibata, N; Inagaki, S; Yoshioka, S; Aono, S; Higuchi, Y

ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS 62 471 - 473 2006年05月

DOI
Linear-scaling molecular orbital calculations for the pKa values of ionizable residues in proteins

Ohno, K; Sakurai, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 27 ( 7 ) 906 - 916 2006年05月

ISSN: 0192-8651

DOI
Molecular design and physical properties of single-component molecular metals

Kobayashi, A; Okano, Y; Kobayashi, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 5 ) 2006年05月

ISSN: 0031-9015

DOI
Photoelectron spectroscopy of two-photon ionisation of rare-gas atoms by multiple high order harmonics

Furusawa, K; Okino, T; Shimizu, T; Hasegawa, H; Nabekawa, Y; Yamanouchi, K; Midorikawa, K

APPLIED PHYSICS B-LASERS AND OPTICS 83 ( 2 ) 203 - 211 2006年05月

ISSN: 0946-2171

DOI
Spectroscopic and substrate binding properties of heme-containing aldoxime dehydratases, OxdB and OxdRE

Kobayashi, K; Pal, B; Yoshioka, S; Kato, Y; Asano, Y; Kitagawa, T; Aono, S

JOURNAL OF INORGANIC BIOCHEMISTRY 100 ( 5-6 ) 1069 - 1074 2006年05月

ISSN: 0162-0134

DOI
Surface structure of CO on Co/Pd(111) magnetic thin films and its effect on the spin reorientation transition of the film

Matsumura, D; Amemiya, K; Kitagawa, S; Shimada, T; Abe, H; Ohta, T; Watanabe, H; Yokoyama, T

PHYSICAL REVIEW B 73 ( 17 ) 2006年05月

ISSN: 2469-9950

DOI
Equation of state and structural properties of the Weeks-Chandler-Andersen fluid

Heyes, DM; Okumura, H

JOURNAL OF CHEMICAL PHYSICS 124 ( 16 ) 2006年04月28日

ISSN: 0021-9606

DOI
Solution structure and dynamics of Ufm1, a ubiquitin-fold modifier 1

Sasakawa, H; Sakata, E; Yamaguchi, Y; Komatsu, M; Tatsumi, K; Kominami, E; Tanaka, K; Kato, K

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 343 ( 1 ) 21 - 26 2006年04月28日

ISSN: 0006-291X

DOI
Stability computations for Ba@C74 isomers

Slanina, Z; Nagase, S

CHEMICAL PHYSICS LETTERS 422 ( 1-3 ) 133 - 136 2006年04月28日

ISSN: 0009-2614

DOI
Ab initio theoretical study of temperature and density dependence of molecular and thermodynamic properties of water in the entire fluid region: Autoionization processes

Yoshida, N; Ishizuka, R; Sato, H; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 16 ) 8451 - 8458 2006年04月27日

ISSN: 1520-6106

DOI
HOCl ro-vibrational bound-state calculations for nonzero total angular momentum

Zhang, H; Smith, SC; Nanbu, S; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 16 ) 5468 - 5474 2006年04月27日

ISSN: 1089-5639

DOI
Tunneling splitting of energy levels and rotational constants in the vinyl radical C2H3

Mil'nikov, GV; Ishida, T; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 16 ) 5430 - 5435 2006年04月27日

ISSN: 1089-5639

DOI
Evidence for displacements of the C-helix by CO Ligation and DNA binding to CooA revealed by UV resonance Raman spectroscopy

Kubo, M; Inagaki, S; Yoshioka, S; Uchida, T; Mizutani, Y; Aono, S; Kitagawa, T

JOURNAL OF BIOLOGICAL CHEMISTRY 281 ( 16 ) 11271 - 11278 2006年04月21日

DOI
Vibronic coupling in benzene cation and anion: Vibronic coupling and frontier electron density in Jahn-Teller molecules

Tokunaga, K; Sato, T; Tanaka, K

JOURNAL OF CHEMICAL PHYSICS 124 ( 15 ) 2006年04月21日

ISSN: 0021-9606

DOI
Selective interaction of large or charge-transfer aromatic molecules with metallic single-wall carbon nanotubes: Critical role of the molecular size and orientation

Lu, J; Nagase, S; Zhang, XW; Wang, D; Ni, M; Maeda, Y; Wakahara, T; Nakahodo, T; Tsuchiya, T; Akasa … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 15 ) 5114 - 5118 2006年04月19日

ISSN: 0002-7863

DOI
Hybrid organic-inorganic conductor with a magnetic chain anion:: k-BETS2[FeIII(C2O4)Cl2] [BETS = bis(ethylenedithio)tetraselenafulvalene]

Zhang, B; Wang, ZM; Zhang, Y; Takahashi, K; Okano, Y; Cui, HB; Kobayashi, H; Inoue, K; Kurmoo, M; P … 全著者表示

INORGANIC CHEMISTRY 45 ( 8 ) 3275 - 3280 2006年04月17日

ISSN: 0020-1669

DOI
Spontaneous resolution of Δ and Λ enantiomeric pair of [Ru(phen)(bpy)2](PF6)2 (phen=1,10-phenanthroline, bpy=2,2′-bipyridine) by conglomerate crystallization

Huang, W; Ogawa, T

POLYHEDRON 25 ( 6 ) 1379 - 1385 2006年04月17日

ISSN: 0277-5387

DOI
BDT-TTP-Based π conductors containing divalent magnetic and non-magnetic inorganic anions, [MIICl4]2- (M = Co, Mn, Zn)

Kusamoto, T; Fujiwara, E; Kobayashi, A; Cui, H; Otsuka, T; Okano, Y; Fujiwara, H; Kobayashi, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 79 ( 4 ) 527 - 536 2006年04月15日

ISSN: 0009-2673

DOI
Chemical shifts in ESCA and NMR: The case of bridged trichlorosilyl-trimethylsilyl molecules

Nagaoka, S; Nagashima, U; Ohshita, J

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 79 ( 4 ) 537 - 548 2006年04月15日

ISSN: 0009-2673

DOI
Hybrid-density functional study of magnetism and ligand control in Ni9 complexes

Shoji, M; Koizumi, K; Hamamoto, T; Kitagawa, Y; Yamanaka, S; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 421 ( 4-6 ) 483 - 487 2006年04月15日

ISSN: 0009-2614

DOI
The Raman non-coincidence effect of the 12C=O stretching mode of liquid acetone in chemical and in isotopic mixtures

Musso, M; Giorgini, MG; Torii, H; Dorka, R; Schiel, D; Asenbaum, A; Keutel, D; Oehme, KL

JOURNAL OF MOLECULAR LIQUIDS 125 ( 2-3 ) 115 - 122 2006年04月15日

ISSN: 0167-7322

DOI
Application of R matrix/MQDT method to valence and core excitations in NO

Hiyama, M; Kosugi, N

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 39 ( 7 ) 1797 - 1811 2006年04月14日

ISSN: 0953-4075

DOI
Generalized trajectory surface hopping method based on the Zhu-Nakamura theory

Oloyede, P; Mil'nikov, G; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 124 ( 14 ) 2006年04月14日

ISSN: 0021-9606

DOI
Effects of intermolecular vibrational coupling and liquid dynamics on the polarized Raman and two-dimensional infrared spectral profiles of liquid N,N-dimethylformamide analyzed with a time-domain computational method

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 14 ) 4822 - 4832 2006年04月13日

ISSN: 1089-5639

DOI
Peptide recognition:: Encapsulation and α-helical folding of a nine-residue peptide within a hydrophobic dimeric capsule of a bowl-shaped host

Tashiro, S; Tominaga, M; Yamaguchi, Y; Kato, K; Fujita, M

CHEMISTRY-A EUROPEAN JOURNAL 12 ( 12 ) 3211 - 3217 2006年04月12日

ISSN: 0947-6539

DOI
Aromaticity-driven rupture of CN triple and CC double bonds:: Mechanism of the reaction between Cp2Ti(C4H4) and RCN

Suresh, CH; Koga, N

ORGANOMETALLICS 25 ( 8 ) 1924 - 1931 2006年04月10日

ISSN: 0276-7333

DOI
Reaction coordinate analysis of the S2-S1 internal conversion of phenylacetylene

Amatatsu, Y

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 13 ) 4479 - 4486 2006年04月06日

ISSN: 1089-5639

DOI
Mo LIII-edge XANES study of catalytically active Mo species on silica-alumina supports for methane dehydroaromatization

Aritani, H; Shinohara, S; Koyama, S; Otsuki, K; Kubo, T; Nakahira, A

CHEMISTRY LETTERS 35 ( 4 ) 416 - 417 2006年04月05日

ISSN: 0366-7022

DOI
N-band hubbard models.: III.: Boson-fermion and interaction-boson models for high-Tc superconductivity

Yamaguchi, K; Nakano, M; Nagao, H; Okumura, M; Yamanaka, S; Kawakami, T; Yamada, S; Yamaki, D; Kita … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 106 ( 5 ) 1052 - 1075 2006年04月05日

ISSN: 0020-7608

DOI
Non-Born-Oppenheimer effects predicted by translation-free nuclear orbital plus molecular orbital method

Sodeyama, K; Miyamoto, K; Nakai, H

CHEMICAL PHYSICS LETTERS 421 ( 1-3 ) 72 - 76 2006年04月03日

ISSN: 0009-2614

DOI
Continuous-wave high-power multi-pass pumped thin-disc Nd:GdVO4 laser

Pavel, N; Taira, T

OPTICS COMMUNICATIONS 260 ( 1 ) 271 - 276 2006年04月01日

ISSN: 0030-4018

DOI
First-principle molecular dynamics study of bond disruption and formation in SiO2 upon irradiation

Boero, M; Oshiyama, A; Silvestrelli, PL; Murakami, K

PHYSICA B-CONDENSED MATTER 376 945 - 949 2006年04月01日

ISSN: 0921-4526

DOI
Large-scale electronic-structure theory and nanoscale defects formed in cleavage process of silicon

Hoshi, T; Takayama, R; Iguchi, Y; Fujiwara, T

PHYSICA B-CONDENSED MATTER 376 975 - 978 2006年04月01日

ISSN: 0921-4526

DOI
Mechanism of oxide deformation during silicon thermal oxidation

Kageshima, H; Uematsu, M; Akagi, K; Tsuneyuki, S; Akiyama, T; Shiraishi, K

PHYSICA B-CONDENSED MATTER 376 407 - 410 2006年04月01日

ISSN: 0921-4526

DOI
Real-space density-functional calculations for Si divacancies with large size supercell models

Iwata, JI; Oshiyama, A; Shiraishi, K

PHYSICA B-CONDENSED MATTER 376 196 - 199 2006年04月01日

ISSN: 0921-4526

DOI
Reconstruction of mono-vacancies in carbon nanotubes: Atomic relaxation vs. spin polarization

Berber, S; Oshiyama, A

PHYSICA B-CONDENSED MATTER 376 272 - 275 2006年04月01日

ISSN: 0921-4526

DOI
Unique behavior of F-centers in high-k Hf-based oxides

Umezawa, N; Shiraishi, K; Ohno, T; Boero, M; Watanabe, H; Chikyow, T; Torii, K; Yamabe, K; Yamada, … 全著者表示

PHYSICA B-CONDENSED MATTER 376 392 - 394 2006年04月01日

ISSN: 0921-4526

DOI
17O NMR study of oxo metalloporphyrin complexes:: Correlation with electronic structure of M=O moiety

Fujii, H; Kurahashi, T; Tosha, T; Yoshimura, T; Kitagawa, T

JOURNAL OF INORGANIC BIOCHEMISTRY 100 ( 4 ) 533 - 541 2006年04月

ISSN: 0162-0134

DOI
Electronic and molecular structures of polyheteroles: II. Aromaticity and quinoidicity

Narita, Y; Takeda, K

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 45 ( 4A ) 2628 - 2642 2006年04月

ISSN: 0021-4922

DOI
Glycoform-dependent conformational alteration of the Fc region of human immunoglobulin G1 as revealed by NMR spectroscopy

Yamaguchi, Y; Nishimura, M; Nagano, M; Yagi, H; Sasakawa, H; Uchida, K; Shitara, K; Kato, K

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1760 ( 4 ) 693 - 700 2006年04月

ISSN: 0304-4165

DOI
Interchain coupling effects on photoinduced phase transitions between neutral and ionic phases in an extended Hubbard model with alternating potentials and an electron-lattice coupling

Yonemitsu, K

PHYSICAL REVIEW B 73 ( 15 ) 2006年04月

ISSN: 1098-0121

DOI
Linear algebraic calculation of the Green's function for large-scale electronic structure theory

Takayama, R; Hoshi, T; Sogabe, T; Zhang, SL; Fujiwara, T

PHYSICAL REVIEW B 73 ( 16 ) 2006年04月

ISSN: 1098-0121

DOI
Molecular simulations of the transport of molecules across the liquid/vapor interface of water

Garrett, BC; Schenter, GK; Morita, A

CHEMICAL REVIEWS 106 ( 4 ) 1355 - 1374 2006年04月

ISSN: 0009-2665

DOI
The discovery of organic semiconductors. Its light and shadow

Inokuchi, H

ORGANIC ELECTRONICS 7 ( 2 ) 62 - 76 2006年04月

ISSN: 1566-1199

DOI
The electronic structure and magnetic property of μ-hydroxo bridged manganese porphyrin dimer

Koizumi, K; Shoji, M; Kitagawa, Y; Ohoyama, H; Kasai, T; Yamaguchi, K

EUROPEAN PHYSICAL JOURNAL D 38 ( 1 ) 193 - 197 2006年04月

ISSN: 1434-6060

DOI
A solid-phase self-organized catalyst of nanopalladium with main-chain viologen polymers:: α-Alkylation of ketones with primary alcohols

Yamada, YMA; Uozumi, Y

ORGANIC LETTERS 8 ( 7 ) 1375 - 1378 2006年03月30日

ISSN: 1523-7060

DOI
Second hyperpolarizabilities (γ) of bisimidazole and bistriazole benzenes: Diradical character, charged state, and spin state dependences

Nakano, M; Kishi, R; Nakagawa, N; Ohta, S; Takahashi, H; Furukawa, SI; Kamada, K; Ohta, K; Champagn … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 12 ) 4238 - 4243 2006年03月30日

ISSN: 1089-5639

DOI
Study of anomalous mobility of polar molecular solutions by means of the site-site memory equation formalism

Kobryn, AE; Yamaguchi, T; Hirata, F

JOURNAL OF MOLECULAR LIQUIDS 125 ( 1 ) 14 - 21 2006年03月30日

ISSN: 0167-7322

DOI
Magnetic transitions of single-component molecular metal [Au(tmdt)2] and its alloy systems

Zhou, B; Shimamura, M; Fujiwara, E; Kobayashi, A; Higashi, T; Nishibori, E; Sakata, M; Cui, HB; Tak … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 12 ) 3872 - 3873 2006年03月29日

ISSN: 0002-7863

DOI
Symmetry-dependent vibrational excitation in N 1s photoionization of N2:: Experiment and theory -: art. no. 124311

Ehara, M; Nakatsuji, H; Matsumoto, M; Hatamoto, T; Liu, XJ; Lischke, T; Prümper, G; Tanaka, T; Mako … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 124 ( 12 ) 2006年03月28日

ISSN: 0021-9606

DOI
Theoretical study of ion desorption from poly-(methyl methacrylate) and poly-(isopropenyl acetate) thin films through core excitation

Takahashi, O; Tabayashi, K; Wada, SI; Sumii, R; Tanaka, K; Odelius, M; Pettersson, LGM

JOURNAL OF CHEMICAL PHYSICS 124 ( 12 ) 2006年03月28日

ISSN: 0021-9606

DOI
Evolution of the electronic properties of metallic single-walled carbon nanotubes with the degree of CCl2 covalent functionalization

Lu, J; Wang, D; Nagase, S; Ni, M; Zhang, XW; Maeda, Y; Wakahara, T; Nakahodo, T; Tsuchiya, T; Akasa … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 11 ) 5655 - 5658 2006年03月23日

ISSN: 1520-6106

DOI
A hybrid density-functional study of the one-dimensional ferromagnetic ordering of (BDTA)[Ni(mnt)2]

Taniguchi, T; Kawakami, T; Nishimura, Y; Okumura, M; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 420 ( 4-6 ) 397 - 400 2006年03月21日

ISSN: 0009-2614

DOI
A molecular dynamics study of sodium chenodeoxycholate in an aqueous solution

Nakashima, T; Iwahashi, K; Okazaki, S

CHEMICAL PHYSICS LETTERS 420 ( 4-6 ) 489 - 492 2006年03月21日

ISSN: 0009-2614

DOI
Analysis of a fluorescence depletion process of Rhodamine 6G in a PMMA matrix induced by nano- and picosecond lasers

Watanabe, T; Iketaki, Y; Sakai, M; Ohmori, T; Ueda, T; Yamanaka, T; Ishiuchi, SI; Fujii, M

CHEMICAL PHYSICS LETTERS 420 ( 4-6 ) 410 - 415 2006年03月21日

ISSN: 0009-2614

DOI
Characterization of molecular assemblies on silicon surfaces by attenuated total reflectance infrared spectroscopy

Ara, M; Yamada, R; Tada, H

THIN SOLID FILMS 499 ( 1-2 ) 8 - 12 2006年03月21日

ISSN: 0040-6090

DOI
Implementation of quantum gate operations in molecules with weak laser fields

Teranishi, Y; Ohtsuki, Y; Hosaka, K; Chiba, H; Katsuki, H; Ohmori, K

JOURNAL OF CHEMICAL PHYSICS 124 ( 11 ) 2006年03月21日

ISSN: 0021-9606

DOI
Isotope effects in the dissociation of the (B)over-tilde1A1 state of SiH2, SiHD, and SiD2 using three-dimensional wave packet propagation

Tokue, I; Yamasaki, K; Nanbu, S

JOURNAL OF CHEMICAL PHYSICS 124 ( 11 ) 2006年03月21日

ISSN: 0021-9606

DOI
Second hyperpolarizability of phenalenyl radical system involving acetylene π-conjugated bridge

Ohta, S; Nakano, M; Kubo, T; Kamada, K; Ohta, K; Kishi, R; Nakagawa, N; Champagne, B; Botek, E; Ume … 全著者表示

CHEMICAL PHYSICS LETTERS 420 ( 4-6 ) 432 - 437 2006年03月21日

ISSN: 0009-2614

DOI
Supported lipid bilayer formation by the giant vesicle fusion induced by vesicle-surface electrostatic attractive interaction

Kim, YH; Rahman, MM; Zhang, ZL; Misawa, N; Tero, R; Urisu, T

CHEMICAL PHYSICS LETTERS 420 ( 4-6 ) 569 - 573 2006年03月21日

ISSN: 0009-2614

DOI
Synthesis and photochemical behavior of metalloporphyrin complexes containing a photochromic axial ligand

Tsutsumi, O; Sato, H; Takeda, K; Ogawa, T

THIN SOLID FILMS 499 ( 1-2 ) 219 - 223 2006年03月21日

ISSN: 0040-6090

DOI
Synthesis and self-assembly of novel porphyrin molecular wires

Kawao, M; Ozawa, H; Tanaka, H; Ogawa, T

THIN SOLID FILMS 499 ( 1-2 ) 23 - 28 2006年03月21日

ISSN: 0040-6090

DOI
Quantum dynamics of exciton recurrence motion in dendritic molecular aggregates

Nitta, H; Shoji, M; Takahata, M; Nakano, M; Yamaki, D; Yamaguchi, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 178 ( 2-3 ) 264 - 270 2006年03月20日

ISSN: 1010-6030

DOI
Atomic and electronic structures of carbon nanotubes on Si(001) stepped surfaces

Berber, S; Oshiyama, A

PHYSICAL REVIEW LETTERS 96 ( 10 ) 2006年03月17日

ISSN: 0031-9007

DOI
Visualizing picometric quantum ripples of ultrafast wave-packet interference

Katsuki, H; Chiba, H; Girard, B; Meier, C; Ohmori, K

SCIENCE 311 ( 5767 ) 1589 - 1592 2006年03月17日

ISSN: 0036-8075

DOI
Theoretical studies on the Li+ ion hydration system by the molecular dynamics simulations with ab initio IMiC MO method

Morita, S; Sakai, S

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 79 ( 3 ) 397 - 405 2006年03月15日

ISSN: 0009-2673

DOI
Electron correlation in Xe 4d Auger decay studied by slow photoelectron-Auger electron coincidence spectroscopy

Sheinerman, S; Lablanquie, P; Penent, F; Palaudoux, J; Eland, JHD; Aoto, T; Hikosaka, Y; Ito, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 39 ( 5 ) 1017 - 1033 2006年03月14日

ISSN: 0953-4075

DOI
Large Raman-scattering activities for the low-frequency modes of substituted benzenes: Induced polarizability and stereo-specific ring-substituent interactions

Yamakita, Y; Isogai, Y; Ohno, K

JOURNAL OF CHEMICAL PHYSICS 124 ( 10 ) 2006年03月14日

ISSN: 0021-9606

DOI
Conformational equilibria in liquids consisting of small chain molecules

Ishizuka, R; Hirata, F

CHEMICAL PHYSICS LETTERS 420 ( 1-3 ) 135 - 139 2006年03月10日

ISSN: 0009-2614

DOI
Implementation of Surjan's density matrix formulae for calculating second-order Moller-Plesset energy

Kobayashi, M; Nakai, H

CHEMICAL PHYSICS LETTERS 420 ( 1-3 ) 250 - 255 2006年03月10日

ISSN: 0009-2614

DOI
Real-time observation of phase-controlled molecular wave-packet interference

Ohmori, K; Katsuki, H; Chiba, H; Honda, M; Hagihara, Y; Fujiwara, K; Sato, Y; Ueda, K

PHYSICAL REVIEW LETTERS 96 ( 9 ) 2006年03月10日

ISSN: 0031-9007

DOI
Enol-to-keto tautomerism of peptide groups

Kamiya, K; Boero, M; Shiraishi, K; Oshiyama, A

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 9 ) 4443 - 4450 2006年03月09日

ISSN: 1520-6106

DOI
A surface hopping method for chemical reaction dynamics in solution described by diabatic representation: An analysis of tunneling and thermal activation

Yamada, A; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 124 ( 9 ) 2006年03月07日

ISSN: 0021-9606

DOI
Time-dependent density functional theory calculations for core-excited states: Assessment of standard exchange-correlation functionals and development of a novel hybrid functional

Nakata, A; Imamura, Y; Otsuka, T; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 124 ( 9 ) 2006年03月07日

ISSN: 0021-9606

DOI
Structural and spectroscopic characterizations of low-spin [Fe(4,4′-dimethyl-2,2′-bipyridine)3](NCS)2•3H2O prepared from high-spin iron(II) dithiocyanate tetrapyridine

Huang, W; Ogawa, T

JOURNAL OF MOLECULAR STRUCTURE 785 ( 1-3 ) 21 - 26 2006年03月06日

ISSN: 0022-2860

DOI
Recent development of multireference density functional theory

Yamanaka, S; Nakata, K; Takada, T; Kusakabe, K; Ugaide, JM; Yamaguchi, K

CHEMISTRY LETTERS 35 ( 3 ) 242 - 247 2006年03月05日

ISSN: 0366-7022

DOI
Theoretical study on the lithium-halogen exchange reaction of 1,1-dihaloalkenes with methyllithium and the nucleophilic substitution reaction of the resulting α-halo alkenyllithiums

Ando, K

JOURNAL OF ORGANIC CHEMISTRY 71 ( 5 ) 1837 - 1850 2006年03月03日

ISSN: 0022-3263

DOI
Growth mode and molecular orientation of phthalocyanine molecules on metal single crystal substrates: A NEXAFS and XPS study

Kera, S; Casu, MB; Bauchspiess, KR; Batchelor, D; Schmidt, T; Umbach, E

SURFACE SCIENCE 600 ( 5 ) 1077 - 1084 2006年03月01日

ISSN: 0039-6028

DOI
Theoretical study on the second hyperpolarizabilities of tetrathiafulvalene (TTF) and tetrathiapentalene (TTP) using highly correlated ab initio MO and the density functional theory methods

Yamada, S; Nakano, M; Kishi, R; Ohta, S; Takahashi, H; Furukawa, S; Nitta, T; Yamaguchi, K

SYNTHETIC METALS 156 ( 5-6 ) 375 - 378 2006年03月01日

ISSN: 0379-6779

DOI
A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions

Yoshida, N; Hirata, F

JOURNAL OF COMPUTATIONAL CHEMISTRY 27 ( 4 ) 453 - 462 2006年03月

ISSN: 0192-8651

DOI
A new parallel algorithm of MP2 energy calculations

Ishimura, K; Pulay, P; Nagase, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 27 ( 4 ) 407 - 413 2006年03月

ISSN: 0192-8651

DOI
An empirical potential approach to wurtzite-zinc-blende polytypism in group III-V semiconductor nanowires

Akiyama, T; Sano, K; Nakamura, K; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 45 ( 8-11 ) L275 - L278 2006年03月

ISSN: 0021-4922

DOI
Charge ordering state of β"-(ET)3(HSO4)2 and β"-(ET)3(ClO4)2 by temperature-dependent infrared and Raman spectroscopy

Yamamoto, T; Uruichi, M; Yakushi, K; Kawamoto, A

PHYSICAL REVIEW B 73 ( 12 ) 2006年03月

ISSN: 2469-9950

DOI
Development of symmetry-resolved zero-kinetic-energy photoelectron spectroscopy for probing multielectron processes

Gejo, T; Nakamura, E; Shigemasa, E

REVIEW OF SCIENTIFIC INSTRUMENTS 77 ( 3 ) 2006年03月

ISSN: 0034-6748

DOI
Murnaghan's equation of state revisited

Fuchizaki, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 3 ) 2006年03月

ISSN: 0031-9015

DOI
Neodymium concentration dependence of 0.94-, 1.06- and 1.34-μm laser emission and of heating effects under 809- and 885-nm diode laser pumping of Nd:YAG

Pavel, N; Lupei, V; Saikawa, J; Taira, T; Kan, H

APPLIED PHYSICS B-LASERS AND OPTICS 82 ( 4 ) 599 - 605 2006年03月

ISSN: 0946-2171

DOI
On the reversible O2 binding of the Fe-porphyrin complex

Nakashima, H; Hasegawa, JY; Nakatsuji, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 27 ( 4 ) 426 - 433 2006年03月

ISSN: 0192-8651

DOI
Origin of photocarrier traps in photorefractive α-LiIO3 crystals by optical measurement and cluster calculation

Kitaura, M; Fujita, N; Itoh, M; Nakagawa, H

PHYSICAL REVIEW B 73 ( 11 ) 2006年03月

ISSN: 1098-0121

DOI
Origin of slow relaxation in liquid-water dynamics: A possible scenario for the presence of bottleneck in phase space

Shudo, A; Ichiki, K; Saito, S

EUROPHYSICS LETTERS 73 ( 6 ) 826 - 832 2006年03月

ISSN: 0295-5075

DOI
Preparation of very reactive thiol-protected gold nanoparticles: Revisiting the Brust-Schiffrin method

Araki, K; Mizuguchi, E; Tanaka, H; Ogawa, T

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 6 ( 3 ) 708 - 712 2006年03月

ISSN: 1533-4880

DOI
Scanning-tunneling microscopy, near-edge X-ray-absorption fine structure, and density-functional theory studies of N2O orientation on Pd(110)

Watanabe, K; Kokalj, A; Horino, H; Rzeznicka, II; Takahashi, K; Nishi, N; Matsushima, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 45 ( 3B ) 2290 - 2294 2006年03月

ISSN: 0021-4922

DOI
Simple preparation method for supramolecular porphyrin arrays on mica using air-water interface

Sato, H; Tsutsumi, O; Takeda, K; Tanaka, H; Ogawa, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 45 ( 3B ) 2324 - 2327 2006年03月

ISSN: 0021-4922

DOI
Two-step single-ionization mechanisms

van Boeyen, RW; Watanabe, N; Cooper, JW; Doering, JP; Moore, JH; Coplan, MA

PHYSICAL REVIEW A 73 ( 3 ) 2006年03月

ISSN: 1050-2947

DOI
Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization

Tamura, H; Nanbu, S; Ishida, T; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 124 ( 8 ) 2006年02月28日

ISSN: 0021-9606

DOI
Roles of the herne distal residues of FixL in O2 sensing:: A single convergent structure of the heme moiety is relevant to the downregulation of kinase activity

Tanaka, A; Nakamura, H; Shiro, Y; Fujii, H

BIOCHEMISTRY 45 ( 8 ) 2515 - 2523 2006年02月28日

ISSN: 0006-2960

DOI
An isodesmic reaction based approach to aromaticity of a large spectrum of molecules

Suresh, CH; Koga, N

CHEMICAL PHYSICS LETTERS 419 ( 4-6 ) 550 - 556 2006年02月26日

ISSN: 0009-2614

DOI
Theoretical study of the X-ray absorption spectra of small formic acid clusters

Takahashi, O; Yamanouchi, S; Yamamoto, K; Tabayashi, K

CHEMICAL PHYSICS LETTERS 419 ( 4-6 ) 501 - 505 2006年02月26日

ISSN: 0009-2614

DOI
Improved computation of sum frequency generation spectrum of the surface of water

Morita, A

JOURNAL OF PHYSICAL CHEMISTRY B 110 ( 7 ) 3158 - 3163 2006年02月23日

ISSN: 1520-6106

DOI
Electron localization in negatively charged formamide clusters studied by photodetachment spectroscopy

Maeyama, T; Negishi, Y; Tsukuda, T; Yagi, I; Mikami, N

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 8 ( 7 ) 827 - 833 2006年02月21日

ISSN: 1463-9076

DOI
Metal-organic frameworks from homometallic chains of nickel(II) and 1,4-cyclohexanedicarboxylate connectors: Ferrimagnet-ferromagnet transformation

Kurmoo, M; Kumagai, H; Akita-Tanaka, M; Inoue, K; Takagi, S

INORGANIC CHEMISTRY 45 ( 4 ) 1627 - 1637 2006年02月20日

ISSN: 0020-1669

DOI
La2@C72 and Sc2@C72:: Computational characterizations

Slanina, Z; Chen, ZF; Schleyer, PV; Uhlík, F; Lu, X; Nagase, S

JOURNAL OF PHYSICAL CHEMISTRY A 110 ( 6 ) 2231 - 2234 2006年02月16日

ISSN: 1089-5639

DOI
A QM/MM study combined with the theory of energy representation:: Solvation free energies for anti/syn acetic acids in aqueous solution

Hori, T; Takahashi, H; Nakano, M; Nitta, T; Yang, WT

CHEMICAL PHYSICS LETTERS 419 ( 1-3 ) 240 - 244 2006年02月15日

ISSN: 0009-2614

DOI
Infrared photodissociation spectroscopy of [Al(NH3)n]+ (n=1-5):: Solvation structures and insertion reactions of Al+ into NH3

Mune, Y; Ohashi, K; Iino, T; Inokuchi, Y; Judai, K; Nishi, N; Sekiya, H

CHEMICAL PHYSICS LETTERS 419 ( 1-3 ) 201 - 206 2006年02月15日

ISSN: 0009-2614

DOI
Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton-phonon coupling

Ohta, S; Nakano, M; Kishi, R; Takahashi, H; Furukawa, S

CHEMICAL PHYSICS LETTERS 419 ( 1-3 ) 70 - 74 2006年02月15日

ISSN: 0009-2614

DOI
Orientation of avidin molecules immobilized on COOH-modified SiO2/Si(100) surfaces

Misawa, N; Yamamura, S; Yong-Hoon, K; Tero, R; Nonogaki, Y; Urisu, T

CHEMICAL PHYSICS LETTERS 419 ( 1-3 ) 86 - 90 2006年02月15日

ISSN: 0009-2614

DOI
Time-dependent density functional theory (TDDFT) calculations for core-excited states: Assessment of an exchange functional combining the Becke88 and van Leeuwen-Baerends-type functionals

Imamura, Y; Nakai, H

CHEMICAL PHYSICS LETTERS 419 ( 1-3 ) 297 - 303 2006年02月15日

ISSN: 0009-2614

DOI
Auger decay calculations with core-hole excited-state molecular-dynamics simulations of water

Takahashi, O; Odelius, M; Nordlund, D; Nilsson, A; Bluhm, H; Pettersson, LGM

JOURNAL OF CHEMICAL PHYSICS 124 ( 6 ) 2006年02月14日

ISSN: 0021-9606

DOI
Synthesis and reactivity of a dithiolate-bridged ruthenium-rhodium heterobimetallic dihydride complex

Takemoto, S; Shimadzu, D; Kamikawa, K; Matsuzaka, H; Nomura, R

ORGANOMETALLICS 25 ( 4 ) 982 - 988 2006年02月13日

ISSN: 0276-7333

DOI
Fluorescence of Ce3+ in fluorides and long-lasting phosphorescence of Ce3+ in oxides

Yamaga, M; Kodama, N

JOURNAL OF ALLOYS AND COMPOUNDS 408 706 - 710 2006年02月09日

ISSN: 0925-8388

DOI
Luminescence of NaGdF4:Tb3+, Eu3+ under vacuum ultraviolet excitation

Hirai, T; Ohno, N; Hashimoto, S; Sakuragi, S

JOURNAL OF ALLOYS AND COMPOUNDS 408 894 - 897 2006年02月09日

ISSN: 0925-8388

DOI
Ultraviolet irradiation effect of Ce3+-doped BaMgF4 crystals

Hayashi, E; Ito, K; Yabashi, S; Yamaga, M; Kodama, N; Ono, S; Sarukura, N

JOURNAL OF ALLOYS AND COMPOUNDS 408 883 - 885 2006年02月09日

ISSN: 0925-8388

DOI
Analysis of lanthanide-induced NMR shifts of the Ce@C82 anion

Yamada, M; Wakahara, T; Lian, YF; Tsuchiya, T; Akasaka, T; Waelchli, M; Mizorogi, N; Nagase, S; Kad … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 5 ) 1400 - 1401 2006年02月08日

ISSN: 0002-7863

DOI
Synthesis and structural characterization of endohedral pyrrolidinodimetallofullerene:: La2@C80(CH2)2NTrt

Yamada, M; Wakahara, T; Nakahodo, T; Tsuchiya, T; Maeda, Y; Akasaka, T; Yoza, K; Horn, E; Mizorogi, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 5 ) 1402 - 1403 2006年02月08日

ISSN: 0002-7863

DOI
Inner-shell ionizations and satellites studied by the open-shell reference symmetry-adapted cluster/symmetry-adapted cluster configuration-interaction method

Ohtsuka, Y; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 124 ( 5 ) 2006年02月07日

ISSN: 0021-9606

DOI
Optical properties of nanocrystalline FeSi2 and the effects of hydrogenation

Takarabe, K; Doi, H; Mori, Y; Fukui, K; Shim, Y; Yamamoto, N; Yoshitake, T; Nagayama, K

APPLIED PHYSICS LETTERS 88 ( 6 ) 2006年02月06日

ISSN: 0003-6951

DOI
Physical properties and field-effect transistors based on novel thiazolothiazole/heterocyclic and thiazolothiazole/phenylene co-oligomers

Ando, S; Nishida, J; Fujiwara, E; Tada, H; Inoue, Y; Tokito, S; Yamashita, Y

SYNTHETIC METALS 156 ( 2-4 ) 327 - 331 2006年02月01日

ISSN: 0379-6779

DOI
Analysis of interactions between luciferase and Si substrates using molecular dynamics simulations

Nishiyama, K; Watanabe, T; Hoshino, T; Ohdomari, I

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 45 ( 2A ) 1021 - 1025 2006年02月

ISSN: 0021-4922

DOI
Anomalous magnetic-field-hysteresis of quantum oscillations in κ-(BETS)2FeBr4

Konoike, T; Uji, S; Terashima, T; Nishimura, M; Yamaguchi, T; Enomoto, K; Fujiwara, H; Zhang, B; Ko … 全著者表示

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 527 - 530 2006年02月

ISSN: 0022-2291

DOI
Charge and anion ordering in (TMTTF)2X quasi-one-dimensional conductors

Monceau, P; Nad, F; Fabre, JM; Nakamura, T

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 367 - 372 2006年02月

ISSN: 0022-2291

DOI
EPR study of the electronic states of β-(BEDT-TTF)(TCNQ)

Konno, S; Kazama, S; Hiraoka, M; Sakamoto, H; Mizoguchi, K; Taniguchi, H; Nakamura, T; Furukawa, K

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 621 - 624 2006年02月

ISSN: 0022-2291

DOI
Electron spin dynamics in (Dme-DCNQI)2M (M = Li1-xCux (x < 0.14), Ag)

Hiraoka, M; Sakamoto, H; Mizoguchi, K; Kato, R; Kato, T; Nakamura, T; Furukawa, K; Hiraki, K; Takah … 全著者表示

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 617 - 620 2006年02月

ISSN: 0022-2291

DOI
Hybrid molecular metals based on BEDO-TTF salts with paramagnetic [CrNO(CN)5]3- and [M(CN)6]3- anions, M=Fe, Cr

Dubrovskii, A; Prokhorova, T; Spitsina, N; Kazakova, A; Kushch, N; Buravov, L; Simonov, S; Zorina, … 全著者表示

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 137 - 140 2006年02月

ISSN: 0022-2291

DOI
Incoherent-coherent crossover behavior in κ-(BEDT-TTF)2X, probed by 13C-NMR and optical studies

Kawamoto, A; Homna, Y; Kumagai, K; Yamamoto, K; Yakushi, K

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 519 - 522 2006年02月

ISSN: 0022-2291

DOI
Interchain-coupling effects on photoinduced neutral-ionic transition dynamics in mixed-stack charge-transfer complexes

Yonemitsu, K

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 499 - 502 2006年02月

ISSN: 0022-2291

DOI
Low temperature study of the mixed donor system (TMTSF1-xTMTTFx)2PF6:: Crystal structure, ESR and transport property

Oshima, K; Kambe, T; Naughton, MJ; Kato, K; Kobayashi, H

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 551 - 554 2006年02月

ISSN: 0022-2291

DOI
Multibaric-multithermal ensemble molecular dynamics simulations

Okumura, H; Okamoto, Y

JOURNAL OF COMPUTATIONAL CHEMISTRY 27 ( 3 ) 379 - 395 2006年02月

ISSN: 0192-8651

DOI
Observation of antiferromagnetic spin-flop transition in γ-type BETS salts using AFM microcantilever

Tanaka, H; Hara, S; Tokumoto, M; Cui, HB; Kobayashi, H; Kobayashi, A

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 605 - 608 2006年02月

ISSN: 0022-2291

DOI
Phase separation in the monovalent-to-divalent phase transition of biferrocenium-(F1TCNQ)3

Uruichi, M; Yakushi, K; Mochida, T

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 655 - 658 2006年02月

ISSN: 0022-2291

DOI
Photogenerated carriers in SrTiO3 probed by mid-infrared absorption

Okamura, H; Matsubara, M; Tanaka, K; Fukui, K; Terakami, M; Nakagawa, H; Ikemoto, Y; Moriwaki, T; K … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 2 ) 2006年02月

ISSN: 0031-9015

DOI
Redistribution of electronic charge in (TMTTF)2ReO4:: 13C NMR investigation

Nakamura, T; Hara, T; Furukawa, K

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 629 - 632 2006年02月

ISSN: 0022-2291

DOI
Shear stress effect on thin films of platinum complex Pt(dpg)2 and chromic compounds

Inokuchi, M; Kawamura, A; Sakka, Y; Yabuuchi, K; Yakushi, K; Shirotani, I; Hayashi, J; Kawamura, H; … 全著者表示

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 211 - 214 2006年02月

ISSN: 0022-2291

DOI
Unusual electronic state of layered θ-(ET)2X studied by Raman spectroscopy

Yakushi, K; Suzuki, K; Yamamoto, K; Yamamoto, T; Kawamoto, A

JOURNAL OF LOW TEMPERATURE PHYSICS 142 ( 3-4 ) 659 - 662 2006年02月

ISSN: 0022-2291

DOI
Behavior of water molecules in ATPase pocket of myosin

Yamanaka, K; Okimoto, N; Neya, S; Hata, M; Hoshino, T

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 758 ( 2-3 ) 97 - 105 2006年01月31日

ISSN: 0166-1280

DOI
Electrophilic O-methylation of a terminal nitrosyl ligand attained by an early-late heterobimetallic effect

Arashiba, K; Matsukawa, S; Kuwata, S; Tanabe, Y; Iwasaki, M; Ishii, Y

ORGANOMETALLICS 25 ( 3 ) 560 - 562 2006年01月30日

ISSN: 0276-7333

DOI
Optical pseudogap from iron states in filled skutterudites AFe4Sb12 (A =Yb,Ca,Ba) -: art. no. 037406

Sichelschmidt, J; Voevodin, V; Im, HJ; Kimura, S; Rosner, H; Leithe-Jasper, A; Schnelle, W; Burkhar … 全著者表示

PHYSICAL REVIEW LETTERS 96 ( 3 ) 2006年01月27日

ISSN: 0031-9007

DOI
Second hyperpolarizabilities of polycyclic aromatic hydrocarbons involving phenalenyl radical units

Nakano, M; Kubo, T; Kamada, K; Ohta, K; Kishi, R; Ohta, S; Nakagawa, N; Takahashi, H; Furukawa, S; … 全著者表示

CHEMICAL PHYSICS LETTERS 418 ( 1-3 ) 142 - 147 2006年01月25日

ISSN: 0009-2614

DOI
Synthesis and properties of a new kinetically stabilized digermyne: New insights for a germanium analogue of an alkyne

Sugiyama, Y; Sasamori, T; Hosoi, Y; Furukawa, Y; Takagi, N; Nagase, S; Tokitoh, N

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 128 ( 3 ) 1023 - 1031 2006年01月25日

ISSN: 0002-7863

DOI
Highly efficient pumping configuration for microchip solid-state laser

Dascalu, T; Taira, T

OPTICS EXPRESS 14 ( 2 ) 670 - 677 2006年01月23日

ISSN: 1094-4087

DOI
Electronic spectra and photodissociation of vinyl chloride: A symmetry-adapted cluster configuration interaction study

Arulmozhiraja, S; Fukuda, R; Ehara, M; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 124 ( 3 ) 2006年01月21日

ISSN: 0021-9606

DOI
Designing split reporter proteins for analytical tools

Ozawa, T

ANALYTICA CHIMICA ACTA 556 ( 1 ) 58 - 68 2006年01月18日

ISSN: 0003-2670

DOI
Comparison of basicity of the diimine and quinoid group of 1,10-phenanthroline-5,6-dione ligated on Pt(II)

Okamura, R; Fujihara, T; Wada, T; Tanaka, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 79 ( 1 ) 106 - 112 2006年01月15日

ISSN: 0009-2673

DOI
Ab initio MO and quasi-classical direct ab initio MD studies on the nitrogen inversion of trimethylamine

Tanaka, M; Aida, M

CHEMICAL PHYSICS LETTERS 417 ( 4-6 ) 316 - 319 2006年01月10日

ISSN: 0009-2614

DOI
Asymmetric π-allylic etherification of cycloalkenyl esters with phenols in water using a resin-supported chiral palladium complex

Uozumi, Y; Kimura, M

TETRAHEDRON-ASYMMETRY 17 ( 1 ) 161 - 166 2006年01月09日

ISSN: 0957-4166

DOI
Photoluminescence from gold nanoplates induced by near-field two-photon absorption

Imura, K; Nagahara, T; Okamoto, H

APPLIED PHYSICS LETTERS 88 ( 2 ) 2006年01月09日

ISSN: 0003-6951

DOI
Vibrationally resolved C and O 1s photoelectron spectra of carbon monoxides

Matsumoto, M; Ueda, K; Kukk, E; Yoshida, H; Tanaka, T; Kitajima, M; Tanaka, H; Tamenori, Y; Kuramot … 全著者表示

CHEMICAL PHYSICS LETTERS 417 ( 1-3 ) 89 - 93 2006年01月09日

ISSN: 0009-2614

DOI
A magnetic organic conductor based on a π donor with a stable radical and a magnetic anion -: A step to magnetic organic metals with two kinds of localized spin systems

Otsubo, S; Cui, HB; Lee, HJ; Fujiwara, H; Takahashi, K; Okano, Y; Kobayashi, H

CHEMISTRY LETTERS 35 ( 1 ) 130 - 131 2006年01月05日

ISSN: 0366-7022

DOI
Near-field imaging of surface-enhanced Raman active sites in aggregated gold nanoparticles

Imura, K; Okamoto, H; Hossain, MK; Kitajima, M

CHEMISTRY LETTERS 35 ( 1 ) 78 - 79 2006年01月05日

ISSN: 0366-7022

DOI
13C NMR analyses of successive charge ordering in (TMTTF)2ReO4

Nakamura, T; Furukawa, K; Hara, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 1 ) 2006年01月

ISSN: 0031-9015

DOI
k-dependent spectrum and optical conductivity near metal-insulator transition in multi-orbital Hubbard bands

Miura, O; Fujiwara, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 1 ) 2006年01月

ISSN: 0031-9015

DOI
Generation of 6 μm radiation by optical parametric oscillator and difference frequency generation in periodically poled LiNbO3

Yi, JH; Ishizuki, H; Shoji, I; Taira, T; Kurimura, S

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 45 ( 1A ) 111 - 115 2006年01月

ISSN: 0021-4922

DOI
Localization of conduction electrons and the magnetic properties of the molecular metals β"-(BEDT-TTF)4NH4[M(C2O4)3] • DMF (M = Cr3+, Fe3+)

Morgunov, RB; Shibaeva, RP; Yagubskii, ÉB; Kato, T; Tanimoto, Y

JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS 102 ( 1 ) 121 - 130 2006年01月

ISSN: 1063-7761

DOI
Redistribution of electronic charges in spin-Peierls state in (TMTTF)2AsF6 observed by 13C NMR

Fujiyama, S; Nakamura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 1 ) 2006年01月

ISSN: 0031-9015

DOI
Solution structures and behavior of trans-RuH(η1-BH4) (binap)(1,2-diamine) complexes

Sandoval, CA; Yamaguchi, Y; Ohkuma, T; Kato, K; Noyori, R

MAGNETIC RESONANCE IN CHEMISTRY 44 ( 1 ) 66 - 75 2006年01月

ISSN: 0749-1581

DOI
Some physical properties of the Weeks-Chandler-Andersen fluid

Heyes, DM; Okumura, H

MOLECULAR SIMULATION 32 ( 1 ) 45 - 50 2006年01月

ISSN: 0892-7022

DOI
Spin and charge excitations in the anisotropic Hubbard ladder at quarter filling with charge-ordering instability

Ohta, Y; Nakaegawa, T; Ejima, S

PHYSICAL REVIEW B 73 ( 4 ) 2006年01月

ISSN: 2469-9950

DOI
Synthesis and characterization of TiO2 doped with P ions by anodic oxidation of titanium in acid solution

Nakahira, A; Konishi, K; Yokota, K; Honma, T; Aritani, H; Tanaka, K

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN 114 ( 1325 ) 46 - 50 2006年01月

ISSN: 1882-0743

DOI
Theory of photoinduced phase transitions

Yonemitsu, K; Nasu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 75 ( 1 ) 2006年01月

ISSN: 0031-9015

DOI
C 1s → π* excitation in variable size benzene clusters

Bradeanu, IL; Flesch, R; Kosugi, N; Pavlychev, AA; Rühl, E

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 8 ( 16 ) 1906 - 1913 2006年

ISSN: 1463-9076

DOI
Carbon monoxide inside an open-cage fullerene

Iwamatsu, S; Stanisky, CM; Cross, RJ; Saunders, M; Mizorogi, N; Nagase, S; Murata, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 45 ( 32 ) 5337 - 5340 2006年

ISSN: 1433-7851

DOI
Computations of the energetics of C60F36 isomers

Slanina, Z; Uhlík, F; Ishimura, K; Nagase, S

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 14 ( 1 ) 57 - 65 2006年

ISSN: 1536-383X

DOI
Construction of glycosylated myoglobin by reconstitutional method

Matsuo, T; Nagai, H; Hisaeda, Y; Hayashi, T

CHEMICAL COMMUNICATIONS ( 29 ) 3131 - 3133 2006年

ISSN: 1359-7345

DOI
Effects of pressure and shear stress on the absorption spectra of thin films of pentacene

Shirotani, I; Hayashi, J; Takeda, K; Kawamura, H; Inokuchi, M; Yakushi, K; Inokuchi, H

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 461 111 - 122 2006年

ISSN: 1542-1406

DOI
Folding a de novo designed peptide into an α-helix through hydrophobic binding by a bowl-shaped host

Tashiro, S; Tominaga, M; Yamaguchi, Y; Kato, K; Fujita, M

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 45 ( 2 ) 241 - 244 2006年

ISSN: 1433-7851

DOI
Heteroatom-guided torquoselective olefination of α-oxy and α-amino ketones via ynolates

Shindo, M; Yoshikawa, T; Itou, Y; Mori, S; Nishii, T; Shishido, K

CHEMISTRY-A EUROPEAN JOURNAL 12 ( 2 ) 524 - 536 2006年

ISSN: 0947-6539

DOI
Metal enolates of α-CF3 ketones:: Theoretical guideline, direct generation, and synthetic use

Mikami, K; Itoh, Y

CHEMICAL RECORD 6 ( 1 ) 1 - 11 2006年

ISSN: 1527-8999

DOI
Molecular cage, one-dimensional tube and two-dimensional polycatenane obtained from reactions of flexible tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene with copper salts

Meng, WL; Fan, J; Okamura, T; Kawaguchi, H; Lv, Y; Sun, WY; Ueyama, N

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE 632 ( 10-11 ) 1890 - 1896 2006年

ISSN: 0044-2313

DOI
Molecular junctions composed of oligothiophene dithiol-bridged gold nanoparticles exhibiting photoresponsive properties

Huang, W; Masuda, G; Maeda, S; Tanaka, H; Ogawa, T

CHEMISTRY-A EUROPEAN JOURNAL 12 ( 2 ) 607 - 619 2006年

ISSN: 0947-6539

DOI
Morphology and electric properties of nonathiophene/Au nano-composite thin films formed between 1 μm gapped electrodes

Ogawa, T; Huang, W; Tanaka, H

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 455 305 - 309 2006年

ISSN: 1542-1406

DOI
NMR assignments of the b′ and a′ domains of thermophilic fungal protein disulfide isomerase

Nakano, M; Murakami, C; Yamaguchi, Y; Sasakawa, H; Harada, T; Kurimoto, E; Asami, O; Kajino, T; Kat … 全著者表示

JOURNAL OF BIOMOLECULAR NMR 36 44 - 44 2006年

ISSN: 0925-2738

DOI
Perfluoropentacene and perfluorotetracene: Syntheses, crystal structures, and FET characteristics

Sakamoto, Y; Suzuki, T; Kobayashi, M; Gao, Y; Inoue, Y; Tokito, S

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 444 225 - 232 2006年

ISSN: 1542-1406

DOI
Phase selective preparations and surface modifications of spherical hollow nanomagnets

Ohnishi, M; Kozuka, Y; Ye, QL; Yoshikawa, H; Awaga, K; Matsuno, R; Kobayashi, M; Takahara, A; Yokoy … 全著者表示

JOURNAL OF MATERIALS CHEMISTRY 16 ( 31 ) 3215 - 3220 2006年

ISSN: 0959-9428

DOI
Photochemistry of cyclohexane on Cu(111)

Yamaguchi, D; Matsumoto, T; Watanabe, K; Takagi, N; Matsumoto, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 8 ( 1 ) 179 - 185 2006年

ISSN: 1463-9076

DOI
Progress in ceramic lasers

Ikesue, A; Aung, YL; Taira, T; Kamimura, T; Yoshida, K; Messing, GL

ANNUAL REVIEW OF MATERIALS RESEARCH 36 397 - 429 2006年

ISSN: 1531-7331

DOI
Spectroscopic characterization of reaction intermediates in a model for copper nitrite reductase

Kujime, M; Fujii, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 45 ( 7 ) 1089 - 1092 2006年

ISSN: 1433-7851

DOI
Structural, optical, and electrical properties of one-dimensional bis(dimethylglyoximato) nickel(II), Ni(dmg)2 at high pressure

Takeda, K; Hayashi, J; Shirotani, I; Fukuda, H; Yakushi, K

MOLECULAR CRYSTALS AND LIQUID CRYSTALS 460 131 - 144 2006年

ISSN: 1542-1406

DOI
Supported phospholipid bilayer formation on hydrophilicity-controlled silicon dioxide surfaces

Tero, R; Watanabe, H; Urisu, T

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 8 ( 33 ) 3885 - 3894 2006年

ISSN: 1463-9076

DOI
Effect of adsorbate carbon on spin reorientation transitions in Cu-capped ultrathin Ni films on Cu(001)

Nakagawa, T; Watanabe, H; Yokoyama, T

SURFACE SCIENCE 599 ( 1-3 ) 262 - 269 2005年12月30日

ISSN: 0039-6028

DOI
Quantum chemical study on the deacylation step of human chymase

Hirano, Y; Shinmoto, N; Hata, M; Tsuda, M; Hoshino, T

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 757 ( 1-3 ) 19 - 27 2005年12月30日

ISSN: 0166-1280

DOI
Generation of terahertz radiation using zinc oxide as photoconductive material excited by ultraviolet pulses

Ono, S; Murakami, H; Quema, A; Diwa, G; Sarukura, N; Nagasaka, R; Ichikawa, Y; Ogino, H; Ohshima, E … 全著者表示

APPLIED PHYSICS LETTERS 87 ( 26 ) 2005年12月26日

ISSN: 0003-6951

DOI
Criticality of a liquid-vapor interface from an inhomogeneous integral equation theory

Omelyan, I; Hirata, F; Kovalenko, A

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 7 ( 24 ) 4132 - 4137 2005年12月21日

ISSN: 1463-9076

DOI
Chemical bonding, less screening, and Hund's rule revisited

Yamanaka, S; Koizumi, K; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 105 ( 6 ) 687 - 700 2005年12月20日

ISSN: 0020-7608

DOI
Possibilities of molecule-based spintoronics of DNA wires, sheets, and related materials

Kawakami, T; Taniguchi, T; Hamamoto, T; Kitagawa, Y; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 105 ( 6 ) 655 - 671 2005年12月20日

ISSN: 0020-7608

DOI
Quantum dynamics in high-spin molecules, spin dendrimers, and spin lattices

Takahata, M; Shoji, M; Nitta, H; Takeda, R; Yamanaka, S; Okumura, M; Nakano, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 105 ( 6 ) 615 - 627 2005年12月20日

ISSN: 0020-7608

DOI
Quantum spin correction scheme for ab initio spin-unrestricted solutions: Multiple bonds case

Yamanaka, S; Takeda, R; Shoji, M; Kitagawa, Y; Honda, H; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 105 ( 6 ) 605 - 614 2005年12月20日

ISSN: 0020-7608

DOI
Search for the ground states of ising spin clusters by using the genetic algorithms

Oda, A; Nagao, H; Kitagawa, Y; Shigeta, Y; Shoji, M; Nitta, H; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 105 ( 6 ) 645 - 654 2005年12月20日

ISSN: 0020-7608

DOI
Theory of chemical bonds in metalloenzymes II: Hybrid-DFT studies in iron-sulfur clusters

Shoji, M; Koizumi, K; Kitagawa, Y; Yamanaka, S; Kawakami, T; Okumura, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 105 ( 6 ) 628 - 644 2005年12月20日

ISSN: 0020-7608

DOI
Ab initio and DFT study of the 29Si NMR chemical shifts in RSiSiR

Karni, M; Apeloig, Y; Takagi, N; Nagase, S

ORGANOMETALLICS 24 ( 26 ) 6319 - 6330 2005年12月19日

ISSN: 0276-7333

DOI
A genetically encoded indicator for assaying bioactive chemicals that induce nuclear transport of glucocorticoid receptor

Kim, SB; Ozawa, T; Umezawa, Y

ANALYTICAL BIOCHEMISTRY 347 ( 2 ) 213 - 220 2005年12月15日

ISSN: 0003-2697

DOI
Photofragmentation study of hexamethyldisiloxane following core ionization and direct double ionization -: art. no. 234303

Céolin, D; Miron, C; Le Guen, K; Guillemin, R; Morin, P; Shigemasa, E; Millié, P; Ahmad, M; Lablanq … 全著者表示

JOURNAL OF CHEMICAL PHYSICS 123 ( 23 ) 2005年12月15日

ISSN: 0021-9606

DOI
Quantum-phase dynamics of two-component Bose-Einstein condensates: Collapse-revival of macroscopic superposition states

Nakano, M; Kishi, R; Ohta, S; Takahashi, H; Furukawa, S; Yamaguchi, K

PHYSICA B-CONDENSED MATTER 370 ( 1-4 ) 110 - 120 2005年12月15日

ISSN: 0921-4526

DOI
Vibrational spectra of β"-(ET)3X2 (X = HSO4, ClO4) salts

Yamamoto, T; Uruichi, M; Yamamoto, K; Yakushi, K; Kawamoto, A

SYNTHETIC METALS 155 ( 3 ) 628 - 630 2005年12月15日

ISSN: 0379-6779

DOI
A singly bonded derivative of endohedral metallofullerene:: La@C82CBr(COOC2H5)2

Feng, L; Nakahodo, T; Wakahara, T; Tsuchiya, T; Maeda, Y; Akasaka, T; Kato, T; Horn, E; Yoza, K; Mi … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 49 ) 17136 - 17137 2005年12月14日

ISSN: 0002-7863

DOI
A synthetic cycle for H2/CO activation and allene synthesis using recyclable zirconium complexes

Matsuo, T; Kawaguchi, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 49 ) 17198 - 17199 2005年12月14日

ISSN: 0002-7863

DOI
Preparation and O2 binding study of myoglobin having a cobalt porphycene

Matsuo, T; Tsuruta, T; Maehara, K; Sato, H; Hisaeda, Y; Hayashi, T

INORGANIC CHEMISTRY 44 ( 25 ) 9391 - 9396 2005年12月12日

ISSN: 0020-1669

DOI
Nature of the chemical bond in complex hydrides, NaAlH4, LiAlH4, LiBH4 and LiNH2

Yoshino, M; Komiya, K; Takahashi, Y; Shinzato, Y; Yukawa, H; Morinaga, M

JOURNAL OF ALLOYS AND COMPOUNDS 404 185 - 190 2005年12月08日

ISSN: 0925-8388

DOI
Organic metals based on an asymmetric π donor PEDT-TSF, (PEDT-TSF)2FeX4 (PEDT-TSF = pyrazinoethylenedithiotetraselenafulvalene;: X = Cl, Br)

Otsubo, S; Takahashi, K; Cui, HB; Okano, Y; Kobayashi, H

CHEMISTRY LETTERS 34 ( 12 ) 1598 - 1599 2005年12月05日

ISSN: 0366-7022

DOI
Photophysical and photochemical properties of the La@C82 anion

Fujitsuka, M; Ito, O; Maeda, Y; Wakahara, T; Tsuchiya, T; Nakahodo, T; Akasaka, T; Mizorogi, N; Nag … 全著者表示

CHEMISTRY LETTERS 34 ( 12 ) 1600 - 1601 2005年12月05日

ISSN: 0366-7022

DOI
Subnanometer-sized gold clusters with dual molecular receptors: Synthesis and assembly in one-dimensional arrangements

Negishi, Y; Tsunoyama, H; Yanagimoto, Y; Tsukuda, T

CHEMISTRY LETTERS 34 ( 12 ) 1638 - 1639 2005年12月05日

ISSN: 0366-7022

DOI
A new method to reconstruct three-dimensional spatial distribution function from radial distribution function in solvation structure

Yokogawa, D; Sato, H; Sakaki, S

JOURNAL OF CHEMICAL PHYSICS 123 ( 21 ) 2005年12月01日

ISSN: 0021-9606

DOI
4KF CDW induced by long range Coulomb interactions

Nad, FY; Monceau, P; Nagasawa, M; Nakamura, T

JOURNAL DE PHYSIQUE IV 131 15 - 19 2005年12月

ISSN: 1155-4339

DOI
13C NMR spectral study of Q1D organic conductor (TMTTF)2AsF6

Fujiyama, S; Nakamura, T

JOURNAL DE PHYSIQUE IV 131 33 - 37 2005年12月

ISSN: 1155-4339

DOI
A molecular simulation study on adsorption of acetone/water in mesoporous silicas modified by pore surface silylation

Furukawa, S; Nishiumi, T; Aoyama, N; Nitta, T; Nakano, M

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN 38 ( 12 ) 999 - 1007 2005年12月

ISSN: 0021-9592

DOI
Continuity of Ce 4f electronic structure across the quantum critical point:: A resonant photoemission study on CeNi1-xCoxGe2 -: art. no. 220405

Im, HJ; Ito, T; Hong, JB; Kimura, S; Kwon, YS

PHYSICAL REVIEW B 72 ( 22 ) 2005年12月

ISSN: 2469-9950

DOI
Depinning of the spin-density wave in (TMTTF)2Br under pressure

Nomura, K; Ishimura, K; Fujimoto, K; Matsunaga, N; Nakamura, T; Takahashi, T; Saito, G

JOURNAL DE PHYSIQUE IV 131 111 - 114 2005年12月

ISSN: 1155-4339

DOI
Deuteration effect and possible origin of the charge-ordering transition of (TMTTF)2X

Furukawa, K; Hara, T; Nakamura, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 ( 12 ) 3288 - 3294 2005年12月

ISSN: 0031-9015

DOI
Free-energy analysis of the Zr-Ni-Al bulk metallic glass from the local atomic arrangements of the relevant crystals

Takeuchi, T; Nakano, S; Hasegawa, M; Soda, K; Sato, H; Mizutani, U; Itoh, K; Fukunaga, T

MATERIALS TRANSACTIONS 46 ( 12 ) 2791 - 2798 2005年12月

ISSN: 1345-9678

DOI
Fully relativistic two-component-spinor approach in the ultrasoft-pseudopotential plane-wave method

Oda, T; Hosokawa, A

PHYSICAL REVIEW B 72 ( 22 ) 2005年12月

ISSN: 2469-9950

DOI
Heterogeneous asymmetric aquacatalysis with polymer-supported palladium complexes

Uozumi, Y

CATALYSIS SURVEYS FROM ASIA 9 ( 4 ) 269 - 278 2005年12月

ISSN: 1571-1013

DOI
Orbital picture in molecular inner-shell excited states of Rydberg-valence mixed character

Kosugi, N

BRAZILIAN JOURNAL OF PHYSICS 35 ( 4A ) 957 - 960 2005年12月

ISSN: 0103-9733

DOI
Selective transition to the closely-lying states Cs(7D3/2) and Cs(7D5/2) by femtosecond laser pulses -: art. no. 063404

Yamada, H; Yokoyama, K; Teranishi, Y; Sugita, A; Shirai, T; Aoyama, M; Akahane, Y; Inoue, N; Ueda, … 全著者表示

PHYSICAL REVIEW A 72 ( 6 ) 2005年12月

ISSN: 1050-2947

DOI
Effect of the axial cysteine ligand on the electronic structure and reactivity of high-valent iron(IV) oxo-porphyrins (Compound I): A theoretical study

Choe, YK; Nagase, S

JOURNAL OF COMPUTATIONAL CHEMISTRY 26 ( 15 ) 1600 - 1611 2005年11月30日

ISSN: 0192-8651

DOI
Biophysical properties of a c-type heme in chemotaxis signal transducer protein DcrA

Yoshioka, S; Kobayashi, K; Yoshimura, H; Uchida, T; Kitagawa, T; Aono, S

BIOCHEMISTRY 44 ( 46 ) 15406 - 15413 2005年11月22日

ISSN: 0006-2960

DOI
Dynamic arrest in a liquid of symmetric dumbbells: Reorientational hopping for small molecular elongations

Moreno, AJ; Chong, SH; Kob, W; Sciortino, F

JOURNAL OF CHEMICAL PHYSICS 123 ( 20 ) 2005年11月22日

ISSN: 0021-9606

DOI
Quantum dynamics driven by continuous laser fields under measurements: Towards measurement-assisted quantum dynamics control

Sugawara, M

JOURNAL OF CHEMICAL PHYSICS 123 ( 20 ) 2005年11月22日

ISSN: 0021-9606

DOI
Excitation mechanism and ultrafast vibrational wavepacket dynamics of alkali-metal atoms on Pt(111)

Matsumoto, Y; Watanabe, K; Takagi, N

SURFACE SCIENCE 593 ( 1-3 ) 110 - 115 2005年11月20日

ISSN: 0039-6028

DOI
Ion desorption caused by N Is core-level photoexcitation.of N2O on Si(100) surface

Nagaoka, S; Mase, K

SURFACE SCIENCE 593 ( 1-3 ) 276 - 282 2005年11月20日

ISSN: 0039-6028

DOI
Ion desorption induced by F 1s region transitions of poly(tetrafluoroethylene)

Okudaira, KK; Kobayashi, E; Kera, S; Mase, K; Ueno, N

SURFACE SCIENCE 593 ( 1-3 ) 297 - 302 2005年11月20日

ISSN: 0039-6028

DOI
A theoretical study of electronic structures and intermolecular magnetic interactions for spiro-biphenalenyls

Taniguchi, T; Kawakami, T; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2274 - 2279 2005年11月17日

ISSN: 0277-5387

DOI
A theoretical study of zero-field splitting of organic biradicals

Shoji, M; Koizumi, K; Hamamoto, T; Taniguchi, T; Takeda, R; Kitagawa, Y; Kawakami, T; Okumura, M; Y … 全著者表示

POLYHEDRON 24 ( 16-17 ) 2708 - 2715 2005年11月17日

ISSN: 0277-5387

DOI
Ab initio GSO-DFT study of spin-frustrated transition metal systems

Yamanaka, S; Takeda, R; Shoji, M; Koizumi, K; Kitagawa, Y; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2784 - 2788 2005年11月17日

ISSN: 0277-5387

DOI
Crystal structures and magnetic properties of chiral and achiral cyanide-bridged bimetallic layered compounds

Imai, H; Inoue, K; Kikuchi, K

POLYHEDRON 24 ( 16-17 ) 2808 - 2812 2005年11月17日

ISSN: 0277-5387

DOI
Density functional study of zero-field splitting

Takeda, R; Mitsuo, S; Yamanaka, S; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2238 - 2241 2005年11月17日

ISSN: 0277-5387

DOI
Electronic and spin structures of manganese clusters in the photosynthesis II system

Isobe, H; Shoji, M; Koizumi, K; Kitagawa, Y; Yamanaka, S; Kuramitsu, S; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2767 - 2777 2005年11月17日

ISSN: 0277-5387

DOI
Electronic structure and magnetism at the active site in ferredoxin:: Ab initio approach to (FC2S2)2+ complex with the 1st peptide shell

Oda, T; Nagao, H; Sugiyama, A; Wada, K

POLYHEDRON 24 ( 16-17 ) 2550 - 2556 2005年11月17日

ISSN: 0277-5387

DOI
Formulation of master equation approach involving spin-phonon coupling: Toward an understanding of spin dynamics in magnetic dendrimers

Takahata, M; Shoji, M; Yamanaka, S; Nakano, M; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2653 - 2657 2005年11月17日

ISSN: 0277-5387

DOI
Observation of spin-flop transition in antiferromagnetic organic molecular conductors using AFM micro-cantilever

Tokumoto, M; Tanaka, H; Otsuka, T; Kobayashi, H; Kobayashi, A

POLYHEDRON 24 ( 16-17 ) 2793 - 2795 2005年11月17日

ISSN: 0277-5387

DOI
Possibilities of magnetic modifications of DNA wires, sheets and related materials

Yamaguchi, K; Taniguchi, T; Kawakami, T; Hamamoto, T; Okumura, M

POLYHEDRON 24 ( 16-17 ) 2758 - 2766 2005年11月17日

ISSN: 0277-5387

DOI
Structure and magnetism of anion iron oxide clusters, FenOm- (n=3,4)

Shiroishi, H; Oda, T; Hamada, I; Fujima, N

POLYHEDRON 24 ( 16-17 ) 2472 - 2476 2005年11月17日

ISSN: 0277-5387

DOI
Theoretical direct evaluation of inter-dimer J values in BETS salts

Kawakami, T; Taniguchi, T; Shoji, M; Kitagawa, Y; Okumura, M; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2382 - 2388 2005年11月17日

ISSN: 0277-5387

DOI
Theoretical studies of magnetic interaction in organic π-radical and gold cluster hybrid systems

Mitsutaka, O; Yasutaka, K; Takeshi, T; Kizashi, Y

POLYHEDRON 24 ( 16-17 ) 2330 - 2336 2005年11月17日

ISSN: 0277-5387

DOI
Theoretical studies on dissociation of metal-carbon bond in Cobalamin: Formulation and calculation

Nishiyama, Y; Shoji, M; Koizumi, K; Maruno, Y; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2745 - 2750 2005年11月17日

ISSN: 0277-5387

DOI
Theoretical studies on ferrimagnetic behavior of TCNE and manganese porphyrin dimer

Koizumi, K; Shoji, M; Kitagawa, Y; Taniguchi, T; Kawakami, T; Okumura, M; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2720 - 2725 2005年11月17日

ISSN: 0277-5387

DOI
Theoretical studies on magnetic interactions and charge-dope effects in one-dimensional Ni5 and Ni7 complexes

Kitagawa, Y; Shoji, M; Koizumi, K; Kawakami, T; Okumura, M; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2751 - 2757 2005年11月17日

ISSN: 0277-5387

DOI
Theoretical studies on magnetic interactions between Ni(II) ions in urease

Maruno, Y; Shoji, M; Koizumi, K; Nishiyama, Y; Kitagawa, Y; Kawakami, T; Okumura, M; Yamaguchi, K

POLYHEDRON 24 ( 16-17 ) 2778 - 2783 2005年11月17日

ISSN: 0277-5387

DOI
Theoretical study on the magnetic interactions of active site in hemerythrin

Shoji, M; Hamamoto, T; Koizumi, K; Isobe, H; Kitagawa, Y; Takano, Y; Yamanaka, S; Okumura, M; Yamag … 全著者表示

POLYHEDRON 24 ( 16-17 ) 2701 - 2707 2005年11月17日

ISSN: 0277-5387

DOI
Water-induced ferromagnetism in cobalt acetylide CoC2 nanoparticles

Nishijo, J; Kosugi, K; Sawa, H; Okabe, C; Judai, K; Nishi, N

POLYHEDRON 24 ( 16-17 ) 2148 - 2152 2005年11月17日

ISSN: 0277-5387

DOI
Quantum rotation of carbonyl sulfide molecules in superfluid helium clusters: a path integral hybrid Monte Carlo study

Miura, S

JOURNAL OF PHYSICS-CONDENSED MATTER 17 ( 45 ) S3259 - S3264 2005年11月16日

ISSN: 0953-8984

DOI
Carbon-skinned metallic wires and magnetic nanocrystals prepared from metal acetylides

Judai, K; Nishijo, J; Okabe, C; Ohishi, O; Sawa, H; Nishi, N

SYNTHETIC METALS 155 ( 2 ) 352 - 356 2005年11月15日

ISSN: 0379-6779

DOI
Complexes of tantalum with triaryloxides: Ligand and solvent effects on formation of hydride derivatives

Kawaguchi, H; Matsuo, T

JOURNAL OF ORGANOMETALLIC CHEMISTRY 690 ( 23 ) 5333 - 5345 2005年11月15日

ISSN: 0022-328X

DOI
Synthesis of the pivalamidate-bridged pentanuclear platinum(II,III) linear complexes with Pt•••Pt interactions

Matsumoto, K; Arai, S; Ochiai, M; Chen, WZ; Nakata, A; Nakai, H; Kinoshita, S

INORGANIC CHEMISTRY 44 ( 23 ) 8552 - 8560 2005年11月14日

ISSN: 0020-1669

DOI
Electronic structure of semiconducting nanotubes adsorbed on metal surfaces

Okada, S; Oshiyama, A

PHYSICAL REVIEW LETTERS 95 ( 20 ) 2005年11月11日

ISSN: 0031-9007

DOI
Characterization of strained Si wafer surface by density functional theory analysis

Sakata, K; Homma, T; Nakai, H; Osaka, T

ELECTROCHIMICA ACTA 51 ( 5 ) 1000 - 1003 2005年11月10日

ISSN: 0013-4686

DOI
Density functional theory study on the oxidation mechanisms of aldehydes as reductants for electroless Cu deposition process

Shimada, T; Sakata, K; Homma, T; Nakai, H; Osaka, T

ELECTROCHIMICA ACTA 51 ( 5 ) 906 - 915 2005年11月10日

ISSN: 0013-4686

DOI
Excited state property of hardly photodissociable heme-CO adduct studied by time-dependent density functional theory

Ohta, T; Pal, B; Kitagawa, T

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 44 ) 21110 - 21117 2005年11月10日

ISSN: 1520-6106

DOI
FT-IR approaches on amyloid fibril structure

Hiramatsu, H; Kitagawa, T

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS 1753 ( 1 ) 100 - 107 2005年11月10日

ISSN: 1570-9639

DOI
Synthesis and characterization of three novel perfluoro-oligothiophenes ranging in length from the trimer to the pentamer

Osuna, RM; Ortiz, RP; Delgado, MCR; Sakamoto, Y; Suzuki, T; Hernández, V; Navarrete, JTL

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 44 ) 20737 - 20745 2005年11月10日

ISSN: 1520-6106

DOI
Water molecules in a protein cavity detected by a statistical-mechanical theory

Imai, T; Hiraoka, R; Kovalenko, A; Hirata, F

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 44 ) 15334 - 15335 2005年11月09日

ISSN: 0002-7863

DOI
Phase-space reaction network on a multisaddle energy landscape: HCN isomerization

Li, CB; Matsunaga, Y; Toda, M; Komatsuzaki, T

JOURNAL OF CHEMICAL PHYSICS 123 ( 18 ) 2005年11月08日

ISSN: 0021-9606

DOI
Structural characterization of ruthenium-dioxolene complexes with RuII-SQ and RuII-cat frameworks

Fujihara, T; Okamura, R; Tanaka, K

CHEMISTRY LETTERS 34 ( 11 ) 1562 - 1563 2005年11月05日

ISSN: 0366-7022

DOI
O2- and H2O2-dependent verdoheme degradation by heme oxygenase -: Reaction mechanisms and potential physiological roles of the dual pathway degradation

Matsui, T; Nakajima, A; Fujii, H; Matera, KM; Migita, CT; Yoshida, T; Ikeda-Saito, M

JOURNAL OF BIOLOGICAL CHEMISTRY 280 ( 44 ) 36833 - 36840 2005年11月04日

DOI
Common semiopen conformations of Mg2+-free Ras, Rho, Rab, Arf, and Ran proteins combined with GDP and their similarity with GEF-bound forms

Mori, K; Hata, M; Neya, S; Hoshino, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 43 ) 15127 - 15137 2005年11月02日

ISSN: 0002-7863

DOI
n-Type organic field-effect transistors with very high electron mobility based on thiazole oligomers with trifluoromethylphenyl groups

Ando, S; Murakami, R; Nishida, J; Tada, H; Inoue, Y; Tokito, S; Yamashita, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 43 ) 14996 - 14997 2005年11月02日

ISSN: 0002-7863

DOI
High-energy quasi-phase-matched optical parametric oscillation in a periodically poled MgO:LiNbO3 device with a 5 mm X 5 mm aperture

Ishizuki, H; Taira, T

OPTICS LETTERS 30 ( 21 ) 2918 - 2920 2005年11月01日

ISSN: 0146-9592

DOI
Quantitative determination of protein nuclear transport induced by phosphorylation or by proteolysis

Kim, SB; Takao, R; Ozawa, T; Umezawa, Y

ANALYTICAL CHEMISTRY 77 ( 21 ) 6928 - 6934 2005年11月01日

ISSN: 0003-2700

DOI
Rational synthesis and X-ray structural study of manganese-pyridine-alcohol derivatives

Onaka, S; Hong, L; Ito, M; Sunaharay, T; Imai, H; Inoue, K

JOURNAL OF COORDINATION CHEMISTRY 58 ( 17 ) 1523 - 1530 2005年11月01日

ISSN: 0095-8972

DOI
Analysis of interactions between green fluorescent protein and silicon substrates using molecular dynamics simulations

Nishiyama, K; Watanabe, T; Hoshino, T; Ohdomari, I

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 11 ) 8210 - 8215 2005年11月

ISSN: 0021-4922

DOI
Ce3+-doped LiCaAlF6 crystals as a solid-state ultraviolet saturable absorber and role of excited state absorption

Hai, LH; Hung, ND; Quema, AV; Diwa, GA; Murakami, H; Ono, S; Sarukura, N

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 11 ) 7984 - 7986 2005年11月

ISSN: 0021-4922

DOI
Difference in self-assembling morphology of peptide nanorings

Okamoto, H; Yamada, T; Miyazaki, H; Nakanishi, T; Takeda, K; Usui, K; Obataya, I; Mihara, H; Azehar … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 11 ) 8240 - 8248 2005年11月

ISSN: 0021-4922

DOI
Direct observation of adsorption-induced electronic states by low-temperature scanning tunneling microscopy

Takada, M; Tada, H

ULTRAMICROSCOPY 105 ( 1-4 ) 22 - 25 2005年11月

ISSN: 0304-3991

DOI
Influence of the intermolecular interaction on photo-induced spin-transition of [Fe(R-pap)2]X

Hayami, S; Kawahara, T; Maeda, Y; Inoue, K; Sato, O

JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY 266 ( 3 ) 521 - 525 2005年11月

ISSN: 0236-5731

DOI
Magnetic-field-induced superconductivity and phase diagrams of λ-(BETS)2FeCl4-xBrx

Uji, S; Yasuzuka, S; Tokumoto, M; Tanaka, H; Kobayashi, A; Zhang, B; Kobayashi, H; Choi, ES; Graf, … 全著者表示

PHYSICAL REVIEW B 72 ( 18 ) 2005年11月

ISSN: 2469-9950

DOI
Pulsed endor-based quantum information processing

Rahimi, R; Sato, K; Furukawa, K; Toyota, K; Shiomi, D; Nakamura, T; Kitagawa, M; Takui, T

INTERNATIONAL JOURNAL OF QUANTUM INFORMATION 3 197 - 204 2005年11月

ISSN: 0219-7499

DOI
Reflectivity measurements of superionic conductors for Li ion secondary battery materials

Ishikawa, H; Hirano, T; Nagasaka, Y; Kawakami, K; Ohta, H; Nanba, T; Hirano, A; Kanno, R

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 66 ( 11 ) 2065 - 2067 2005年11月

ISSN: 0022-3697

DOI
Oxidizing intermediates from the sterically hindered iron salen complexes related to the oxygen activation by nonheme iron enzymes

Kurahashi, T; Kobayashi, Y; Nagatomo, S; Tosha, T; Kitagawa, T; Fujii, H

INORGANIC CHEMISTRY 44 ( 22 ) 8156 - 8166 2005年10月31日

ISSN: 0020-1669

DOI
Inner-shell photoelectron angular distributions from fixed-in-space OCS molecules: comparison between experiment and theory

Golovin, AV; Adachi, J; Motoki, S; Takahashi, M; Yagishita, A

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 38 ( 20 ) 3755 - 3764 2005年10月28日

ISSN: 0953-4075

DOI
Morphological and spectroscopic properties of thin films of self-assembling amphiphilic porphyrins on a hydrophilic surface as revealed by scanning near-field optical microscopy

Nagahara, T; Imura, K; Okamoto, H; Oguro, A; Imahori, H

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 42 ) 19839 - 19844 2005年10月27日

ISSN: 1520-6106

DOI
Positional control of encapsulated atoms inside a fullerene cage by exohedral addition

Yamada, M; Nakahodo, T; Wakahara, T; Tsuchiya, T; Maeda, Y; Akasaka, T; Kako, M; Yoza, K; Horn, E; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 42 ) 14570 - 14571 2005年10月26日

ISSN: 0002-7863

DOI
Direct alkenylation of arylamines at the ortho-position with magnesium alkylidene carbenoids and some theoretical studies of the reactions

Satoh, T; Ogino, Y; Ando, K

TETRAHEDRON 61 ( 43 ) 10262 - 10276 2005年10月24日

ISSN: 0040-4020

DOI
Size-dependent structures of NanIn-1+ cluster ions with a methanol adsorbate:: A combined study by photodissociation spectroscopy and density-functional theory calculation -: art. no. 161101

Misaizu, F; Tsuruta, M; Tsunoyama, H; Furuya, A; Ohno, K; Lintuluoto, M

JOURNAL OF CHEMICAL PHYSICS 123 ( 16 ) 2005年10月22日

ISSN: 0021-9606

DOI
Theoretical studies on magnetic circular dichroism by the finite perturbation method with relativistic corrections

Honda, Y; Hada, M; Ehara, M; Nakatsuji, H; Michl, J

JOURNAL OF CHEMICAL PHYSICS 123 ( 16 ) 2005年10月22日

ISSN: 0021-9606

DOI
Photochemical synthesis of pentacene and its derivatives

Yamada, H; Yamashita, Y; Kikuchi, M; Watanabe, H; Okujima, T; Uno, H; Ogawa, T; Ohara, K; Ono, N

CHEMISTRY-A EUROPEAN JOURNAL 11 ( 21 ) 6212 - 6220 2005年10月21日

ISSN: 0947-6539

DOI
The effect of deuteration on the transition into a charge ordered state of (TMTTF)2X salts

Nad, F; Monceau, P; Nakamura, T; Furukawa, K

JOURNAL OF PHYSICS-CONDENSED MATTER 17 ( 41 ) L399 - L406 2005年10月19日

ISSN: 0953-8984

DOI
Novel structural and magnetic properties of a 1-D iron(II)-manganese(II) LIESST compound bridged by cyanide

Hayami, S; Juhász, G; Maeda, Y; Yokoyama, T; Sato, O

INORGANIC CHEMISTRY 44 ( 21 ) 7289 - 7291 2005年10月17日

ISSN: 0020-1669

DOI
Spin-crossover cobalt(II) compound with banana-shaped structure

Hayami, S; Moriyama, R; Shigeyoshi, Y; Kawajiri, R; Mitani, T; Akita, M; Inoue, K; Maeda, Y

INORGANIC CHEMISTRY 44 ( 21 ) 7295 - 7297 2005年10月17日

ISSN: 0020-1669

DOI
Effects of peripheral substituents on diastereoselectivity of the fifth ligand-binding to chlorophylls, and nomenclature of the asymmetric axial coordination sites

Oba, T; Tamiaki, H

BIOORGANIC & MEDICINAL CHEMISTRY 13 ( 20 ) 5733 - 5739 2005年10月15日

ISSN: 0968-0896

DOI
Genetically encoded stress indicator for noninvasively imaging endogenous corticosterone in living mice

Kim, SB; Ozawa, T; Umezawa, Y

ANALYTICAL CHEMISTRY 77 ( 20 ) 6588 - 6593 2005年10月15日

ISSN: 0003-2700

DOI
Gold nanoparticles stabilized by tripod thioether oligomers: Synthesis and molecular dynamics studies

Hosokawa, Y; Maki, S; Nagata, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 78 ( 10 ) 1773 - 1782 2005年10月15日

ISSN: 0009-2673

DOI
Photoionization of small krypton clusters in the Kr 3d regime:: Evidence for site-specific photoemission -: art. no. 154304

Hatsui, T; Setoyama, H; Kosugi, N; Wassermann, B; Bradeanu, IL; Rühl, E

JOURNAL OF CHEMICAL PHYSICS 123 ( 15 ) 2005年10月15日

ISSN: 0021-9606

DOI
Effects of the fixed end in single-molecule imaging techniques: A replica-exchange molecular dynamics simulation study

Kawashima, Y; Sugita, Y; Yoda, T; Okamoto, Y

CHEMICAL PHYSICS LETTERS 414 ( 4-6 ) 449 - 455 2005年10月14日

ISSN: 0009-2614

DOI
Efficient production of metastable fragments around the Is ionization threshold in N2

Hikosaka, Y; Lablanquie, P; Shigemasa, E

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 38 ( 19 ) 3597 - 3605 2005年10月14日

ISSN: 0953-4075

DOI
Electronic structures of semiconducting double-walled carbon nanotubes: Important effect of interlay interaction

Song, W; Ni, M; Lu, J; Gao, ZX; Nagase, S; Yu, DP; Ye, HQ; Zhang, XW

CHEMICAL PHYSICS LETTERS 414 ( 4-6 ) 429 - 433 2005年10月14日

ISSN: 0009-2614

DOI
Sc3N@C80:: Computations on the two-isomer equilibrium at high temperatures

Slanina, Z; Nagase, S

CHEMPHYSCHEM 6 ( 10 ) 2060 - 2063 2005年10月14日

ISSN: 1439-4235

DOI
Time-domain calculations of the polarized Raman and two-dimensional infrared spectra of liquid N,N-dimethylformamide

Torii, H

CHEMICAL PHYSICS LETTERS 414 ( 4-6 ) 417 - 422 2005年10月14日

ISSN: 0009-2614

DOI
Structures of a peptide fragment Of β2-microglobulin studied by replica-exchange molecular dynamics simulations -: Towards the understanding of the mechanism of amyloid formation

Nishino, M; Sugita, Y; Yoda, T; Okamoto, Y

FEBS LETTERS 579 ( 24 ) 5425 - 5429 2005年10月10日

ISSN: 0014-5793

DOI
Incorporation of nonadiabatic transition into wave-packet dynamics

Mil'nikov, GV; Zou, SY; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 123 ( 14 ) 2005年10月08日

ISSN: 0021-9606

DOI
Encapsulations of La@C82 and La2@C80 inside single-walled boron nitride nanotubes

Song, W; Ni, M; Lu, J; Gao, ZX; Nagase, S; Yu, DP; Ye, HQ; Zhang, XW

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 730 ( 1-3 ) 121 - 124 2005年10月07日

ISSN: 0166-1280

DOI
Reversible bond formation and cleavage of the oxo bridge of [Ru2(μ-O)-(dioxolene)2(btpyxa)3+ [btpyxa=2,7-Di-tert-butyl-9,9-dimethyl-4,5bis(2,2′:6′,2"-terpyrid-4′-yl)xanthene] driven by a three-electron redox reaction

Wada, T; Tanaka, K

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 19 ) 3832 - 3839 2005年10月07日

ISSN: 1434-1948

DOI
Polarizable solute in polarizable and flexible solvents: Simulation study of electron transfer reaction systems

Ishida, T

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 39 ) 18558 - 18564 2005年10月06日

ISSN: 1520-6106

DOI
Generalization of the projection space improves the SAC-SD (symmetry-adapted cluster-singles and doubles) method in bond-breaking systems

Hasegawa, JY; Nakatsuji, H

CHEMISTRY LETTERS 34 ( 10 ) 1356 - 1357 2005年10月05日

ISSN: 0366-7022

DOI
Large-scale synthesis of thiolated Au25 clusters via ligand exchange reactions of phosphine-stabilized Au11 clusters

Shichibu, Y; Negishi, Y; Tsukuda, T; Teranishi, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 39 ) 13464 - 13465 2005年10月05日

ISSN: 0002-7863

DOI
Theoretical study of volume changes associated with the helix-coil transition of an alanine-rich peptide in aqueous solution

Imai, T; Takahiro, T; Kovalenko, A; Hirata, F; Kato, M; Taniguchi, Y

BIOPOLYMERS 79 ( 2 ) 97 - 105 2005年10月05日

ISSN: 0006-3525

DOI
1.34-μm efficient laser emission in highly-doped Nd:YAG under 885-nm diode pumping

Pavel, N; Lupei, V; Taira, T

OPTICS EXPRESS 13 ( 20 ) 7948 - 7953 2005年10月03日

ISSN: 1094-4087

DOI
Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study

Fujimoto, K; Hasegawa, JY; Hayashi, S; Kato, S; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 414 ( 1-3 ) 239 - 242 2005年10月03日

ISSN: 0009-2614

DOI
Molecular dynamics simulation of the M intermediate of photoactive yellow protein in the crystalline state

Arai, S; Togashi, M; Shiozawa, M; Inoue, Y; Sakurai, M

CHEMICAL PHYSICS LETTERS 414 ( 1-3 ) 230 - 233 2005年10月03日

ISSN: 0009-2614

DOI
Synthesis, structures and electrochemical properties of ruthenium (II) complexes bearing bidentate 1,8-naphthyridine and terpyridine analogous (N,N,C)-tridentate ligands

Koizumi, TA; Tomon, T; Tanaka, K

JOURNAL OF ORGANOMETALLIC CHEMISTRY 690 ( 19 ) 4272 - 4279 2005年10月01日

ISSN: 0022-328X

DOI
Band-structure design of fluoride complex materials for deep-ultraviolet light-emitting diodes

Ono, S; El Ouenzerfi, R; Quema, A; Murakami, H; Sarukura, N; Nishimatsu, T; Terakubo, N; Mizuseki, … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 10 ) 7285 - 7290 2005年10月

ISSN: 0021-4922

DOI
Development of novel solid-phase polymeric catalysts for organic syntheses

Yamada, YMA

YAKUGAKU ZASSHI-JOURNAL OF THE PHARMACEUTICAL SOCIETY OF JAPAN 125 ( 10 ) 749 - 770 2005年10月

ISSN: 0031-6903

DOI
Energetics and electronic structures of potassium-intercalated C60 peapods -: art. no. 153409

Okada, S

PHYSICAL REVIEW B 72 ( 15 ) 2005年10月

ISSN: 1098-0121

DOI
IR study on stacking manner of peptide nanorings in peptide nanotubes

Nagai, Y; Nakanishi, T; Okamoto, H; Takeda, K; Furukawa, Y; Usui, K; Mihara, H

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 10 ) 7654 - 7661 2005年10月

ISSN: 0021-4922

DOI
Magneto striction observed by X-ray diffraction in iron

Arakawa, E; Maruyama, K; Mori, K; Nishigaitsu, H; Aizawa, N

IEEE TRANSACTIONS ON MAGNETICS 41 ( 10 ) 3718 - 3720 2005年10月

ISSN: 0018-9464

DOI
Photoinduced metallic properties of one-dimensional strongly correlated electron systems

Maeshima, N; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 ( 10 ) 2671 - 2674 2005年10月

ISSN: 0031-9015

DOI
Semiclassical guided optimal control of molecular dynamics

Kondorskiy, A; Mil'nikov, G; Nakamura, H

PHYSICAL REVIEW A 72 ( 4 ) 2005年10月

ISSN: 1050-2947

DOI
Theoretical investigation of oxygen diffusion in compressively strained high-density α-quartz

Akiyama, T; Kageshima, H; Uematsu, M; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 10 ) 7427 - 7429 2005年10月

ISSN: 0021-4922

DOI
Electron transfer dynamics from organic adsorbate to a semiconductor surface:: Zinc phthalocyanine on TiO2(110)

Ino, D; Watanabe, K; Takagi, N; Matsumoto, Y

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 38 ) 18018 - 18024 2005年09月29日

ISSN: 1520-6106

DOI
Electron transfer rate in the Marcus inverted regime beyond the perturbation theory

Zhao, Y; Mil'nikov, G

CHEMICAL PHYSICS LETTERS 413 ( 4-6 ) 362 - 366 2005年09月26日

ISSN: 0009-2614

DOI
A proposal of spin- and charge-modulated open-shell nonlinear optical systems

Nakano, M; Champagne, B; Botek, E; Kishi, R; Nitta, T; Yamaguchi, K

SYNTHETIC METALS 154 ( 1-3 ) 309 - 312 2005年09月22日

ISSN: 0379-6779

DOI
A quantum chemical study of magnetic interactions in phenazine derivatives for chemical or photo-induced organic magnets

Taniguchi, T; Watazu, Y; Shoji, M; Kawakami, T; Okumura, M; Yamaguchi, K

SYNTHETIC METALS 154 ( 1-3 ) 321 - 324 2005年09月22日

ISSN: 0379-6779

DOI
A study of molecular vibrational relaxation mechanism in condensed phase based upon mixed quantum-classical molecular dynamics. I. A test of IBC model for the relaxation of a nonpolar solute in nonpolar solvent at high density

Sato, M; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 123 ( 12 ) 2005年09月22日

ISSN: 0021-9606

DOI
A study of molecular vibrational relaxation mechanism in condensed phase based upon mixed quantum-classical molecular dynamics. II. Noncollisional mechanism for the relaxation of a polar solute in supercritical water

Sato, M; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 123 ( 12 ) 2005年09月22日

ISSN: 0021-9606

DOI
Ab initio integrated multi-center molecular orbitals method for large cluster systems: Total energy and normal vibration

Sakai, S; Morita, S

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 37 ) 8424 - 8429 2005年09月22日

ISSN: 1089-5639

DOI
Inter-chain Coulomb-lattice relaxation and multicriticality in charge transfer organic complexes

Kishine, J; Ohara, T; Luty, T; Yonemitsu, K

SYNTHETIC METALS 154 ( 1-3 ) 257 - 260 2005年09月22日

ISSN: 0379-6779

DOI
Nuclear spin-lattice relaxation in κ-(BETS)2FeBr4

Fujiyama, S; Takigawa, M; Kikuchi, J; Kodama, K; Nakamura, T; Fujiwara, E; Fujiwara, H; Cui, HB; Ko … 全著者表示

SYNTHETIC METALS 154 ( 1-3 ) 253 - 256 2005年09月22日

ISSN: 0379-6779

DOI
Production of methyl-oxonium ion and its complexes in the core-excited (HC(O)OCH3)n clusters:: H/H+ transfer from the α carbonyl -: art. no. 124309

Tada, S; Harada, C; Yoshida, H; Wada, S; Hiraya, A; Tanaka, K; Tabayashi, K

JOURNAL OF CHEMICAL PHYSICS 123 ( 12 ) 2005年09月22日

ISSN: 0021-9606

DOI
Theoretical studies of magnetic interaction in π-radical thiol and Gold hybrid systems

Okumura, M; Kitagawa, Y; Kawakami, T; Taniguchi, T; Yamaguchi, K

SYNTHETIC METALS 154 ( 1-3 ) 313 - 316 2005年09月22日

ISSN: 0379-6779

DOI
Theoretical studies on magnetic interaction in one-dimensional CunBrm (S=1/2) chains

Kawakami, T; Taniguchi, T; Kitagawa, Y; Matsumoto, T; Kamada, Y; Sugimoto, T; Okumura, M; Yamaguchi … 全著者表示

SYNTHETIC METALS 154 ( 1-3 ) 317 - 320 2005年09月22日

ISSN: 0379-6779

DOI
Theoretical study on two-photon absorption for symmetric molecular systems composed of charged groups linked with π-conjugated bridge

Kishi, R; Nakano, M; Yamada, S; Kamada, K; Ohta, K; Nitta, T; Yamaguchi, K

SYNTHETIC METALS 154 ( 1-3 ) 181 - 184 2005年09月22日

ISSN: 0379-6779

DOI
EMR measurements of field-induced superconductor λ-(BETS)2FexGa1-xCl4

Oshima, Y; Jobiliong, E; Brooks, JS; Zvyagin, SA; Krzystek, J; Tanaka, H; Kobayashi, A; Cui, H; Kob … 全著者表示

SYNTHETIC METALS 153 ( 1-3 ) 365 - 368 2005年09月21日

ISSN: 0379-6779

DOI
Non-linear transport in the incommensurate SDW phase of (TMTTF)2Br under pressure

Nomura, K; Ishimura, K; Matsunaga, N; Nakamura, T; Takahashi, T; Saito, G

SYNTHETIC METALS 153 ( 1-3 ) 433 - 436 2005年09月21日

ISSN: 0379-6779

DOI
Synthesis and properties of TTF oligomers possessing electron-withdrawing groups in the spacer

Matsumoto, S; Matsuda, W; Fueno, H; Misaki, Y; Tanaka, K

SYNTHETIC METALS 153 ( 1-3 ) 429 - 432 2005年09月21日

ISSN: 0379-6779

DOI
TTF derivatives containing fused-pyrazine rings for novel donor-acceptor systems

Naraso; Nishida, J; Tomura, M; Yamashita, Y

SYNTHETIC METALS 153 ( 1-3 ) 389 - 392 2005年09月21日

ISSN: 0379-6779

DOI
A new optical doping method toward molecular electronics

Naito, T; Inabe, T; Niimi, H; Asakura, K

SYNTHETIC METALS 152 ( 1-3 ) 289 - 292 2005年09月20日

ISSN: 0379-6779

DOI
Electronic structure of metallofullerene, Tm@C82(II)

Hino, S; Wanita, N; Iwasaki, K; Yoshimura, D; Ozawa, N; Kodama, T; Sakaguchi, K; Nishikawa, H; Ikem … 全著者表示

SYNTHETIC METALS 152 ( 1-3 ) 357 - 360 2005年09月20日

ISSN: 0379-6779

DOI
Fine structure of the highest occupied band in OTi-phthalocyanine monolayer

Yamane, H; Fukagawa, H; Honda, H; Kera, S; Okudaira, KK; Ueno, N

SYNTHETIC METALS 152 ( 1-3 ) 297 - 300 2005年09月20日

ISSN: 0379-6779

DOI
Optical studies of shear stress effect on organic thin films

Inokuchi, M; Nagaoka, A; Yamamoto, M; Shirotani, I; Hayashi, J; Yakushi, K; Kawamura, H; Inokuchi, H

SYNTHETIC METALS 152 ( 1-3 ) 421 - 424 2005年09月20日

ISSN: 0379-6779

DOI
Substrate dependent anisotropic diffusion of indium atoms on Ptcda thin films studied by Peem

Shionoiri, M; Yamamoto, I; Onoue, M; Kera, S; Okudaira, KK; Ueno, N

SYNTHETIC METALS 152 ( 1-3 ) 301 - 304 2005年09月20日

ISSN: 0379-6779

DOI
Structural determination of metallofuIlerene SC3C82 revisited:: A surprising finding

Iiduka, Y; Wakahara, T; Nakahodo, T; Tsuchiya, T; Sakuraba, A; Maeda, Y; Akasaka, T; Yoza, K; Horn, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 36 ) 12500 - 12501 2005年09月14日

ISSN: 0002-7863

DOI
The interaction of neutral and charged Au clusters with O2, CO and H2

Okumura, M; Kitagawa, Y; Haruta, M; Yamaguchi, K

APPLIED CATALYSIS A-GENERAL 291 ( 1-2 ) 37 - 44 2005年09月12日

ISSN: 0926-860X

DOI
Theoretical study of M(PH3)2 complexes of C60, corannulene (C20H10), and sumanene (C2H12) (M = Pd or Pt).: Unexpectedly large binding energy of M(PH3)2(C60)

Kameno, Y; Ikeda, A; Nakao, Y; Sato, H; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 35 ) 8055 - 8063 2005年09月08日

ISSN: 1089-5639

DOI
NCN pincer palladium complexes: Their preparation via a ligand introduction route and their catalytic properties

Takenaka, K; Minakawa, M; Uozumi, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 35 ) 12273 - 12281 2005年09月07日

ISSN: 0002-7863

DOI
Reversible and regioselective reaction of La@C82 with cyclopentadiene

Maeda, Y; Miyashita, J; Hasegawa, T; Wakahara, T; Tsuchiya, T; Nakahodo, T; Akasaka, T; Mizorogi, N … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 35 ) 12190 - 12191 2005年09月07日

ISSN: 0002-7863

DOI
Dioxo-molybdenum(VI) and mono-oxo-molybdenum(IV) complexes supported by new aliphatic dithiolene ligands: New models with weakened Mo=O bond characters for the arsenite oxidase active site

Sugimoto, H; Harihara, M; Shiro, M; Sugimoto, K; Tanaka, K; Miyake, H; Tsukube, H

INORGANIC CHEMISTRY 44 ( 18 ) 6386 - 6392 2005年09月05日

ISSN: 0020-1669

DOI
Excited states and electron-transfer mechanism in the photosynthetic reaction center of Rhodobactor sphaeroides:: SAC-CI theoretical study

Hasegawa, JY; Nakatsuji, H

CHEMISTRY LETTERS 34 ( 9 ) 1242 - 1243 2005年09月05日

ISSN: 0366-7022

DOI
H atom-induced oxidation reaction on water-terminated Si surface, 2H+H2O/Si(100)-(2x1):: A theoretical study

Watanabe, H; Wang, ZH; Nanbu, S; Maki, J; Urisu, T; Aoyagi, M; Ooi, K

CHEMICAL PHYSICS LETTERS 412 ( 4-6 ) 347 - 352 2005年09月05日

ISSN: 0009-2614

DOI
Molecular conductors based on peri-ditellurium-bridged donors, 2,3-DMTTeA and TMTTeN

Fujiwara, E; Fujiwara, H; Narymbetov, BZ; Kobayashi, H; Nakata, M; Torii, H; Kobayashi, A; Takimiya … 全著者表示

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 17 ) 3435 - 3449 2005年09月05日

ISSN: 1434-1948

DOI
Replica-exchange molecular dynamics simulation of small peptide in water and in ethanol

Yoshida, K; Yamaguchi, T; Okamoto, Y

CHEMICAL PHYSICS LETTERS 412 ( 4-6 ) 280 - 284 2005年09月05日

ISSN: 0009-2614

DOI
Syntheses, structures, and luminescent and magnetic properties of novel three-dimensional lanthanide complexes with 1,3,5-benzenetriacetate

Zhang, ZH; Okamura, T; Hasegawa, Y; Kawaguchi, H; Kong, LY; Sun, WY; Ueyama, N

INORGANIC CHEMISTRY 44 ( 18 ) 6219 - 6227 2005年09月05日

ISSN: 0020-1669

DOI
The light-induced excited spin state trapping effect on Ni(dMit)2 salt with an Fe(III) spin-crossover cation:: [Fe(qsal)2][Ni(dmit)2]•2CH3CN

Takahashi, K; Cui, HB; Kobayashi, H; Einaga, Y; Sato, O

CHEMISTRY LETTERS 34 ( 9 ) 1240 - 1241 2005年09月05日

ISSN: 0366-7022

DOI
Structural study of thin films of neutral and potassium-doped oligophenylenes on Cu(100)

Hosoi, Y; Koch, N; Sakurai, Y; Ishii, H; Kampen, TU; Salvan, G; Zahn, DRT; Leising, G; Ouchi, Y; Se … 全著者表示

SURFACE SCIENCE 589 ( 1-3 ) 19 - 31 2005年09月01日

ISSN: 0039-6028

DOI
Time-domain theoretical analysis of the noncoincidence effect, diagonal frequency shift, and the extent of delocalization of the C=O stretching mode of acetone/dimethyl sulfoxide binary liquid mixtures

Torii, H; Musso, M; Giorgini, MG

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 34 ) 7797 - 7804 2005年09月01日

ISSN: 1089-5639

DOI
(e,2e) and (e,3-1e) studies on double processes of He at large momentum transfer

Watanabe, N; Khajuria, Y; Takahashi, M; Udagawa, Y; Vinitsky, PS; Popov, YV; Chuluunbaatar, O; Kouz … 全著者表示

PHYSICAL REVIEW A 72 ( 3 ) 2005年09月

ISSN: 2469-9926

DOI
Diaquabis[1,4-bis(1-imidazolyl)benzene]trinitratolanthanum(III) 1,4-bis(1-imidazolyl)benzene hemisolvate monohydrate

Sun, WY; Zhang, ZH; Zhong, JM; Kawaguchi, H

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 61 M1876 - M1877 2005年09月

ISSN: 2056-9890

DOI
Double-metal-ion/single-metal-ion mechanisms of the cleavage reaction of ribozymes: First-principles molecular dynamics simulations of a fully hydrated model system

Boero, M; Tateno, M; Terakura, K; Oshiyama, A

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1 ( 5 ) 925 - 934 2005年09月

ISSN: 1549-9618

DOI
Electronic states and local structures of the photomagnetic Cu-Mo cyanides Cu2Mo(CN)8•8H2O and Cs0.5Cu1.75Mo(CN)8•1.5H2O studied by x-ray absorption fine structure spectroscopy -: art. no. 094107

Ma, XD; Yokoyama, T; Hozumi, T; Hashimoto, K; Ohkoshi, S

PHYSICAL REVIEW B 72 ( 9 ) 2005年09月

ISSN: 2469-9950

DOI
Fermi surface reconstruction in the magnetic-field-induced superconductor κ-(BETS)2FeBr4 -: art. no. 094517

Konoike, T; Uji, S; Terashima, T; Nishimura, M; Yasuzuka, S; Enomoto, K; Fujiwara, H; Fujiwara, E; … 全著者表示

PHYSICAL REVIEW B 72 ( 9 ) 2005年09月

ISSN: 1098-0121

DOI
Infrared and Raman studies of θ-(BEDT-TTF)2CsZn(SCN)4:: Comparison with the frozen state of θ-(BEDT-TTF)2RbZn(SCN)4

Suzuki, K; Yamamoto, K; Yakushi, K; Kawamoto, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 ( 9 ) 2631 - 2639 2005年09月

ISSN: 0031-9015

DOI
Magnetic levitation of plastic chips: Applications for magnetic susceptibility measurement and magnetic separation

Tanimoto, Y; Fujiwara, M; Sueda, M; Inoue, K; Akita, M

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 9A ) 6801 - 6803 2005年09月

ISSN: 0021-4922

DOI
Mechanism of ambipolar field-effect carrier injections in one-dimensional Mott insulators

Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 ( 9 ) 2544 - 2553 2005年09月

ISSN: 0031-9015

DOI
Synchrotron radiation induced Si-H dissociation on H-Si(111)-1 X 1 surfaces studied by in situ monitoring in the undulator-scanning tunneling microscope system

Nonogaki, Y; Urisu, T

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 23 ( 5 ) 1364 - 1366 2005年09月

ISSN: 0734-2101

DOI
Terahertz time-domain spectroscopy of amino acids and polypeptides

Yamamoto, K; Tominaga, K; Sasakawa, H; Tamura, A; Murakami, H; Ohtake, H; Sarukura, N

BIOPHYSICAL JOURNAL 89 ( 3 ) L22 - L24 2005年09月

ISSN: 0006-3495

DOI
Titanium and zirconium complexes of preorganized tripodal triaryloxide ligands

Akagi, F; Matsuo, T; Kawaguchi, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 34 ) 11936 - 11937 2005年08月31日

ISSN: 0002-7863

DOI
Investigation on lithium de-intercalation mechanism for Li1-yNi1/3Mn1/3Co1/3O2

Kobayashi, H; Arachi, Y; Emura, S; Kageyama, H; Tatsumi, K; Kamiyama, T

JOURNAL OF POWER SOURCES 146 ( 1-2 ) 640 - 644 2005年08月26日

ISSN: 0378-7753

DOI
A theoretical study on the substrate deacylation mechanism of class C β-lactamase

Hata, M; Tanaka, Y; Fujii, Y; Neya, S; Hoshino, T

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 33 ) 16153 - 16160 2005年08月25日

ISSN: 1520-6106

DOI
Imaging and dispersion relations of surface plasmon modes in silver nanorods by near-field spectroscopy

Lim, JK; Imura, K; Nagahara, T; Kim, SK; Okamoto, H

CHEMICAL PHYSICS LETTERS 412 ( 1-3 ) 41 - 45 2005年08月25日

ISSN: 0009-2614

DOI
Examination of the charge-sensitive vibrational modes in bis(ethylenedithio)tetrathiafulvalene

Yamamoto, T; Uruichi, M; Yamamoto, K; Yakushi, K; Kawamoto, A; Taniguchi, H

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 32 ) 15226 - 15235 2005年08月18日

ISSN: 1520-6106

DOI
Theoretical study on the photochemical behavior of 4-(dimethylamino)benzonitrile

Amatatsu, Y

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 32 ) 7225 - 7235 2005年08月18日

ISSN: 1089-5639

DOI
Tetrathiafulvalene [FeIII(C2O4)Cl2]:: An organic-inorganic hybrid exhibiting canted antiferromagnetism

Zhang, B; Wang, ZM; Fujiwara, H; Kobayashi, H; Kurmoo, M; Inoue, K; Mori, T; Gao, S; Zhang, Y; Zhu, … 全著者表示

ADVANCED MATERIALS 17 ( 16 ) 1988 - + 2005年08月16日

ISSN: 0935-9648

DOI
Coupled-cluster method tailored by configuration interaction

Kinoshita, T; Hino, O; Bartlett, RJ

JOURNAL OF CHEMICAL PHYSICS 123 ( 7 ) 2005年08月15日

ISSN: 0021-9606

DOI
Ground-state and vibrationally assisted tunneling in the formic acid dimer -: art. no. 074308

Mil'nikov, GV; Kühn, O; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 123 ( 7 ) 2005年08月15日

ISSN: 0021-9606

DOI
Reexamination of the structures and energies of Li2C2 and Li4C4

Lee, SY; Boo, BH; Kang, HK; Kang, D; Judai, K; Nishijo, J; Nishi, N

CHEMICAL PHYSICS LETTERS 411 ( 4-6 ) 484 - 491 2005年08月15日

ISSN: 0009-2614

DOI
SAC-Cl theoretical investigation on electronic structure of fluorene-thiophene oligomers

Poolmee, P; Ehara, M; Hannongbua, S; Nakatsuji, H

POLYMER 46 ( 17 ) 6474 - 6481 2005年08月08日

ISSN: 0032-3861

DOI
Computed structure and energetics of La@C60

Slanina, Z; Lee, SL; Adamowicz, L; Uhlík, F; Nagase, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 104 ( 2 ) 272 - 277 2005年08月05日

ISSN: 0020-7608

DOI
Macrocyclic and acyclic bis(2,5-diphenyl-1,3,4-oxadiazole)s with electron-transporting and hole-blocking ability in organic electroluminescent devices

Ono, K; Ezaka, S; Higashibata, A; Hosokawa, R; Ohkita, M; Saito, K; Suto, M; Tomura, M; Matsushita, … 全著者表示

MACROMOLECULAR CHEMISTRY AND PHYSICS 206 ( 15 ) 1576 - 1582 2005年08月05日

ISSN: 1022-1352

DOI
Single-component molecular conductor [Zn(tmdt)2] and related Zn complexes

Yamamoto, K; Fujiwara, E; Kobayashi, A; Fujishiro, Y; Nishibori, E; Sakata, M; Takata, M; Tanaka, H … 全著者表示

CHEMISTRY LETTERS 34 ( 8 ) 1090 - 1091 2005年08月05日

ISSN: 0366-7022

DOI
Synthesis and crystal structures of [W(3,6-dichloro-1,2-benzenedithiolate)3]n=1, 2) and [Mo(3,6-dichloro-1,2-benzenedithiolate)3]2- :: Dependence of the coordination geometry on the oxidation number and counter-cation in trigonal-prismatic and octahedral structures

Sugimoto, H; Furukawa, Y; Tarumizu, M; Miyake, H; Tanaka, K; Tsukube, H

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 15 ) 3088 - 3092 2005年08月05日

ISSN: 1434-1948

DOI
The importance of lone pair electron delocalization in the cis-trans isomers of 1,2-dibromoethenes

Yamamoto, T; Kaneno, D; Tomoda, S

CHEMISTRY LETTERS 34 ( 8 ) 1190 - 1191 2005年08月05日

ISSN: 0366-7022

DOI
In situ observation of CO oxidation on Ag(110)(2x1)-O by scanning tunneling microscopy: Structural fluctuation and catalytic activity

Nakagoe, O; Watanabe, K; Takagi, N; Matsumoto, Y

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 30 ) 14536 - 14543 2005年08月04日

ISSN: 1520-6106

DOI
Reply to "Comment on 'Mass accommodation ccefficient of water: Molecular dynamics simulation and revised analysis of droplet train/flow reactor experiment"'

Morita, A; Sugiyama, M; Koda, S; Hanson, DR

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 30 ) 14747 - 14749 2005年08月04日

ISSN: 1520-6106

DOI
Theoretical study of silyl-bridged dinuclear palladium(I) and platinum(I) complexes, M2 (μ-η2-H•••SiH2)2(PH3)2 (M = Pd or Pt).: New insight into the bonding nature

Nakajima, S; Sumimoto, M; Nakao, Y; Sato, H; Sakaki, S; Osakada, K

ORGANOMETALLICS 24 ( 16 ) 4029 - 4038 2005年08月01日

ISSN: 0276-7333

DOI
EXAFS study on dynamic structural property of porous morph-genetic SiC

Ding, J; Sun, BH; Fan, TX; Zhang, D; Kamada, M; Ogawa, H; Guo, QX

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 238 ( 1-4 ) 138 - 140 2005年08月

ISSN: 0168-583X

DOI
Mechanism for transduction of the ligand-binding signal in heme-based gas sensory proteins revealed by resonance Raman spectroscopy

Uchida, T; Kitagawa, T

ACCOUNTS OF CHEMICAL RESEARCH 38 ( 8 ) 662 - 670 2005年08月

ISSN: 0001-4842

DOI
Metal-insulator transition in PrRu4P12 and SmRu4P12 investigated by optical spectroscopy -: art. no. 073105

Matsunami, M; Chen, L; Takimoto, M; Okamura, H; Nanba, T; Sekine, C; Shirotani, I

PHYSICAL REVIEW B 72 ( 7 ) 2005年08月

ISSN: 2469-9950

DOI
Nanoscale structures formed in silicon cleavage studied with large-scale electronic structure calculations: Surface reconstruction, steps, and bending

Hoshi, T; Iguchi, Y; Fujiwara, T

PHYSICAL REVIEW B 72 ( 7 ) 2005年08月

ISSN: 2469-9950

DOI
Optical investigations of the clathrate α-Eu8Ga16Ge30

Sichelschmidt, J; Voevodin, V; Pacheco, V; Grin, Y; Steglich, F; Nishi, T; Kimura, S

EUROPEAN PHYSICAL JOURNAL B 46 ( 3 ) 363 - 366 2005年08月

ISSN: 1434-6028

DOI
Quaternary structures of intermediately ligated human hemoglobin A and influences from strong allosteric effectors: Resonance Raman investigation

Nagatomo, S; Nagai, M; Mizutani, Y; Yonetani, T; Kitagawa, T

BIOPHYSICAL JOURNAL 89 ( 2 ) 1203 - 1213 2005年08月

ISSN: 0006-3495

DOI
Thermal transport of organic molecular crystals (DMe-DCNQI)2Li(1-x)Cux and observation of their super-lattice structure by means of synchrotron radiation X-ray

Torizuka, K; Tajima, H; Kawamura, Y; Sawa, H; Yamamoto, T

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 66 ( 8-9 ) 1575 - 1578 2005年08月

ISSN: 0022-3697

DOI
XANES and ELNES in ceramic science

Tanaka, I; Mizoguchi, T; Yamamoto, T

JOURNAL OF THE AMERICAN CERAMIC SOCIETY 88 ( 8 ) 2013 - 2029 2005年08月

ISSN: 0002-7820

DOI
High-performance organic field-effect transistors based on π-extended tetrathiafulvalene derivatives

Naraso; Nishida, JI; Ando, S; Yamaguchi, J; Itaka, K; Koinuma, H; Tada, H; Tokito, S; Yamashita, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 29 ) 10142 - 10143 2005年07月27日

ISSN: 0002-7863

DOI
Large-scale separation of metallic and semiconducting single-walled carbon nanotubes

Maeda, Y; Kimura, S; Kanda, M; Hirashima, Y; Hasegawa, T; Wakahara, T; Lian, YF; Nakahodo, T; Tsuch … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 29 ) 10287 - 10290 2005年07月27日

ISSN: 0002-7863

DOI
Quasirelativistic theory for the magnetic shielding constant. III. Quasirelativistic second-order Moller-Plesset perturbation theory and its application to tellurium compounds - art. no. 044101

Fukuda, R; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 123 ( 4 ) 2005年07月22日

ISSN: 0021-9606

DOI
Chemical reactivity of Sc3N@C80 and La2@C80

Iiduka, Y; Ikenaga, O; Sakuraba, A; Wakahara, T; Tsuchiya, T; Maeda, Y; Nakahodo, T; Akasaka, T; Ka … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 28 ) 9956 - 9957 2005年07月20日

ISSN: 0002-7863

DOI
Stabilization of vinylidene-type and acetylene-type Si2H2 species by coordination with rhodium(I) and platinum(0) complexes.: Theoretical proposals

Kuramoto, Y; Sawai, N; Fujiwara, Y; Sumimoto, M; Nakao, Y; Sato, H; Sakaki, S

ORGANOMETALLICS 24 ( 15 ) 3655 - 3663 2005年07月18日

ISSN: 0276-7333

DOI
Development of an antiferromagnetic organic superconductor κ-(BETS)2FeBr4

Fujiwara, H; Kobayashi, H

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 78 ( 7 ) 1181 - 1196 2005年07月15日

ISSN: 0009-2673

DOI
Hybrid approach for ab initio molecular dynamics simulation combining energy density analysis and short-time Fourier transform:: Energy transfer spectrogram -: art. no. 034101

Yamauchi, Y; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 123 ( 3 ) 2005年07月15日

ISSN: 0021-9606

DOI
Near-field two-photon-induced photoluminescence from single gold nanorods and imaging of plasmon modes

Imura, K; Nagahara, T; Okamoto, H

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 27 ) 13214 - 13220 2005年07月14日

ISSN: 1520-6106

DOI
Missing metallofullerene La@C74

Nikawa, H; Kikuchi, T; Wakahara, T; Nakahodo, T; Tsuchiya, T; Rahman, GMA; Akasaka, T; Maeda, Y; Yo … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 27 ) 9684 - 9685 2005年07月13日

ISSN: 0002-7863

DOI
Structural evolution of [2+1] cycloaddition derivatives of single-wall carbon nanotubes: From open structure to closed three-membered ring structure with increasing tube diameter

Lu, J; Nagase, S; Zhang, XW; Maeda, Y; Wakahara, T; Nakahodo, T; Tsuchiya, T; Akasaka, T; Yu, DP; G … 全著者表示

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 725 ( 1-3 ) 255 - 257 2005年07月11日

ISSN: 0166-1280

DOI
Adsorption reaction of polar organic molecules on Si+n cluster ions

Nakagawara, W; Tsunoyama, H; Furuya, A; Misaizu, F; Ohno, K

INTERNATIONAL JOURNAL OF MODERN PHYSICS B 19 ( 15-17 ) 2502 - 2507 2005年07月10日

ISSN: 0217-9792

DOI
New electron states that float on semiconductor and metal surfaces

Okada, S; Enomoto, Y; Shiraishi, K; Oshiyama, A

SURFACE SCIENCE 585 ( 3 ) L177 - L182 2005年07月10日

ISSN: 0039-6028

DOI
Structure of phytochromobilin in the Pr and Pfr forms:: SAC-CI theoretical study

Hasegawa, J; Isshiki, M; Fujimoto, K; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 410 ( 1-3 ) 90 - 93 2005年07月10日

ISSN: 0009-2614

DOI
Electronic relaxation dynamics of Ni2+-ion aqueous solution:: Molecular-dynamics simulation -: art. no. 024505

Iuchi, S; Morita, A; Kato, S

JOURNAL OF CHEMICAL PHYSICS 123 ( 2 ) 2005年07月08日

ISSN: 0021-9606

DOI
Experimental and theoretical study on gas-phase ion/molecule reactions of silver trimer cation, Ag3+, with 12-crown-4 - art. no. 024314

Kumondai, K; Toyoda, M; Ishihara, M; Katakuse, I; Takeuchi, T; Ikeda, M; Iwamoto, K

JOURNAL OF CHEMICAL PHYSICS 123 ( 2 ) 2005年07月08日

ISSN: 0021-9606

DOI
Concentration-dependent frequency shifts and Raman spectroscopic noncoincidence effect of the C=O stretching mode in dipolar mixtures of acetone/dimethyl sulfoxide. Experimental, theoretical, and simulation results

Giorgini, MG; Musso, M; Torii, H

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 26 ) 5846 - 5854 2005年07月07日

ISSN: 1089-5639

DOI
Controlled monoarylation of dibromoarenes in water with a polymeric palladium catalyst

Uozumi, Y; Kikuchi, M

SYNLETT ( 11 ) 1775 - 1778 2005年07月07日

ISSN: 0936-5214

DOI
Size-specific catalytic activity of polymer-stabilized gold nanoclusters for aerobic alcohol oxidation in water

Tsunoyama, H; Sakurai, H; Negishi, Y; Tsukuda, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 26 ) 9374 - 9375 2005年07月06日

ISSN: 0002-7863

DOI
Molecular simulations in the multibaric-multithermal ensembles

Okumura, H; Okamoto, Y

COMPUTER PHYSICS COMMUNICATIONS 169 ( 1-3 ) 317 - 321 2005年07月01日

ISSN: 0010-4655

DOI
Ab initio molecular orbital study of the reactivity of active alkyl groups. VI. Modified reaction model for the elimination process of nitrosation reaction

Ikeda, H; Yukawa, M; Niiya, T

CHEMICAL & PHARMACEUTICAL BULLETIN 53 ( 7 ) 820 - 825 2005年07月

ISSN: 0009-2363

DOI
Carbon three-dimensional architecture formed by intersectional collision of graphene patches

Kawai, T; Okada, S; Miyamoto, Y; Oshiyama, A

PHYSICAL REVIEW B 72 ( 3 ) 2005年07月

ISSN: 2469-9950

DOI
Deposition of lipid bilayers on OH-density-controlled silicon dioxide surfaces

Tero, R; Urisu, T; Okawara, H; Nagayama, K

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 23 ( 4 ) 751 - 754 2005年07月

ISSN: 0734-2101

DOI
Electron distribution and intracluster reaction in [Nan(CS2)2]- negative ion clusters

Tsunoyama, H; Yasumura, Y; Ohshimo, K; Misaizu, F; Ohno, K

EUROPEAN PHYSICAL JOURNAL D 34 ( 1-3 ) 89 - 92 2005年07月

ISSN: 1434-6060

DOI
Formation of carbon-encapsulated metallic nano-particles from metal acetylides by electron beam irradiation - Ways for controlled patterning of metallic lines and magnetic dot arrays

Nishijo, J; Okabe, C; Bushiri, J; Kosugi, K; Nishi, N; Sawa, H

EUROPEAN PHYSICAL JOURNAL D 34 ( 1-3 ) 219 - 222 2005年07月

ISSN: 1434-6060

DOI
Indirect and direct energy gaps in kondo semiconductor YbB12

Okamura, H; Michizawa, T; Nanba, T; Kimura, S; Iga, F; Takabatake, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 ( 7 ) 1954 - 1957 2005年07月

ISSN: 0031-9015

DOI
Influence of cage distortions on the electronic structure and optical properties of Ba6Ge25 -: art. no. 045122

Zerec, I; Carrillo-Cabrera, W; Voevodin, V; Sichelschmidt, J; Steglich, F; Grin, Y; Yaresko, A; Kim … 全著者表示

PHYSICAL REVIEW B 72 ( 4 ) 2005年07月

ISSN: 1098-0121

DOI
Phase diagram of the t-U-V1-V2 model at quarter filling -: art. no. 033101

Ejima, S; Gebhard, F; Nishimoto, S; Ohta, Y

PHYSICAL REVIEW B 72 ( 3 ) 2005年07月

ISSN: 2469-9950

DOI
Ring-exchange mechanism for triplet superconductivity in a two-chain Hubbard model: Possible relevance to Bechgaard salts

Ohta, Y; Nishimoto, S; Shirakawa, T; Yamaguchi, Y

PHYSICAL REVIEW B 72 ( 1 ) 2005年07月

ISSN: 2469-9950

DOI
Robust superconducting state in the low-quasiparticle-density organic metals β′-(BEDT-TTF)4[(H3O)M(C2O4)3]•Y:: Superconductivity due to proximity to a charge-ordered state -: art. no. 014543

Bangura, AF; Coldea, AI; Singleton, J; Ardavan, A; Akutsu-Sato, A; Akutsu, H; Turner, SS; Day, P; Y … 全著者表示

PHYSICAL REVIEW B 72 ( 1 ) 2005年07月

ISSN: 2469-9950

DOI
Scanning tunneling microscopy and spectroscopy of phthalocyanine molecules on metal surfaces

Takada, M; Tada, H

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 7B ) 5332 - 5335 2005年07月

ISSN: 0021-4922

DOI
Self-assembled complexes of non-cross-linked amphiphilic polymeric ligands with inorganic species: Highly active and reusable solid-phase polymeric catalysts

Yamada, YMA

CHEMICAL & PHARMACEUTICAL BULLETIN 53 ( 7 ) 723 - 739 2005年07月

ISSN: 0009-2363

DOI
UPS study of VUV-photodegradation of polytetrafluoroethylene (PTFE) ultrathin film by using synchrotron radiation

Ono, M; Yamane, H; Fukagawa, H; Kera, S; Yoshimura, D; Okudaira, KK; Morikawa, E; Seki, K; Ueno, N

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 236 377 - 382 2005年07月

ISSN: 0168-583X

DOI
Velocity imaging spectrometer for negative fragment ions:: application to dynamics of O2 and N2O ion-pair dissociation

Hikosaka, Y; Shigemasa, E

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 148 ( 1 ) 5 - 10 2005年07月

ISSN: 0368-2048

DOI
Light-induced structural changes in the active site of the BLUF domain in AppA by Raman spectroscopy

Unno, M; Sano, R; Masuda, S; Ono, TA; Yamauchi, S

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 25 ) 12620 - 12626 2005年06月30日

ISSN: 1520-6106

DOI
Possible origin of modified EAG activity by point-fluorination of the insect pheromone eldanolide

Hayase, S; Renou, M; Itoh, T

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2005 ( 13 ) 2777 - 2781 2005年06月27日

ISSN: 1434-193X

DOI
Symmetry-resolved vibrational spectra of carbon K-shell photoelectron satellites in carbon monoxides:: Experiment and theory -: art. no. 243004

Ueda, K; Hoshino, M; Tanaka, T; Kitajima, M; Tanaka, H; De Fanis, A; Tamenori, Y; Ehara, M; Oyagi, … 全著者表示

PHYSICAL REVIEW LETTERS 94 ( 24 ) 2005年06月24日

ISSN: 0031-9007

DOI
Exploring the mechanism for the synthesis of silsesquioxanes.: 4.: The synthesis of T8

Kudo, T; Machida, K; Gordon, MS

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 24 ) 5424 - 5429 2005年06月23日

ISSN: 1089-5639

DOI
Unimolecular decomposition of formic acid in the gas phase - On the ratio of the competing reaction channels

Saito, K; Shiose, T; Takahashi, O; Hidaka, Y; Aiba, F; Tabayashi, F

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 24 ) 5352 - 5357 2005年06月23日

ISSN: 1089-5639

DOI
Mechanistic insights in charge-transfer-induced luminescence of 1,2-dioxetanones with a substituent of low oxidation potential

Isobe, H; Takano, Y; Okumura, M; Kuramitsu, S; Yamaguchi, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 24 ) 8667 - 8679 2005年06月22日

ISSN: 0002-7863

DOI
Theoretical fine spectroscopy with symmetry-adapted-cluster configuration-interaction method: Outer- and inner-valence ionization spectra of furan, pyrrole, and thiophene

Ehara, M; Ohtsuka, Y; Nakatsuji, H; Takahashi, M; Udagawa, Y

JOURNAL OF CHEMICAL PHYSICS 122 ( 23 ) 2005年06月15日

ISSN: 0021-9606

DOI
Symmetry-resolved soft X-ray absorption spectroscopy: its application to simple molecules

Adachi, J; Kosugi, N; Yagishita, A

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 38 ( 11 ) R127 - R152 2005年06月14日

ISSN: 0953-4075

DOI
Open-cage fullerene derivatives suitable for the encapsulation of a hydrogen molecule

Iwamatsu, S; Murata, S; Andoh, Y; Minoura, M; Kobayashi, K; Mizorogi, N; Nagase, S

JOURNAL OF ORGANIC CHEMISTRY 70 ( 12 ) 4820 - 4825 2005年06月10日

ISSN: 0022-3263

DOI
Relativistic configuration interaction and coupled cluster methods using four-component spinors:: Magnetic shielding constants of HX and CH3X (X = F, Cl, Br, I)

Kato, M; Hada, M; Fukuda, R; Nakatsuji, H

CHEMICAL PHYSICS LETTERS 408 ( 1-3 ) 150 - 156 2005年06月07日

ISSN: 0009-2614

DOI
Dissociative excitation of benzonitrile by ultraviolet multiphoton absorption

Aoyama, J; Tabayashi, K; Saito, K

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 172 ( 3 ) 241 - 249 2005年06月05日

ISSN: 1010-6030

DOI
Principal component analysis with energy density of Calophyllum coumarins

Takeuchi, M; Nakata, A; Nakai, H

CHEMISTRY LETTERS 34 ( 6 ) 844 - 845 2005年06月05日

ISSN: 0366-7022

DOI
Evidence for the weak steric hindrance scenario in the supercooled-state reorientational dynamics

Chong, SH; Moreno, AJ; Sciortino, F; Kob, W

PHYSICAL REVIEW LETTERS 94 ( 21 ) 2005年06月03日

ISSN: 0031-9007

DOI
Observation of a molecular frame (e,2e) cross section:: An (e,2e plus M) triple coincidence study on H2 -: art. no. 213202

Takahashi, M; Watanabe, N; Khajuria, Y; Udagawa, Y; Eland, JHD

PHYSICAL REVIEW LETTERS 94 ( 21 ) 2005年06月03日

ISSN: 0031-9007

DOI
Ab initio R-matrix/multi-channel quantum defect theory applied to molecular core excitation and ionization

Hiyama, M; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 1223 - 1226 2005年06月

ISSN: 0368-2048

DOI
Absolute photoabsorption cross section of C60 in the extreme ultraviolet

Mori, T; Kou, J; Haruyama, Y; Kubozono, Y; Mitsuke, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 243 - 246 2005年06月

ISSN: 0368-2048

DOI
Coincidence Auger spectroscopy

Penent, F; Lablanquie, P; Hall, RI; Palaudoux, J; Ito, K; Hikosaka, Y; Aoto, T; Eland, JHD

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 7 - 11 2005年06月

ISSN: 0368-2048

DOI
Construction of the undulator beamline equipped with a UHV-STM for observations of synchrotron-radiation-stimulated surface reaction

Nonogaki, Y; Katoh, M; Matsushita, K; Suzui, M; Urisu, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 1113 - 1116 2005年06月

ISSN: 0368-2048

DOI
Design of a novel transmission-grating spectrometer for soft X-ray emission studies

Hatsui, T; Setoyama, H; Shigemasa, E; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 1059 - 1062 2005年06月

ISSN: 0368-2048

DOI
Direct observation of surface and interface magnetism with the probing depth-dependent X-ray magnetic circular dichroism technique

Amemiya, K; Matsumura, D; Abe, H; Kitagawa, S; Yokoyama, T; Ohta, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 689 - 693 2005年06月

ISSN: 0368-2048

DOI
Dissociation mechanisms and dynamics of core-excited (N2O)n clusters

Tabayashi, K; Tada, S; Aoyama, J; Saito, K; Yoshida, H; Wada, S; Hiraya, A; Tanaka, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 179 - 182 2005年06月

ISSN: 0368-2048

DOI
Effective interaction between the interpenetrating Kagome lattices in NaxCoO2 -: art. no. 214414

Indergand, M; Yamashita, Y; Kusunose, H; Sigrist, M

PHYSICAL REVIEW B 71 ( 21 ) 2005年06月

ISSN: 2469-9950

DOI
Electronic structure of bulk metallic glass Zr55Al10Cu30Ni5

Soda, K; Shimba, K; Yagi, S; Kato, M; Takeuchi, T; Mizutani, U; Zhang, T; Hasegawa, M; Inoue, A; It … 全著者表示

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 585 - 587 2005年06月

ISSN: 0368-2048

DOI
Electronic structure of ionic liquids at the surface studied by UV photoemission

Yoshimura, D; Yokoyama, T; Nishi, T; Ishii, H; Ozawa, R; Hamaguchi, H; Seki, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 319 - 322 2005年06月

ISSN: 0368-2048

DOI
Infrared spectroscopy under multiextreme conditions: Direct observation of pseudogap formation and collapse in CeSb

Nishi, T; Kimura, S; Takahashi, T; Mori, Y; Kwon, YS; Im, HJ; Kitazawa, H

PHYSICAL REVIEW B 71 ( 22 ) 2005年06月

ISSN: 2469-9950

DOI
Interplay of single-wall carbon nanotubes and encapsulated La@C82, La2@C80, and Sc3N@C80 -: art. no. 235417

Lu, J; Nagase, S; Re, SY; Zhang, XW; Yu, DP; Zhang, J; Han, RS; Gao, ZX; Ye, HQ; Zhang, SA; Peng, LM

PHYSICAL REVIEW B 71 ( 23 ) 2005年06月

ISSN: 2469-9950

DOI
Kondo ground states and non-Fermi-liquid behavior in CeNi1-xCoxGe2 -: art. no. 214433

Lee, BK; Hong, JB; Kim, JW; Jang, KH; Mun, ED; Jung, MH; Kimura, S; Park, T; Park, JG; Kwon, YS

PHYSICAL REVIEW B 71 ( 21 ) 2005年06月

ISSN: 2469-9950

DOI
Laser spectroscopic investigation of Ca atoms in liquid helium - Comparison between spectral properties for liquid helium-3 and helium-4

Moriwaki, Y; Morita, N

EUROPEAN PHYSICAL JOURNAL D 33 ( 3 ) 323 - 327 2005年06月

ISSN: 1434-6060

DOI
Local electronic structure and protonic conductivity in perovskite-type oxide, SrZrO3

Yoshino, M; Kato, K; Mutiara, E; Yukawa, H; Morinaga, M

MATERIALS TRANSACTIONS 46 ( 6 ) 1131 - 1139 2005年06月

ISSN: 1345-9678

DOI
Local geometry and energetics of hydrogen in orthorhombic SrZrO3

Liu, Y; Yoshino, M; Tatsumi, K; Tanaka, I; Morinaga, M; Adachi, H

MATERIALS TRANSACTIONS 46 ( 6 ) 1106 - 1111 2005年06月

ISSN: 1345-9678

DOI
Magnetic rotation spectra of Co/Pt and Co/Cu multilayers in 50-90 eV region

Saito, K; Igeta, M; Ejima, T; Hatano, T; Arai, A; Watanabe, M

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 757 - 760 2005年06月

ISSN: 0368-2048

DOI
Metallic phase in the metal-intercalated higher fullerene Rb8.8(7)C84 -: art. no. 224118

Rikiishi, Y; Kashino, Y; Kusai, H; Takabayashi, Y; Kuwahara, E; Kubozono, Y; Kambe, T; Takenobu, T; … 全著者表示

PHYSICAL REVIEW B 71 ( 22 ) 2005年06月

ISSN: 2469-9950

DOI
Molecular dynamics simulations of DNA dimers based on replica-exchange umbrella sampling. I. Test of sampling efficiency

Murata, K; Sugita, Y; Okamoto, Y

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 2 ) 411 - 432 2005年06月

ISSN: 0219-6336

DOI
Molecular dynamics simulations of DNA dimers based on replica-exchange umbrella sampling. II. Free energy analysis

Murata, K; Sugita, Y; Okamoto, Y

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 2 ) 433 - 448 2005年06月

ISSN: 0219-6336

DOI
Opposite spin reorientation transitions driven by a magnetic orbital moment: Ultrathin Ni films on Cu surfaces

Nakagawa, T; Watanabe, H; Yokoyama, T

PHYSICAL REVIEW B 71 ( 23 ) 2005年06月

ISSN: 1098-0121

DOI
Organic light-emitting diodes using multifunctional phosphorescent dendrimers with iridium-complex core and charge-transporting dendrons

Tsuzuki, T; Shirasawa, N; Suzuki, T; Tokito, S

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 6A ) 4151 - 4154 2005年06月

ISSN: 0021-4922

DOI
Organic thin-film transistors with high electron mobility based on perfluoropentacene

Inoue, Y; Sakamoto, Y; Suzuki, T; Kobayashi, M; Gao, Y; Tokito, S

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 6A ) 3663 - 3668 2005年06月

ISSN: 0021-4922

DOI
Photodissociation spectroscopy of cyanogen halides in the extreme vacuum ultraviolet region

Kanda, K; Kono, M; Shobatake, K; Ibuki, T

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 139 - 141 2005年06月

ISSN: 0368-2048

DOI
Photofragmentaion mechanisms of H2O studied by ultraviolet dispersed spectroscopy

Mitsuke, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 131 - 133 2005年06月

ISSN: 0368-2048

DOI
Photofragmentation of C60 in valence ionization

Kou, J; Mori, T; Kubozono, Y; Mitsuke, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 247 - 250 2005年06月

ISSN: 0368-2048

DOI
S 2p excited states of OCS in rare gas matrices

Setoyama, H; Hatsui, T; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 87 - 89 2005年06月

ISSN: 0368-2048

DOI
Site-specific ion desorption of fluorinated phthalocyanine studied with electron-ion coincidence spectroscopy

Okudaira, KK; Watanabe, T; Kera, S; Kobayashi, E; Mase, K; Ueno, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 461 - 463 2005年06月

ISSN: 0368-2048

DOI
Spin-reorientation transition of Ni/Cu(100) and CO/Ni/Cu(100): Separation of the surface and bulk components of the X-ray magnetic circular dichroism spectrum

Amemiya, K; Sakai, E; Matsumura, D; Abe, H; Ohta, T; Yokoyama, T

PHYSICAL REVIEW B 71 ( 21 ) 2005年06月

ISSN: 2469-9950

DOI
Theoretical study of chemical binding of noble gas atom and transition metal complexes:: Ng-NiCO, Ng-NiN2, Ng-CoCO (Ng = He-Xe)

Ono, Y; Taketsugu, T

MONATSHEFTE FUR CHEMIE 136 ( 6 ) 1087 - 1106 2005年06月

ISSN: 0026-9247

DOI
UPS fine structures of highest occupied band in vanadyl-phthalocyanine ultrathin film

Fukagawa, H; Yamane, H; Kera, S; Okudaira, KK; Ueno, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 475 - 477 2005年06月

ISSN: 0368-2048

DOI
Ultraviolet photoelectron spectroscopy of multiple atoms encapsulated fullerenes

Hino, S; Wanita, N; Kato, M; Iwasaki, K; Yoshimura, D; Inoue, T; Okazaki, T; Shinohara, H

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 239 - 242 2005年06月

ISSN: 0368-2048

DOI
Valence in the Rydberg/continuum region in molecular inner-shell spectroscopy

Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 1203 - 1207 2005年06月

ISSN: 0368-2048

DOI
Vibronic couplings in the C 1s-Rydberg and valence excitations of C2H2, revealed by angle-resolved photoion yield spectroscopy

Masuda, S; Gejo, T; Hiyama, M; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 144 215 - 218 2005年06月

ISSN: 0368-2048

DOI
Polarizability and second hyperpolarizability of open-shell π-conjugated compounds from spin projection method calculations

Champagne, B; Botek, E; Quinet, O; Nakano, M; Kishi, R; Nitta, T; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 407 ( 4-6 ) 372 - 378 2005年05月27日

ISSN: 0009-2614

DOI
Magnetized/charged MgH2-based hydrogen storage materials -: art. no. 213109

Tsuda, M; Diño, WA; Kasai, H; Nakanishi, H

APPLIED PHYSICS LETTERS 86 ( 21 ) 2005年05月23日

ISSN: 0003-6951

DOI
Electronic structural changes between nickel(II)-semiquinonato and nickel (III)-catecholato states driven by chemical and physical perturbation

Ohtsu, H; Tanaka, K

CHEMISTRY-A EUROPEAN JOURNAL 11 ( 11 ) 3420 - 3426 2005年05月20日

ISSN: 0947-6539

DOI
Effective one-dimensional dipole moment function for the OH stretching overtone spectra of simple acids and alcohols

Takahashi, K; Sugawara, M; Yabushita, S

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 19 ) 4242 - 4251 2005年05月19日

ISSN: 1089-5639

DOI
Free energy molecular dynamics simulations of pulsed-laser-irradiated SiO2:: Si-Si bond formation in a matrix of SiO2 -: art. no. 201910

Boero, M; Oshiyama, A; Silvestrelli, PL; Murakami, K

APPLIED PHYSICS LETTERS 86 ( 20 ) 2005年05月16日

ISSN: 0003-6951

DOI
An empirical potential approach to dislocation formation and structural stability in GaNxAs1-x

Kawamoto, K; Suda, T; Akiyama, T; Nakamura, K; Ito, T

APPLIED SURFACE SCIENCE 244 ( 1-4 ) 182 - 185 2005年05月15日

ISSN: 0169-4332

DOI
Atomic quadrupolar effect in intermolecular electrostatic interactions of chloroalkanes: the cases of chloroform and dichloromethane

Torii, H

JOURNAL OF MOLECULAR LIQUIDS 119 ( 1-3 ) 31 - 39 2005年05月15日

ISSN: 0167-7322

DOI
Determination of the Hubbard model parameters by using the unrestricted Hartree-Fock solutions, and improvement of their energies

Yamaki, D; Yasuda, K; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 103 ( 1 ) 73 - 81 2005年05月15日

ISSN: 0020-7608

DOI
Mixed quantum-classical molecular dynamics study of vibrational relaxation of CN- ion in water:: an analysis of coupling as a function of time

Sato, M; Okazaki, S

JOURNAL OF MOLECULAR LIQUIDS 119 ( 1-3 ) 15 - 22 2005年05月15日

ISSN: 0167-7322

DOI
Molecular arrangement in the cocrystals of 1,1′,3,3′-tetramethyl-2,2′-bi-1H-imidazolium bis(tetraphenylborate) with ketone, aldehyde, and nitrile as guest molecules

Ono, K; Iwao, T; Uchiumi, H; Suzuki, T; Tomura, M; Ohkita, M; Saito, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 78 ( 5 ) 867 - 872 2005年05月15日

ISSN: 0009-2673

DOI
On the solvation structure of a raregas solute in superfluid helium-4

Miura, S

JOURNAL OF MOLECULAR LIQUIDS 119 ( 1-3 ) 41 - 46 2005年05月15日

ISSN: 0167-7322

DOI
Photoion yield curves of Dy@C82 in the vacuum UV region

Mitsuke, K; Mori, T; Kou, J; Haruyama, Y; Takabayashi, Y; Kubozono, Y

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 243 ( 2 ) 121 - 125 2005年05月15日

ISSN: 1387-3806

DOI
Pressure dependence of diffusion coefficient and orientational relaxation time for acetonitrile and methanol in water: RISM/mode-coupling study

Kobryn, AE; Yamaguchi, T; Hirata, F

JOURNAL OF MOLECULAR LIQUIDS 119 ( 1-3 ) 7 - 13 2005年05月15日

ISSN: 0167-7322

DOI
Solvation dynamics in water investigated by RISM/mode-coupling theory

Nishiyama, K; Yamaguchi, T; Hirata, F; Okada, T

JOURNAL OF MOLECULAR LIQUIDS 119 ( 1-3 ) 63 - 66 2005年05月15日

ISSN: 0167-7322

DOI
Theoretical study of the formation of a benzene cobalt complex from cobaltacyclopentadiene and acetylene

Dahy, AA; Suresh, CH; Koga, N

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 78 ( 5 ) 792 - 803 2005年05月15日

ISSN: 0009-2673

DOI
Theoretical study on the transformation of bis(acetylene)cobalt to cobaltacyclopentadiene and the regioselectivity in this transformation

Dahy, AA; Koga, N

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 78 ( 5 ) 781 - 791 2005年05月15日

ISSN: 0009-2673

DOI
Manipulation of droplets by dynamically controlled wetting gradients

Yamada, R; Tada, H

LANGMUIR 21 ( 10 ) 4254 - 4256 2005年05月10日

ISSN: 0743-7463

DOI
Site-site memory equation approach in study of density/pressure dependence of translational diffusion coefficient and rotational relaxation time of polar molecular solutions: Acetonitrile in water, methanol in water, and methanol in acetonitrile

Kobryn, AE; Yamaguchi, T; Hirata, F

JOURNAL OF CHEMICAL PHYSICS 122 ( 18 ) 2005年05月08日

ISSN: 0021-9606

DOI
Control of the optical properties of liquid crystal-infiltrated inverse opal structures using photo irradiation and/or an electric field

Kubo, S; Gu, ZZ; Takahashi, K; Fujishima, A; Segawa, H; Sato, O

CHEMISTRY OF MATERIALS 17 ( 9 ) 2298 - 2309 2005年05月03日

ISSN: 0897-4756

DOI
Ab initio calculated structures of conformers for 1,3-dimethoxy-p-tert-butylcalix[4]crown-5-ether complexed with potassium cation

Choe, JI; Chang, SK; Lee, S; Nanbu, S

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 722 ( 1-3 ) 117 - 123 2005年05月02日

ISSN: 0166-1280

DOI
Orientation of nitrous oxide on palladium(110) by STM

Watanabe, K; Kokalj, A; Inokuchi, Y; Rzeznicka, I; Ohshimo, K; Nishi, N; Matsushima, T

CHEMICAL PHYSICS LETTERS 406 ( 4-6 ) 474 - 478 2005年05月02日

ISSN: 0009-2614

DOI
Quantum chemical study on the affinity maturation of 48G7 antibody

Ohno, K; Wada, M; Saito, S; Inoue, Y; Sakurai, M

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 722 ( 1-3 ) 203 - 211 2005年05月02日

ISSN: 0166-1280

DOI
Theoretical study on monooxygenation mechanism by cytochrome P450: an ultimate species in the substrate oxidation process

Hata, M; Hirano, Y; Hoshino, T; Nishida, R; Tsuda, M

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 722 ( 1-3 ) 133 - 137 2005年05月02日

ISSN: 0166-1280

DOI
Multibaric-multithermal ensemble simulations for fluid systems

Okumura, H; Okamoto, Y

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 350 ( 1 ) 150 - 158 2005年05月01日

ISSN: 0378-4371

DOI
Behavior of hydrogen atom at Nafion-Pt interface

Tsuda, M; Diño, WA; Kasai, H

SOLID STATE COMMUNICATIONS 134 ( 9 ) 601 - 605 2005年05月

ISSN: 0038-1098

DOI
Comparative study on the smectroscopic properties of Nd:GdVO4 and Nd:YVO4 with hybrid process

Sato, Y; Taira, T

IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS 11 ( 3 ) 613 - 620 2005年05月

ISSN: 1077-260X

DOI
Deactivation mechanism of In atoms doped in a Si crystal and reactivation due to codoping with B and C

Yamauchi, J; Aoki, N

PHYSICAL REVIEW B 71 ( 20 ) 2005年05月

ISSN: 1098-0121

DOI
High-power continuous-wave intracavity frequency-doubled Nd:GdVO4-LBO laser under diode pumping into the emitting level

Pavel, N; Taira, T

IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS 11 ( 3 ) 631 - 637 2005年05月

ISSN: 1077-260X

DOI
Mass spectrometric and theoretical studies on the fragmentation mechanisms of hexamethyldigermane and hexamethyldisilane ions in the gas phase

Takeuchi, T; Shirai, Y; Matsutani, T; Kiuchi, M

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 232 217 - 222 2005年05月

ISSN: 0168-583X

DOI
Thermal conductivity of (DMe-DCNQI)2Li1-xCux (0≤x≤0.14):: Phonon propagation and the spin-Peierls lattice distortion -: art. no. 193101

Torizuka, K; Tajima, H; Yamamoto, T

PHYSICAL REVIEW B 71 ( 19 ) 2005年05月

ISSN: 2469-9950

DOI
Infrared spectroscopy on the electronic state of transition metal compounds under high pressure

Chen, L; Matsunami, M; Nanba, T

PHYSICA B-CONDENSED MATTER 359 1186 - 1188 2005年04月30日

ISSN: 0921-4526

DOI
Infrared study on CeSb under high pressures

Kimura, S; Nishi, T; Mori, Y; Sumida, T; Takahashi, T; Kwon, YS; Im, HJ; Kitazawa, H

PHYSICA B-CONDENSED MATTER 359 190 - 192 2005年04月30日

ISSN: 0921-4526

DOI
Magnetic properties of field-induced superconductor, κ-(BETS)2FeBr4

Konoike, T; Uji, S; Nishimura, M; Enomoto, K; Fujiwara, H; Zhang, B; Kobayashi, H

PHYSICA B-CONDENSED MATTER 359 457 - 459 2005年04月30日

ISSN: 0921-4526

DOI
Magnetism in strongly correlated and frustrated systems

Ueda, K; Yamashita, Y

PHYSICA B-CONDENSED MATTER 359 626 - 632 2005年04月30日

ISSN: 0921-4526

DOI
Optical response of a filled skutterudite compound GdRu4P12 due to magnetic ordering

Matsunami, M; Takimoto, M; Okamura, H; Nanba, T; Sekine, C; Shirotani, I

PHYSICA B-CONDENSED MATTER 359 844 - 846 2005年04月30日

ISSN: 0921-4526

DOI
Quantum master equation approach to the second hyperpolarizability of nanostar dendritic systems

Nakano, M; Kishi, R; Nakagawa, N; Nitta, T; Yamaguchi, K

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 16 ) 7631 - 7636 2005年04月28日

ISSN: 1520-6106

DOI
Synthesis and characterization of stable hypervalent carbon compounds (10-C-5) bearing a 2,6-bis(p-substituted phenyloxymethyl)benzene ligand

Akiba, KY; Moriyama, Y; Mizozoe, M; Inohara, H; Nishii, T; Yamamoto, Y; Minoura, M; Hashizume, D; I … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 16 ) 5893 - 5901 2005年04月27日

ISSN: 0002-7863

DOI
Theoretical study of CP2Zr-, (MeO)2Zr-, and M(PH3)-mediated coupling reactions of acetylenes (M = Ni, Pt).: Significant differences between early- and late-transition-metal complexes

Imabayashi, T; Fujiwara, Y; Nakao, Y; Sato, H; Sakaki, S

ORGANOMETALLICS 24 ( 9 ) 2129 - 2140 2005年04月25日

ISSN: 0276-7333

DOI
A basic two-state model for bosonic field theories with a cubic nonlinearity

Ishkhanyan, A; Javanainen, J; Nakamura, H

JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL 38 ( 16 ) 3505 - 3516 2005年04月22日

ISSN: 0305-4470

DOI
Elimination of translational and rotational motions in nuclear orbital plus molecular orbital theory

Nakai, H; Hoshino, M; Miyamoto, K; Hyodo, S

JOURNAL OF CHEMICAL PHYSICS 122 ( 16 ) 2005年04月22日

ISSN: 0021-9606

DOI
High performance n-type organic field-effect transistors based on π-electronic systems with trifluoromethylphenyl groups

Ando, S; Nishida, JI; Tada, H; Inoue, Y; Tokito, S; Yamashita, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 15 ) 5336 - 5337 2005年04月20日

ISSN: 0002-7863

DOI
Hyperpolarizability density analysis of the enhancement of second hyperpolarizability of π-conjugated oligomers by intermolecular interaction

Nakano, M; Kishi, R; Nitta, T; Champagne, B; Botek, E; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 102 ( 5 ) 702 - 710 2005年04月20日

ISSN: 0020-7608

DOI
Infrared and Raman studies of the phase transition in the organic conductor (TTM-TTP)I3

Swietlik, R; Yakushi, K; Yamamoto, K; Kawamoto, T; Mori, T

SYNTHETIC METALS 150 ( 1 ) 83 - 92 2005年04月20日

ISSN: 0379-6779

DOI
Synthesis of sterically hindered tris(4-imidazolyl)carbinol ligands and their copper(I) complexes related to metalloenzymes

Kujime, M; Fujii, H

TETRAHEDRON LETTERS 46 ( 16 ) 2809 - 2812 2005年04月18日

ISSN: 0040-4039

DOI
Core excitation in O3 localized to one of two symmetry-equivalent chemical bonds:: Molecular alignment through vibronic coupling -: art. no. 154303

Wiesner, K; de Brito, AN; Sorensen, SL; Kosugi, N; Björneholm, Ö

JOURNAL OF CHEMICAL PHYSICS 122 ( 15 ) 2005年04月15日

ISSN: 0021-9606

DOI
DNA in nanopores: Counterion condensation and coion depletion

Rabin, Y; Tanaka, M

PHYSICAL REVIEW LETTERS 94 ( 14 ) 2005年04月15日

ISSN: 0031-9007

DOI
Near-field optical imaging of plasmon modes in gold nanorods

Imura, K; Nagahara, T; Okamoto, H

JOURNAL OF CHEMICAL PHYSICS 122 ( 15 ) 2005年04月15日

ISSN: 0021-9606

DOI
Probing the ultrafast nuclear motion in CS22+ in intense laser fields -: art. no. 151104

Hishikawa, A; Ueyama, M; Yamanouchi, K

JOURNAL OF CHEMICAL PHYSICS 122 ( 15 ) 2005年04月15日

ISSN: 0021-9606

DOI
Short-time Fourier transform analysis of ab initio molecular dynamics simulation:: Collision reaction between CN and C4H6

Tamaoki, M; Yamauchi, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 26 ( 5 ) 436 - 442 2005年04月15日

ISSN: 0192-8651

DOI
Synchrotron radiation stimulated etching SiO2 thin films with a contact cobalt mask

Wang, CS; Urisu, T

APPLIED SURFACE SCIENCE 242 ( 3-4 ) 276 - 280 2005年04月15日

ISSN: 0169-4332

DOI
Excited states of porphyrin isomers and porphycene derivatives: A SAC-CI study

Hasegawa, JY; Takata, K; Miyahara, T; Neya, S; Frisch, MJ; Nakatsuji, H

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 14 ) 3187 - 3200 2005年04月14日

ISSN: 1089-5639

DOI
Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory

Imai, T; Kovalenko, A; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 14 ) 6658 - 6665 2005年04月14日

ISSN: 1520-6106

DOI
Glutathione-protected gold clusters revisited: Bridging the gap between gold(I)-thiolate complexes and thiolate-protected gold nanocrystals

Negishi, Y; Nobusada, K; Tsukuda, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 14 ) 5261 - 5270 2005年04月13日

ISSN: 0002-7863

DOI
Structural characterization of Y@C82

Feng, L; Wakahara, T; Tsuchiya, T; Maeda, Y; Lian, YF; Akasaka, T; Mizorogi, N; Kobayashi, K; Nagas … 全著者表示

CHEMICAL PHYSICS LETTERS 405 ( 4-6 ) 274 - 277 2005年04月12日

ISSN: 0009-2614

DOI
Vibrational energies for the (X)over-tilde1A1, (A)over-tilde1B1, and B1A1 states of SiH2/SiD2 and related transition probabilities based on global potential energy surfaces -: art. no. 144307

Tokue, I; Yamasaki, K; Nanbu, S

JOURNAL OF CHEMICAL PHYSICS 122 ( 14 ) 2005年04月08日

ISSN: 0021-9606

DOI
Hydrothermal synthesis and structural characterization of a manganese(II) wire made up of octahedral and square pyramidal Mn(II) ions

Kumagai, H; Akita-Tanaka, M; Kawata, S; Inoue, K

CHEMISTRY LETTERS 34 ( 4 ) 526 - 527 2005年04月05日

ISSN: 0366-7022

DOI
Preparation of organic light-emitting field-effect transistors with asymmetric electrodes

Sakanoue, T; Fujiwara, E; Yamada, R; Tada, H

CHEMISTRY LETTERS 34 ( 4 ) 494 - 495 2005年04月05日

ISSN: 0366-7022

DOI
First-principles studies of the intrinsic effect of nitrogen atoms on reduction in gate leakage current through Hf-based high-k dielectrics -: art. no. 143507

Umezawa, N; Shiraishi, K; Ohno, T; Watanabe, H; Chikyow, T; Torii, K; Yamabe, K; Yamada, K; Kitajim … 全著者表示

APPLIED PHYSICS LETTERS 86 ( 14 ) 2005年04月04日

ISSN: 0003-6951

DOI
Evidence for de Vries structure in a smectic-A liquid crystal observed by polarized Raman scattering -: art. no. 041705

Hayashi, N; Kato, T; Fukuda, A; Vij, JK; Panarin, YP; Naciri, J; Shashidhar, R; Kawada, S; Kondoh, S

PHYSICAL REVIEW E 71 ( 4 ) 2005年04月

ISSN: 1539-3755

DOI
Far-infrared spectroscopy of electronic states of CuIr2Se4 at high pressure

Chen, L; Matsunami, M; Nanba, T; Matsumoto, T; Nagata, S; Ikemoto, Y; Moriwaki, T; Hirono, T; Kimur … 全著者表示

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 ( 4 ) 1099 - 1102 2005年04月

ISSN: 0031-9015

DOI
The origin of the phase separation in partially deuterated κ-(ET)2Cu[N(CN)2]Br studied by infrared magneto-optical imaging spectroscopy

Nishi, T; Kimura, S; Takahashi, T; Ito, T; Im, HJ; Kwon, YS; Miyagawa, K; Taniguchi, H; Kawamoto, A … 全著者表示

SOLID STATE COMMUNICATIONS 134 ( 3 ) 189 - 193 2005年04月

ISSN: 0038-1098

DOI
Theory of photoinduced phase dynamics in organic charge-transfer complexes

Yonemitsu, K

JOURNAL OF LUMINESCENCE 112 ( 1-4 ) 279 - 282 2005年04月

ISSN: 0022-2313

DOI
Time-resolved photoluminescence of hydrogen-bonded ferroelectrics PbHPO4

Fuyuki, T; Sasaki, K; Ohno, N

JOURNAL OF LUMINESCENCE 112 ( 1-4 ) 250 - 254 2005年04月

ISSN: 0022-2313

DOI
Adsorption configuration of NH3 on single-wall carbon nanotubes

Lu, J; Nagase, S; Maeda, Y; Wakahara, T; Nakahodo, T; Akasaka, T; Yu, DP; Gao, ZX; Han, RS; Ye, HQ

CHEMICAL PHYSICS LETTERS 405 ( 1-3 ) 90 - 92 2005年03月31日

ISSN: 0009-2614

DOI
First-principles study of protonic conduction in In-doped AZrO3 (A=Ca, Sr, Ba)

Shi, CS; Yoshino, M; Morinaga, M

SOLID STATE IONICS 176 ( 11-12 ) 1091 - 1096 2005年03月31日

ISSN: 0167-2738

DOI
Time-dependent density functional approach to chemical reactions induced by electronic double excitations

Sawada, T; Ohno, K

CHEMICAL PHYSICS LETTERS 405 ( 1-3 ) 234 - 239 2005年03月31日

ISSN: 0009-2614

DOI
Molecular rotor of Cs2([18]crown-6)3 in the solid state coupled with the magnetism of [Ni(dmit)2]

Akutagawa, T; Shitagami, K; Nishihara, S; Takeda, S; Hasegawa, T; Nakamura, T; Hosokoshi, Y; Inoue, … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 12 ) 4397 - 4402 2005年03月30日

ISSN: 0002-7863

DOI
Syntheses and structures of hypervalent pentacoordinate carbon and boron compounds bearing an anthracene skeleton - Elucidation of hypervalent interaction based on X-ray analysis and DFT calculation

Yamashita, M; Yamamoto, Y; Akiba, KY; Hashizume, D; Iwasaki, F; Takagi, N; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 12 ) 4354 - 4371 2005年03月30日

ISSN: 0002-7863

DOI
Synthesis, chemical- and electrochemical properties of ruthenium(II) complexes bearing 2,6-bis(2-naphthyridyl)pyridine

Koizumi, T; Tanaka, K

INORGANICA CHIMICA ACTA 358 ( 6 ) 1999 - 2004 2005年03月30日

ISSN: 0020-1693

DOI
Geometric and electronic structures of multiple-decker one-end open sandwich clusters: Eun(C8H8)n- (n=1-4)

Takegami, R; Hosoya, N; Suzumura, J; Nakajima, A; Yabushita, S

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 11 ) 2476 - 2486 2005年03月24日

ISSN: 1089-5639

DOI
A theoretical study on the origin of π-facial stereoselectivity in the alkylation of enolates derived from 4-substituted γ-butyrolactones

Ando, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 11 ) 3964 - 3972 2005年03月23日

ISSN: 0002-7863

DOI
Ruthenium(II)-catalyzed hydrogenation of carbon dioxide to formic acid. theoretical study of real catalyst, ligand effects, and solvation effects

Ohnishi, YY; Matsunaga, T; Nakao, Y; Sato, H; Sakaki, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 11 ) 4021 - 4032 2005年03月23日

ISSN: 0002-7863

DOI
Activation of pausing F1 motor by external force

Hirono-Hara, Y; Ishuzuka, K; Kinosita, K; Yoshida, M; Noji, H

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 102 ( 12 ) 4288 - 4293 2005年03月22日

ISSN: 0027-8424

DOI
Direct detection of effective glass transitions in miscible polymer blends by temperature-modulated differential scanning calorimetry

Miwa, Y; Usami, K; Yamamoto, K; Sakaguchi, M; Sakai, M; Shimada, S

MACROMOLECULES 38 ( 6 ) 2355 - 2361 2005年03月22日

ISSN: 0024-9297

DOI
Instanton theory for the tunneling splitting of low vibrationally excited states

Mil'nikov, GV; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 122 ( 12 ) 2005年03月22日

ISSN: 0021-9606

DOI
Novel p- and n-type organic semiconductors with an anthracene unit

Ando, S; Nishida, J; Fujiwara, E; Tada, H; Inoue, Y; Tokito, S; Yamashita, Y

CHEMISTRY OF MATERIALS 17 ( 6 ) 1261 - + 2005年03月22日

ISSN: 0897-4756

DOI
Photo precursor for pentacene

Uno, H; Yamashita, Y; Kikuchi, M; Watanabe, H; Yamada, H; Okujima, T; Ogawa, T; Ono, N

TETRAHEDRON LETTERS 46 ( 12 ) 1981 - 1983 2005年03月21日

ISSN: 0040-4039

DOI
Multiple ionization of a silver diatomic molecule in an intense laser field

Shiratori, K; Nobusada, K; Yabana, K

CHEMICAL PHYSICS LETTERS 404 ( 4-6 ) 365 - 369 2005年03月18日

ISSN: 0009-2614

DOI
Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems - art. no. 114315

Champagne, B; Botek, E; Nakano, M; Nitta, T; Yamaguchi, K

JOURNAL OF CHEMICAL PHYSICS 122 ( 11 ) 2005年03月15日

ISSN: 0021-9606

DOI
X-ray absorption near-edge fine structure study of AlInN semiconductors

Guo, QX; Ding, J; Tanaka, T; Nishio, M; Ogawa, H

APPLIED PHYSICS LETTERS 86 ( 11 ) 2005年03月14日

ISSN: 0003-6951

DOI
Spin-orbit coupling of spin-frustrated systems

Takeda, R; Yamanaka, S; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 102 ( 1 ) 80 - 89 2005年03月05日

ISSN: 0020-7608

DOI
Hydrophobic effects on partial molar volume

Imai, T; Hirata, F

JOURNAL OF CHEMICAL PHYSICS 122 ( 9 ) 2005年03月01日

ISSN: 0021-9606

DOI
Similarities in photoluminescence in hafnia and zirconia induced by ultraviolet photons

Ito, T; Maeda, M; Nakamura, K; Kato, H; Ohki, Y

JOURNAL OF APPLIED PHYSICS 97 ( 5 ) 2005年03月01日

ISSN: 0021-8979

DOI
Structures of [(CO2)n(H2O)m]- (n=1-4, m=1,2) cluster anions.: I.: Infrared photodissociation spectroscopy -: art. no. 094303

Muraoka, A; Inokuchi, Y; Nishi, N; Nagata, T

JOURNAL OF CHEMICAL PHYSICS 122 ( 9 ) 2005年03月01日

ISSN: 0021-9606

DOI
Synthesis and X-ray structure study on new Au(I) polymer architectures based on multi-sulfur tentacles

Nunokawa, K; Okazaki, K; Onaka, S; Ito, M; Sunahara, T; Ozeki, T; Imai, H; Inoue, K

JOURNAL OF ORGANOMETALLIC CHEMISTRY 690 ( 5 ) 1332 - 1339 2005年03月01日

ISSN: 0022-328X

DOI
Synthesis and electrochemical properties of bis(bipyridine)ruthenium(II) complexes bearing pyridinyl- and pyridinylidene ligands induced by cyclometalation of N'-methylated bipyridinium analogs

Koizumi, T; Tomon, T; Tanaka, K

JOURNAL OF ORGANOMETALLIC CHEMISTRY 690 ( 5 ) 1258 - 1264 2005年03月01日

ISSN: 0022-328X

DOI
Ab initio R-matrix/multi-channel quantum defect theory approach to study molecular core excitation and ionization:: GSCF4R

Hiyama, M; Kosugi, N

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 1 ) 35 - 47 2005年03月

ISSN: 0219-6336

DOI
Ab initio electronic structure calculation for single-component molecular conductor Au(tmdt)2 (tmdt = trimethylenetetrathiafulvalenedithiolate)

Ishibashi, S; Tanaka, H; Kohyama, M; Tokumoto, M; Kobayashi, A; Kobayashi, H; Terakura, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 ( 3 ) 843 - 846 2005年03月

ISSN: 0031-9015

DOI
C 1s and O 1s photoelectron spectra of formaldehyde with satellites: theory and experiment

Kuramoto, K; Ehara, M; Nakatsuji, H; Kitajima, M; Tanaka, H; De Fanis, A; Tamenori, Y; Ueda, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 142 ( 3 ) 253 - 259 2005年03月

ISSN: 0368-2048

DOI
Carrier-induced magnetic circular dichloism in the magnetoresistive pyrochlore Tl2Mn2O7

Okamura, H; Koretsune, T; Kimura, S; Nanba, T; Imai, H; Shimakawa, Y; Kubo, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 74 ( 3 ) 970 - 974 2005年03月

ISSN: 0031-9015

DOI
Electron momentum spectroscopy of valence satellites of neon

Watanabe, N; Khajuria, Y; Takahashi, M; Udagawa, Y

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 142 ( 3 ) 325 - 334 2005年03月

ISSN: 0368-2048

DOI
Electronic structure around an As antisite near the (110) surface of GaAs

Iguchi, Y; Fujiwara, T; Hida, A; Maeda, K

PHYSICAL REVIEW B 71 ( 12 ) 2005年03月

ISSN: 1098-0121

DOI
Exciton dynamics in nanostar dendritic systems using a quantum master equation approach: core monomer effects and possibility of energy transport control

Nakano, M; Kishi, R; Takahata, M; Nitta, T; Yamaguchi, K

JOURNAL OF LUMINESCENCE 111 ( 4 ) 359 - 366 2005年03月

ISSN: 0022-2313

DOI
Extension of energy density analysis to treating chemical bonds in molecules

Nakai, H; Kikuchi, Y

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 1 ) 317 - 331 2005年03月

ISSN: 0219-6336

DOI
Hydrogenase-based nanomaterials as anode electrode catalyst in polymer electrolyte fuel cells

Tsuda, M; Diño, WA; Kasai, H

SOLID STATE COMMUNICATIONS 133 ( 9 ) 589 - 591 2005年03月

ISSN: 0038-1098

DOI
Nonadiabatic transition and chemical dynamics: Multi-dimensional tunneling theory and applications of the Zhu-Nakamura theory

Nakamura, H

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 1 ) 127 - 137 2005年03月

ISSN: 0219-6336

DOI
One rotary mechanism for F1-ATPase over ATP concentrations from millimolar down to nanomolar

Sakaki, N; Shimo-Kon, R; Adachi, K; Itoh, H; Furuike, S; Muneyuki, E; Yoshida, M; Kinosita, K

BIOPHYSICAL JOURNAL 88 ( 3 ) 2047 - 2056 2005年03月

ISSN: 0006-3495

DOI
Origin of threshold electrons produced in decay of the Xe 4d-1 np resonance

Aoto, T; Hikosaka, Y; Hall, R; Penent, F; Lablanquie, P; Ito, K

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 142 ( 3 ) 319 - 323 2005年03月

ISSN: 0368-2048

DOI
Oxidative addition of C-X bond in HCCX (X = H, CH3, and SiH3) to rhodium(I) complex and subsequent 1,3-migration of X:: A DFT level study

Suresh, CH; Koga, N

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 1 ) 59 - 73 2005年03月

ISSN: 0219-6336

DOI
Practical performance assessment of accompanying coordinate expansion recurrence relation algorithm for computation of electron repulsion integrals

Katouda, M; Kobayashi, M; Nakai, H; Nagase, S

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 1 ) 139 - 149 2005年03月

ISSN: 0219-6336

DOI
Semiclassical formulation of optimal control theory

Kondorskiy, A; Nakamura, H

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 1 ) 75 - 87 2005年03月

ISSN: 0219-6336

DOI
Semiclassical frozen Gaussian propagation method for electronically nonadiabatic chemical dynamics: Moller operator formulation and incorporation of the Zhu-Nakamura theory

Kondorskiy, A; Nakamura, H

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 4 ( 1 ) 89 - 102 2005年03月

ISSN: 0219-6336

DOI
Theoretical study of photoabsorption cross-section of water cluster anions: the size and isomer dependences

Iwata, S; Chen, FW

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 142 ( 3 ) 277 - 281 2005年03月

ISSN: 0368-2048

DOI
Theoretical surface spectroscopy of NO on the Pt(111) surface with the DAM (dipped adcluster model) and the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method

Nakatsuji, H; Matsumune, N; Kuramoto, K

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1 ( 2 ) 239 - 247 2005年03月

ISSN: 1549-9618

DOI
Dinuclear ruthenium(II) K2-diamido/η6-naphthalene complexes featuring a coordinatively unsaturated yet highly π-basic (η5 -C5Me5)Ru diamide fragment

Takemoto, S; Oshio, S; Shiromoto, T; Matsuzaka, H

ORGANOMETALLICS 24 ( 5 ) 801 - 804 2005年02月28日

ISSN: 0276-7333

DOI
Influence of the cooling rate on low-temperature Raman and infrared-reflection spectra of partially deuterated κ-(BEDT-TTF)2Cu(N(CN)2)Br

Maksimuk, A; Yakushi, K; Taniguchi, H; Kanoda, K; Kawamoto, A

SYNTHETIC METALS 149 ( 1 ) 13 - 18 2005年02月28日

ISSN: 0379-6779

DOI
Theoretical study on the arornaticity of o-, m-, and p-benzyne

Sakai, S

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 715 ( 1-3 ) 101 - 105 2005年02月28日

ISSN: 0166-1280

DOI
Two-photon spectroscopy of core excitons in barium fluoride using synchrotron radiation and laser light

Tsujibayashi, T; Itoh, M; Azuma, J; Watanabe, M; Arimoto, O; Nakanishi, S; Itoh, H; Kamada, M

PHYSICAL REVIEW LETTERS 94 ( 7 ) 2005年02月25日

ISSN: 0031-9007

DOI
Combined NMR and quantum chemical studies on the interaction between trehalose and dienes relevant to the antioxidant function of trehalose

Oku, K; Kurose, M; Kubota, M; Fukuda, S; Kurimoto, M; Tujisaka, Y; Okabe, A; Sakurai, M

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 7 ) 3032 - 3040 2005年02月24日

ISSN: 1520-6106

DOI
Chemical reactivities of the cation and anion of M@C82 (M = Y, La, and Ce)

Maeda, Y; Miyashita, J; Hasegawa, T; Wakahara, T; Tsuchiya, T; Feng, L; Lian, YF; Akasaka, T; Kobay … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 7 ) 2143 - 2146 2005年02月23日

ISSN: 0002-7863

DOI
Laser control of electronic transitions of wave packet by using quadratically chirped pulses

Zou, SY; Kondorskiy, A; Mil'nikov, G; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 122 ( 8 ) 2005年02月22日

ISSN: 0021-9606

DOI
Resonance Raman investigation of the specific sensing mechanism of a target molecule by gas sensory proteins

Ohta, T; Kitagawa, T

INORGANIC CHEMISTRY 44 ( 4 ) 758 - 769 2005年02月21日

ISSN: 0020-1669

DOI
Fractional occupation number approaches for CAS (2,2) systems based on second-order density

Takeda, R; Yamanaka, S; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 101 ( 6 ) 658 - 665 2005年02月20日

ISSN: 0020-7608

DOI
Gibbs energy-based treatment of metallofullerenes: Ca@C72, Ca@C74, Ca@C82, and La@C82

Slanina, Z; Adamowicz, L; Kobayashi, K; Nagase, S

MOLECULAR SIMULATION 31 ( 2-3 ) 71 - 77 2005年02月15日

ISSN: 0892-7022

DOI
Electrostatic origin of the cooperative effect on the C=O bond lengths and the amide I vibrational frequencies of the N-methylacetamide oligomers

Torii, H

JOURNAL OF MOLECULAR STRUCTURE 735 21 - 26 2005年02月14日

ISSN: 0022-2860

DOI
Inner-shell photoelectron angular distributions from fixed-in-space OCS molecules

Golovin, AV; Adachi, J; Motoki, S; Takahashi, M; Yagishita, A

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 38 ( 3 ) L63 - L68 2005年02月14日

ISSN: 0953-4075

DOI
Ionization energies and electron distributions of one-end open sandwich clusters: Eun(C8H8)n (n=1-4)

Takegami, R; Hosoya, N; Suzumura, J; Yada, K; Nakajima, A; Yabushita, S

CHEMICAL PHYSICS LETTERS 403 ( 1-3 ) 169 - 174 2005年02月14日

ISSN: 0009-2614

DOI
Structure of the S1 state of diphenylacetylene as studied by time-resolved CARS and infrared spectroscopy

Nomoto, T; Ishibashi, T; Okamoto, H; Hamaguchi, H

JOURNAL OF MOLECULAR STRUCTURE 735 197 - 202 2005年02月14日

ISSN: 0022-2860

DOI
Synthesis and redox-active base-pairing properties of DNA incorporating mercapto C-nucleosides

Hatano, A; Makita, S; Kirihara, M

TETRAHEDRON 61 ( 7 ) 1723 - 1730 2005年02月14日

ISSN: 0040-4020

DOI
Theoretical study on excitation dynamics of 5-dibenzosuberene and its derivatives

Nakai, H; Baba, T

JOURNAL OF MOLECULAR STRUCTURE 735 211 - 216 2005年02月14日

ISSN: 0022-2860

DOI
Reaction mechanisms of oxygen at SiO2/Si(100) interface

Akiyama, T; Kageshima, H

SURFACE SCIENCE 576 ( 1-3 ) L65 - L70 2005年02月10日

ISSN: 0039-6028

DOI
Second hyperpolarizability (γ) of singlet diradical system: Dependence of γ on the diradical character

Nakano, M; Kishi, R; Nitta, T; Kubo, T; Nakasuji, K; Kamada, K; Ohta, K; Champagne, B; Botek, E; Ya … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 5 ) 885 - 891 2005年02月10日

ISSN: 1089-5639

DOI
Reactivity and stability of organocopper(I), silver(I), and gold(I) ate compounds and their trivalent derivatives

Nakanishi, W; Yamanaka, M; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 5 ) 1446 - 1453 2005年02月09日

ISSN: 0002-7863

DOI
4d→4f dipole resonance of the metal atom encapsulated in a fullerene cage:: Ce@C82 -: art. no. 064304

Mitsuke, K; Mori, T; Kou, J; Haruyama, Y; Kubozono, Y

JOURNAL OF CHEMICAL PHYSICS 122 ( 6 ) 2005年02月08日

ISSN: 0021-9606

DOI
Direct detection of high mobility around chain ends of poly(methyl methacrylate) by the spin-labeling

Miwa, Y; Yamamoto, K; Sakaguchi, M; Sakai, M; Makita, S; Shimada, S

MACROMOLECULES 38 ( 3 ) 832 - 838 2005年02月08日

ISSN: 0024-9297

DOI
Fabrication of a novel nanodevice that functions on demand

Oba, T; Hanasaki, M; Minabe, M; Tamiaki, H

CHEMISTRY LETTERS 34 ( 2 ) 150 - 151 2005年02月05日

ISSN: 0366-7022

DOI
Structural and physical properties of λ-(BEST)2MCl4 (BEST = bis(ethylenediseleno)tetrathiafulvalene;: M = Fe, Ga) and analogous magnetic organic conductor

Cui, HB; Otsubo, S; Okano, Y; Kobayashi, H

CHEMISTRY LETTERS 34 ( 2 ) 254 - 255 2005年02月05日

ISSN: 0366-7022

DOI
Systematic studies on redox behavior of homonuclear double-bond compounds of heavier group 15 elements

Sasamori, T; Mieda, E; Nagahora, N; Takeda, N; Takagi, N; Nagase, S; Tokitoh, N

CHEMISTRY LETTERS 34 ( 2 ) 166 - 167 2005年02月05日

ISSN: 0366-7022

DOI
Spectroscopic and redox properties of a CooA homologue from Carboxydothermus hydrogenoformans

Inagaki, S; Masuda, C; Akaishi, T; Nakajima, H; Yoshioka, S; Ohta, T; Pal, B; Kitagawa, T; Aono, S

JOURNAL OF BIOLOGICAL CHEMISTRY 280 ( 5 ) 3269 - 3274 2005年02月04日

ISSN: 0021-9258

DOI
Rotational spectrum and hydrogen bonding of the H2O-HO radical complex

Ohshima, Y; Sato, K; Sumiyoshi, Y; Endo, Y

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 127 ( 4 ) 1108 - 1109 2005年02月02日

ISSN: 0002-7863

DOI
ATP-driven stepwise rotation of FOF1,-ATP synthase

Ueno, H; Suzuki, T; Kinosita, K; Yoshida, M

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 102 ( 5 ) 1333 - 1338 2005年02月01日

ISSN: 0027-8424

DOI
Assignment of surface IR absorption spectra observed in the oxidation reactions:: 2H+H2O/Si(100) and H2O+H/Si(100)

Wang, ZH; Urisu, T; Watanabe, H; Ooi, K; Rao, GR; Nanbu, S; Maki, J; Aoyagi, M

SURFACE SCIENCE 575 ( 3 ) 330 - 342 2005年02月01日

ISSN: 0039-6028

DOI
Studies of the X-ray absorption spectra of some methylcyano esters

Takahashi, O; Saito, K; Mitani, M; Yoshida, H; Tahara, F; Sunami, T; Waki, K; Senba, Y; Hiraya, A; … 全著者表示

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 142 ( 2 ) 113 - 119 2005年02月

ISSN: 0368-2048

DOI
Conformational property of carvone as studied by laser-jet spectroscopy and theoretical calculations

Mineyama, M; Egawa, T

JOURNAL OF MOLECULAR STRUCTURE 734 ( 1-3 ) 61 - 65 2005年01月31日

ISSN: 0022-2860

DOI
Molecular structure and nicotinic activity of arecoline. A gas electron diffraction study combined with theoretical calculations

Takeshima, T; Takeuchi, H; Egawa, T; Konaka, S

JOURNAL OF MOLECULAR STRUCTURE 734 ( 1-3 ) 15 - 22 2005年01月31日

ISSN: 0022-2860

DOI
New BETS salt with the square planar [Ni(CN)4]2- anion

Dubrovskii, AD; Spitsina, NG; Buravov, LI; Chekhlov, AN; Dyachenko, OA; Okano, Y; Kobayashi, A; Pes … 全著者表示

SYNTHETIC METALS 148 ( 2 ) 213 - 218 2005年01月31日

ISSN: 0379-6779

DOI
Synthesis of the necine bases (±)-macronecine and (±)-supinidine via an aza-ene reaction and allylsilane induced ring closure

Sarkar, TK; Hazra, A; Gangopadhyay, P; Panda, N; Slanina, Z; Lin, CC; Chen, HT

TETRAHEDRON 61 ( 5 ) 1155 - 1165 2005年01月31日

ISSN: 0040-4020

DOI
A quantum chemical method for rapid optimization of protein structures

Wada, M; Sakurai, M

JOURNAL OF COMPUTATIONAL CHEMISTRY 26 ( 2 ) 160 - 168 2005年01月30日

ISSN: 0192-8651

DOI
Resonance Raman evidence for the presence of two heme pocket conformations with varied activities in CO-bound bovine soluble guanylate cyclase and their conversion

Li, ZQ; Pal, B; Takenaka, S; Tsuyama, S; Kitagawa, T

BIOCHEMISTRY 44 ( 3 ) 939 - 946 2005年01月25日

ISSN: 0006-2960

DOI
Knotted network consisting of 3-threads and a zwitterionic one-dimensional polymorphs of trans-3-(3-pyridyl)acrylate of cobalt and nickel, MII(C8H6NO2)2(H2O)2

Kurmoo, M; Estournès, C; Oka, Y; Kumagai, H; Inoue, K

INORGANIC CHEMISTRY 44 ( 2 ) 217 - 224 2005年01月24日

ISSN: 0020-1669

DOI
Orientation dependence of O2 dissociation from heme-O2 adduct

Tsuda, M; Diño, WA; Nakanishi, H; Kasai, H

CHEMICAL PHYSICS LETTERS 402 ( 1-3 ) 71 - 74 2005年01月24日

ISSN: 0009-2614

DOI
Synthesis of a vanadium(III) tris(arylthiolato) complex and its reactions with azide and azo compounds: Formation of a sulfenamide complex via cleavage of an azo N=N bond

Komuro, T; Matsuo, T; Kawaguchi, H; Tatsumi, K

INORGANIC CHEMISTRY 44 ( 2 ) 175 - 177 2005年01月24日

ISSN: 0020-1669

DOI
Ultraviolet photoelectron spectra of three Tm@C82 isomers

Hino, S; Wanita, N; Iwasaki, K; Yoshimura, D; Ozawa, N; Kodama, T; Sakaguchi, K; Nishikawa, H; Ikem … 全著者表示

CHEMICAL PHYSICS LETTERS 402 ( 1-3 ) 217 - 221 2005年01月24日

ISSN: 0009-2614

DOI
Stabilization and destabilization of the Ru-CO bond during the 2,2′-bipyridin-6-onato (bpyO)-localized redox reaction of [Ru(terpy)(bpyO)(CO)](PF6)

Tomon, T; Koizumi, T; Tanaka, K

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 2 ) 285 - 293 2005年01月21日

ISSN: 1434-1948

DOI
Cycloisomerization of 1,6-enynes: Asymmetric multistep preparation of a hydrindane framework in water with polymeric catalysts

Nakai, Y; Uozumi, Y

ORGANIC LETTERS 7 ( 2 ) 291 - 293 2005年01月20日

ISSN: 1523-7060

DOI
Dynamics of double photoionization near the Ar 2p threshold investigated by threshold electron-Auger electron coincidence spectroscopy

Lablanquie, P; Sheinerman, S; Penent, F; Aoto, T; Hikosaka, Y; Ito, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 38 ( 1 ) L9 - L18 2005年01月14日

ISSN: 0953-4075

DOI
Lanthanide organometallic sandwich nanowires: Formation mechanism

Hosoya, N; Takegami, R; Suzumura, J; Yada, K; Koyasu, K; Miyajima, K; Mitsui, M; Knickelbein, MB; Y … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 109 ( 1 ) 9 - 12 2005年01月13日

ISSN: 1089-5639

DOI
Resistant mechanism against nelfinavir of human immunodeficiency virus type 1 proteases

Ode, H; Ota, M; Neya, S; Hata, M; Sugiura, W; Hoshino, T

JOURNAL OF PHYSICAL CHEMISTRY B 109 ( 1 ) 565 - 574 2005年01月13日

ISSN: 1520-6106

DOI
A theoretical study of cyclohexadiene/hexatriene photochemical interconversion: multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays

Tamura, H; Nanbu, S; Nakamura, H; Ishida, T

CHEMICAL PHYSICS LETTERS 401 ( 4-6 ) 487 - 491 2005年01月11日

ISSN: 0009-2614

DOI
Hydrogenation and dehalogenation under aqueous conditions with an amphiphilic-polymer-supported nanopalladium catalyst

Nakao, R; Rhee, H; Uozumi, Y

ORGANIC LETTERS 7 ( 1 ) 163 - 165 2005年01月06日

ISSN: 1523-7060

DOI
Exploration on Au(S-4-py)PR3 complexes as a viable building block for constructing hetero-nuclear supramolecules:: synthesis and X-ray study on M(acac′)2[Au(S-4-py)PR3]2(ClO4)x (M = Cr, Cu; acac′ = acetylacetonate, hexafluoro-acetylacetonate; x=0 or 1)

Nunokawa, K; Onaka, S; Mizuno, Y; Okazaki, K; Sunahara, T; Ito, M; Yaguchi, M; Imai, H; Inoue, K; O … 全著者表示

JOURNAL OF ORGANOMETALLIC CHEMISTRY 690 ( 1 ) 48 - 56 2005年01月03日

ISSN: 0022-328X

DOI
The effect of carbon chain length of the diphosphine ligand on the aurophilic interaction.: Synthesis and X-ray structural study for a series of Au(I) compounds with Ph2P-R-PPh2 and S-(CH2)n-py ligands

Onaka, S; Yaguchi, M; Yamauchi, R; Ozeki, T; Ito, M; Sunahara, T; Sugiura, Y; Shiotsuka, M; Horibe, … 全著者表示

JOURNAL OF ORGANOMETALLIC CHEMISTRY 690 ( 1 ) 57 - 68 2005年01月03日

ISSN: 0022-328X

DOI
Theoretical fine spectroscopy with symmetry adapted cluster-configuration interaction general-R method:: First-row K-shell ionizations and their satellites -: art. no. 014304

Kuramoto, K; Ehara, M; Nakatsuji, H

JOURNAL OF CHEMICAL PHYSICS 122 ( 1 ) 2005年01月01日

ISSN: 0021-9606

DOI
Bond and charge-density waves in (DI-DCNQI)2Ag (DI-DCNQI=2,5-diiodo-N,N′-dicyanoquinediimine) studied by single-crystal infrared and Raman spectroscopy -: art. no. 045118

Yamamoto, K; Yamamoto, T; Yakushi, K; Pecile, C; Meneghetti, M

PHYSICAL REVIEW B 71 ( 4 ) 2005年01月

ISSN: 1098-0121

DOI
Computational analysis of the transient movement of helices in sensory rhodopsin II

Sato, Y; Hata, M; Neya, S; Hoshino, T

PROTEIN SCIENCE 14 ( 1 ) 183 - 192 2005年01月

ISSN: 0961-8368

DOI
First principles interpretation of cyclohexane dehydrogenation process using Pt

Tsuda, M; Diño, WA; Nakanishi, H; Watanabe, S; Kasai, H

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 1A ) 402 - 405 2005年01月

ISSN: 0021-4922

DOI
Interactions of soluble guanylate cyclase with diatomics as probed by resonance Raman spectroscopy

Pal, B; Kitagawa, T

JOURNAL OF INORGANIC BIOCHEMISTRY 99 ( 1 ) 267 - 279 2005年01月

ISSN: 0162-0134

DOI
Ion trapping phenomenon in UVSOR electron storage ring

Mochihashi, A; Katoh, M; Hosaka, M; Hayashi, K; Yamazaki, J; Takashima, Y; Hori, Y

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 44 ( 1A ) 430 - 437 2005年01月

ISSN: 0021-4922

DOI
Theoretical study on the photoabsorption in the Herzberg I band system of the O2 molecule

Takegami, R; Yabushita, S

JOURNAL OF MOLECULAR SPECTROSCOPY 229 ( 1 ) 63 - 77 2005年01月

ISSN: 0022-2852

DOI
2D NMR characterization of the La@C82 anion

Tsuchiya, T; Wakahara, T; Maeda, Y; Akasaka, T; Waelchli, M; Kato, T; Okubo, H; Mizorogi, N; Kobaya … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 21 ) 3282 - 3285 2005年

ISSN: 1433-7851

DOI
A DFT study on hetero-Diels-Alder reactions catalyzed by cobalt complexes: Lewis acidity enhancement as a consequence of spin transition caused by lewis base coordination

Iwakura, I; Ikeno, T; Yamada, T

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 17 ) 2524 - 2527 2005年

ISSN: 1433-7851

DOI
A molecular theory of liquid interfaces

Kovalenko, A; Hirata, F

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 7 ( 8 ) 1785 - 1793 2005年

ISSN: 1463-9076

DOI
A neutral mixed-valent conducting polymer formed by electron transfer between metal d and ligand π orbitals

Mitsumi, M; Goto, H; Umebayashi, S; Ozawa, Y; Kobayashi, M; Yokoyama, T; Tanaka, H; Kuroda, S; Tori … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 27 ) 4164 - 4168 2005年

ISSN: 1433-7851

DOI
A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer

Sugimoto, H; Tarumizu, M; Tanaka, K; Miyake, H; Tsukube, H

DALTON TRANSACTIONS ( 21 ) 3558 - 3565 2005年

ISSN: 1477-9226

DOI
A unique new multiband molecular conductor:: [BDTA][Ni(dmit)2]2

Staniland, SS; Fujita, W; Umezono, Y; Awaga, K; Clark, SJ; Cui, HB; Kobayashi, H; Robertson, N

CHEMICAL COMMUNICATIONS ( 25 ) 3204 - 3206 2005年

ISSN: 1359-7345

DOI
Carbon dioxide fixation - Copper(II) and zinc(II) complexes can fix atmospheric carbon dioxide

Kong, LY; Zhang, ZH; Zhu, HF; Kawaguchi, H; Okamura, T; Doi, M; Chu, Q; Sun, WY; Ueyama, N

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 28 ) 4352 - 4355 2005年

ISSN: 1433-7851

DOI
Crystal structures and physical properties of single-component molecular conductors consisting of nickel and gold complexes with bis(trifluoromethyl)tetrathiafulvalenedithiolate ligands

Sasa, M; Fujiwara, E; Kobayashi, A; Ishibashi, S; Terakura, K; Okano, Y; Fujiwara, H; Kobayashi, H

JOURNAL OF MATERIALS CHEMISTRY 15 ( 1 ) 155 - 163 2005年

ISSN: 0959-9428

DOI
Development of metallic crystals composed of single-component molecules

Kobayashi, A; Zhou, B; Kobayashi, H

JOURNAL OF MATERIALS CHEMISTRY 15 ( 34 ) 3449 - 3451 2005年

ISSN: 0959-9428

DOI
Dielectric properties of porous molecular crystals that contain polar molecules

Cui, HB; Takahashi, K; Kano, Y; Kobayashi, H; Wang, ZM; Kobayashi, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 40 ) 6508 - 6512 2005年

ISSN: 1433-7851

DOI
Electrochemical hydrogenation of [Ru(bpy)2(napy-κN)(CO)]2+:: Inhibition of reductive Ru-CO bond cleavage by a ruthenacycle

Tomon, T; Koizumi, TA; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 15 ) 2229 - 2232 2005年

ISSN: 1433-7851

DOI
Estimation of ligand-receptor binding affinity from fluctuation of their interface

Iwamoto, K; Ode, H; Ohta, M; Misu, T; Hata, M; Neya, S; Hoshino, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 44 ( 42-45 ) L1370 - L1372 2005年

ISSN: 0021-4922

DOI
Field-effect transistors based on single-crystalline wires of bis-(1, 2, 5-thiadiazolo)-p-quinobis(1, 3-dithiole)

Fujiwara, E; Takada, M; Yamashita, Y; Tada, H

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 44 ( 1-7 ) L82 - L84 2005年

ISSN: 0021-4922

DOI
Giant vesicle fusion on microelectrodes fabricated by femtosecond laser ablation followed by synchrotron radiation etching

Rahman, MM; Nonogaki, Y; Tero, R; Kim, YH; Uno, H; Zhang, ZL; Yano, T; Aoyama, M; Sasaki, R; Nagai, … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 44 ( 37-41 ) L1207 - L1210 2005年

ISSN: 0021-4922

DOI
High-power operation of diode edge-pumped, glue-bonded, composite Yb:Y3AI5O12 microchip laser with ceramic, undoped YAG pump light-guide

Tsunekane, M; Taira, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 44 ( 37-41 ) L1164 - L1167 2005年

ISSN: 0021-4922

DOI
Magnetic resonance in a [{Cr(CN)6}{Mn(S)-pnH-(H2O)}]•H2O single-crystal molecular ferrimagnet

Blokhin, IV; Markosyan, AS; Morgunov, RB; Inoue, K; Tanimoto, Y; Yoshida, Y

PHYSICS OF THE SOLID STATE 47 ( 11 ) 2106 - 2113 2005年

ISSN: 1063-7834

DOI
Mode-selective excitation of coherent surface phonons on alkali-covered metal surfaces

Watanabe, K; Takagi, N; Matsumoto, Y

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 7 ( 14 ) 2697 - 2700 2005年

ISSN: 1463-9076

DOI
Observation of intense bursts of terahertz synchrotron radiation at UVSOR-II

Takashima, Y; Katoh, M; Hosaka, M; Mochihashi, A; Kimura, S; Takahashi, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 44 ( 33-36 ) L1131 - L1133 2005年

ISSN: 0021-4922

DOI
Photofragmentation of C60 in the extreme ultraviolet:: statistical analysis on the appearance energies of C60-2nz+(n≥1, z=1-3)

Kou, J; Mori, T; Kubozono, Y; Mitsuke, K

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 7 ( 1 ) 119 - 123 2005年

ISSN: 1463-9076

DOI
Reverse spin transition triggered by a structural phase transition

Hayami, S; Shigeyoshi, Y; Akita, M; Inoue, K; Kato, K; Osaka, K; Takata, M; Kawajiri, R; Mitani, T; … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 31 ) 4899 - 4903 2005年

ISSN: 1433-7851

DOI
Reversible ferromagnetic-antiferromagnetic transformation upon dehydration-hydration of the nanoporous coordination framework, [Co3(OH)2(C4O4)2]•3H2O

Kurmoo, M; Kumagai, H; Chapman, KW; Kepert, CJ

CHEMICAL COMMUNICATIONS ( 24 ) 3012 - 3014 2005年

ISSN: 1359-7345

DOI
Reversible hydride generation and release from the ligand of [Ru(pbn)(bpy)2](PF6)2 driven by a pbn-localized redox reaction

Koizumi, T; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 36 ) 5891 - 5894 2005年

ISSN: 1433-7851

DOI
S-heterocyclic carbene with a disilane backbone

Nikawa, H; Nakahodo, T; Tsuchiya, T; Wakahara, T; Rahman, GMA; Akasaka, T; Maeda, Y; Liu, MTH; Megu … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 46 ) 7567 - 7570 2005年

ISSN: 1433-7851

DOI
Spin polarization effects on O2 dissociation from heme-O2 adduct

Tsuda, M; Diño, WA; Kasai, H

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 44 ( 1-7 ) L57 - L59 2005年

ISSN: 0021-4922

DOI
Synthesis, characterization and FET properties of novel dithiazolylbenzothiadiazole derivatives

Akhtaruzzaman, M; Kamata, N; Nishida, J; Ando, S; Tada, H; Tomura, M; Yamashita, Y

CHEMICAL COMMUNICATIONS ( 25 ) 3183 - 3185 2005年

ISSN: 1359-7345

DOI
Synthesis, intermolecular interaction, and semiconductive behavior of a delocalized singlet biradical hydrocarbon

Kubo, T; Shimizu, A; Sakamoto, M; Uruichi, M; Yakushi, K; Nakano, M; Shiomi, D; Sato, K; Takui, T; … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 40 ) 6564 - 6568 2005年

ISSN: 1433-7851

DOI
The aromaticity of the stannole dianion

Saito, M; Haga, R; Yoshioka, M; Ishimura, K; Nagase, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 40 ) 6553 - 6556 2005年

ISSN: 1433-7851

DOI
The importance of a β-β bond for long-range antiferromagnetic coupling in directly linked copper(II) and silver(II) diporphyrins

Ikeue, T; Furukawa, K; Hata, H; Aratani, N; Shinokubo, H; Kato, T; Osuka, A

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 44 ( 42 ) 6899 - 6901 2005年

ISSN: 1433-7851

DOI
Theoretical fine spectroscopy with SAC-CI method: Outer- and inner-valence ionization spectra of CO and N2

Ehara, M; Ishida, M; Nakatsuji, H

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS 70 ( 7 ) 881 - 904 2005年

ISSN: 0010-0765

DOI
What is special about endofullerenes?

Dinse, KP; Kato, T

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 13 147 - 153 2005年

ISSN: 1536-383X

DOI
Secondary-structure preferences of force fields for proteins evaluated by generalized-ensemble simulations

Yoda, T; Sugita, Y; Okamoto, Y

CHEMICAL PHYSICS 307 ( 2-3 ) 269 - 283 2004年12月27日

ISSN: 0301-0104

DOI
Ni intercalation of titanium diselenide: effect on the lattice, specific heat and magnetic properties

Baranov, NV; Inoue, K; Maksimov, VI; Ovchinnikov, AS; Pleschov, VG; Podlesnyak, A; Titov, AN; Topor … 全著者表示

JOURNAL OF PHYSICS-CONDENSED MATTER 16 ( 50 ) 9243 - 9258 2004年12月22日

ISSN: 0953-8984

DOI
Characteristic near-field spectra of single gold nanoparticles

Imura, K; Nagahara, T; Okamoto, H

CHEMICAL PHYSICS LETTERS 400 ( 4-6 ) 500 - 505 2004年12月21日

ISSN: 0009-2614

DOI
Colloidal gold nanoparticles as catalyst for carbon-carbon bond formation: Application to aerobic homocoupling of phenylboronic acid in water

Tsunoyama, H; Sakurai, H; Ichikuni, N; Negishi, Y; Tsukuda, T

LANGMUIR 20 ( 26 ) 11293 - 11296 2004年12月21日

ISSN: 0743-7463

DOI
Multi-overlap molecular dynamics methods for biomolecular systems

Itoh, SG; Okamoto, Y

CHEMICAL PHYSICS LETTERS 400 ( 4-6 ) 308 - 313 2004年12月21日

ISSN: 0009-2614

DOI
J-model for magnetism and superconductivity of triangular, kagome, and related spin lattice systems

Yamanaka, S; Yamaki, D; Takeda, R; Nagao, H; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 100 ( 6 ) 1179 - 1196 2004年12月20日

ISSN: 0020-7608

DOI
The electronic structure and magnetic property of metal-oxo, porphyrin manganese-oxo, and μ-oxo-bridged manganese porphyrin dimer

Koizumi, K; Shoji, M; Nishiyama, Y; Maruno, Y; Kitagawa, Y; Soda, K; Yamanaka, S; Okumura, M; Yamag … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 100 ( 6 ) 943 - 956 2004年12月20日

ISSN: 0020-7608

DOI
Theoretical studies on effective exchange integrals using spin correlation function analysis and magnetic effective density functional (MEDF) method

Kitagawa, Y; Yamanaka, S; Takeda, R; Shoji, M; Koizumi, K; Nishiyama, Y; Maruno, Y; Kawakami, T; Ok … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 100 ( 6 ) 927 - 936 2004年12月20日

ISSN: 0020-7608

DOI
Theoretical studies on magnetic interaction in one-dimensional spin chains of hydrogen atoms (Hn) and copper bromide (CunBrm)

Kawakami, T; Taniguchi, T; Kitagawa, Y; Matsumoto, T; Kamada, Y; Sugimoto, T; Okumura, M; Yamaguchi … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 100 ( 6 ) 907 - 917 2004年12月20日

ISSN: 0020-7608

DOI
Theory of chemical bonds in metalloenzymes I: Analytical and hybrid-DFT studies on oxo and hydroxo diiron cores

Shoji, M; Nishiyama, Y; Maruno, Y; Koizumi, K; Kitagawa, Y; Yamanaka, S; Kawakami, T; Okumura, M; Y … 全著者表示

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 100 ( 6 ) 887 - 906 2004年12月20日

ISSN: 0020-7608

DOI
Construction of nano-channels based on zinc(II) pyrazine-2-carboxylate complexes

Sunahara, T; Onaka, S; Ito, M; Imai, H; Inoue, K; Ozeki, T

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 24 ) 4882 - 4890 2004年12月17日

ISSN: 1434-1948

DOI
Regioselective carbon-carbon bond cleavage of an open-cage diketone derivative of [60]fullerene by reaction with aromatic hydrazones

Iwamatsu, S; Kuwayama, T; Kobayashi, K; Nagase, S; Murata, S

SYNTHESIS-STUTTGART ( 18 ) 2962 - 2964 2004年12月17日

ISSN: 0039-7881

DOI
Role of Tyr-288 at the dioxygen reduction site of cytochrome bo studied by stable isotope labeling and resonance Raman spectroscopy

Uchida, T; Mogi, T; Nakamura, H; Kitagawa, T

JOURNAL OF BIOLOGICAL CHEMISTRY 279 ( 51 ) 53613 - 53620 2004年12月17日

ISSN: 0021-9258

DOI
Design of wide-gap fluoride heterostructures for deep ultraviolet optical devices

El Ouenzerfi, R; Ono, S; Quema, A; Goto, M; Sakai, M; Sarukura, N; Nishimatsu, T; Terakubo, N; Mizu … 全著者表示

JOURNAL OF APPLIED PHYSICS 96 ( 12 ) 7655 - 7659 2004年12月15日

ISSN: 0021-8979

DOI
Influence of the Mn intercalation on magnetic properties of TiSe2

Maksimov, VI; Baranov, NV; Pleschov, VG; Inoue, K

JOURNAL OF ALLOYS AND COMPOUNDS 384 ( 1-2 ) 33 - 38 2004年12月14日

ISSN: 0925-8388

DOI
Passive mode locking of a mixed garnet Yb:Y3ScAl4O12 ceramic laser

Saikawa, J; Sato, Y; Taira, T; Ikesue, A

APPLIED PHYSICS LETTERS 85 ( 24 ) 5845 - 5847 2004年12月13日

ISSN: 0003-6951

DOI
A large-scale molecular dynamics study of dynamic structure factor and dispersion relation of acoustic mode in liquid and supercritical water

Komatsu, T; Yoshii, N; Miura, S; Okazaki, S

FLUID PHASE EQUILIBRIA 226 345 - 350 2004年12月10日

ISSN: 0378-3812

DOI
The interaction of covalently bound heme with the cytochrome c maturation protein CcmE

Uchida, T; Stevens, JM; Daltrop, O; Harvat, EM; Hong, L; Ferguson, SJ; Kitagawa, T

JOURNAL OF BIOLOGICAL CHEMISTRY 279 ( 50 ) 51981 - 51988 2004年12月10日

ISSN: 0021-9258

DOI
Combination of the replica-exchange Monte Carlo method and the reference interaction site model theory for simulating a peptide molecule in aqueous solution

Mitsutake, A; Kinoshita, M; Okamoto, Y; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 49 ) 19002 - 19012 2004年12月09日

ISSN: 1520-6106

DOI
Electronic spectra of jet-cooled 3-methyl-7-azaindole dimer. Symmetry of the lowest excited electronic state and double-proton transfer

Hara, A; Komoto, Y; Sakota, K; Miyoshi, R; Inokuchi, Y; Ohashi, K; Kubo, K; Yamamoto, E; Mori, A; N … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 49 ) 10789 - 10793 2004年12月09日

ISSN: 1089-5639

DOI
Cyclohexane dehydrogenation catalyst design based on spin polarization effects

Tsuda, M; Diño, WA; Watanabe, S; Nakanishi, H; Kasai, H

JOURNAL OF PHYSICS-CONDENSED MATTER 16 ( 48 ) S5721 - S5724 2004年12月08日

ISSN: 0953-8984

DOI
Short-time Fourier transform analysis of ab initio molecular dynamics simulation:: Collision reaction between NH4+(NH3)2 and NH3

Yamauchi, Y; Nakai, H; Okada, Y

JOURNAL OF CHEMICAL PHYSICS 121 ( 22 ) 11098 - 11103 2004年12月08日

ISSN: 0021-9606

DOI
Novel field-effect transistors based on bis(1,3-dithiol-2-ylidene) compounds with a conjugated spacer group

Morioka, Y; Nishida, JI; Fujiwara, E; Tada, H; Yamashita, Y

CHEMISTRY LETTERS 33 ( 12 ) 1632 - 1633 2004年12月05日

ISSN: 0366-7022

DOI
Redox behavior of new Ru-dioxolene-ammine complexes and catalytic activity toward electrochemical oxidation of alcohol under mild conditions

Hino, T; Wada, T; Fujihara, T; Tanaka, K

CHEMISTRY LETTERS 33 ( 12 ) 1596 - 1597 2004年12月05日

ISSN: 0366-7022

DOI
Thermal stability of mononuclear hydroperoxocopper(II) species. Effects of hydrogen bonding and hydrophobic field

Yamaguchi, S; Wada, A; Nagatomo, S; Kitagawa, T; Jitsukawa, K; Masuda, H

CHEMISTRY LETTERS 33 ( 12 ) 1556 - 1557 2004年12月05日

ISSN: 0366-7022

DOI
Immobilization of a high-valent rhenium complex on an indium-doped tin-oxide electrode:: Enhanced catalytic activity of a trans-dioxorhenium(v) complex in electrochemical oxidation of alcohols

Sugimoto, H; Tsukube, H; Tanaka, K

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY ( 23 ) 4550 - 4553 2004年12月03日

ISSN: 1434-1948

DOI
Functional dependence of core-excitation energies

Takahashi, O; Pettersson, LGM

JOURNAL OF CHEMICAL PHYSICS 121 ( 21 ) 10339 - 10345 2004年12月01日

ISSN: 0021-9606

DOI
Ab initio study on nonlinear optical properties for small dendritic molecules

Yamada, S; Nakano, M; Takahata, M; Kishi, R; Nitta, T; Yamaguchi, K

JOURNAL OF NONLINEAR OPTICAL PHYSICS & MATERIALS 13 ( 3-4 ) 417 - 422 2004年12月

ISSN: 0218-8635

DOI
An N-C-N pincer palladium complex as an efficient catalyst precursor for the Heck reaction

Takenaka, K; Uozumi, Y

ADVANCED SYNTHESIS & CATALYSIS 346 ( 13-15 ) 1693 - 1696 2004年12月

ISSN: 1615-4150

DOI
Development and use of a multichannel (e,2e) spectrometer for electron momentum densities of molecules

Takahashi, M; Udagawa, Y

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 65 ( 12 ) 2055 - 2059 2004年12月

ISSN: 0022-3697

DOI
Features of fluorescence spectra of polyethylene terephthalate films

Ouchi, I; Nakai, I; Ono, M; Kimura, S

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS 43 ( 12 ) 8107 - 8114 2004年12月

ISSN: 0021-4922

DOI
Liquid-gas phase transitions studied by multibaric-multithermal Monte Carlo simulations

Okumura, H; Okamoto, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 12 ) 3304 - 3311 2004年12月

ISSN: 0031-9015

DOI
Magnetic ordering in frustrated Ce5Ni2Si3 -: art. no. 224409

Lee, BK; Ryu, DH; Kim, DY; Hong, JB; Jung, MH; Kitazawa, H; Suzuki, O; Kimura, S; Kwon, YS

PHYSICAL REVIEW B 70 ( 22 ) 2004年12月

ISSN: 2469-9950

DOI
Observation of molecular frame (e,2e) cross section using an electron-electron-fragment ion triple coincidence apparatus

Takahashi, M; Watanabe, N; Khajuria, Y; Nakayama, K; Udagawa, Y; Eland, JHD

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 141 ( 2-3 ) 83 - 93 2004年12月

ISSN: 0368-2048

DOI
Quasiparticle structure in the vicinity of the Heisenberg model in one and higher dimensions

Morita, Y; Hatsugai, Y; Otsuka, Y

PHYSICAL REVIEW B 70 ( 24 ) 2004年12月

ISSN: 2469-9950

DOI
Scanning tunneling microscopy/spectroscopy studies of two isomers of Ce@C82 on Si(111)-(7x7) surfaces -: art. no. 235421

Fujiki, S; Kubozono, Y; Rikiishi, Y; Urisu, T

PHYSICAL REVIEW B 70 ( 23 ) 2004年12月

ISSN: 2469-9950

DOI
Sliding spin-density wave in (TMTSF)2PF6 studied with narrow-band noise -: art. no. 214201

Sekine, T; Satoh, N; Nakazawa, M; Nakamura, T

PHYSICAL REVIEW B 70 ( 21 ) 2004年12月

ISSN: 2469-9950

DOI
Theoretical study of excess Si emitted from Si-oxide/Si interfaces

Kageshima, H; Uematsu, M; Akagi, K; Tsuneyuki, S; Akiyama, T; Shiraishi, K

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 43 ( 12 ) 8223 - 8226 2004年12月

ISSN: 0021-4922

DOI
Theoretical study on the second hyperpolarizability (γ) of a homogeneous molecule in the bond dissociation process: Enhancement of γ in the intermediate correlation regime

Nakano, M; Yamada, S; Kishi, R; Takahata, M; Nitta, T; Yamaguchi, K

JOURNAL OF NONLINEAR OPTICAL PHYSICS & MATERIALS 13 ( 3-4 ) 411 - 416 2004年12月

ISSN: 0218-8635

DOI
A hybrid approach combining energy density analysis with the interaction energy decomposition method

Kawamura, Y; Nakai, H

JOURNAL OF COMPUTATIONAL CHEMISTRY 25 ( 15 ) 1882 - 1887 2004年11月30日

ISSN: 0192-8651

DOI
Fermi surface studies of quasi-1D and quasi-2D organic superconductors using periodic orbit resonance in high magnetic fields

Takahashi, S; Kovalev, AE; Hill, S; Takasaki, S; Yamada, J; Anzai, H; Qualls, JS; Kawano, K; Tamura … 全著者表示

INTERNATIONAL JOURNAL OF MODERN PHYSICS B 18 ( 27-29 ) 3499 - 3504 2004年11月30日

ISSN: 0217-9792

DOI
Aryloxide-based multidentate ligands for early transition metals and f-element metals

Kawaguchi, H; Matsuo, T

JOURNAL OF ORGANOMETALLIC CHEMISTRY 689 ( 24 ) 4228 - 4243 2004年11月29日

ISSN: 0022-328X

DOI
Anomalous magnetic properties and non-Fermi-liquid behaviour in single crystals of the Kondo lattice CeNiGe2-xSix

Kim, DY; Ryu, DH; Hong, JB; Park, JG; Kwon, YS; Jung, MA; Jung, MH; Takeda, N; Ishikawa, M; Kimura, … 全著者表示

JOURNAL OF PHYSICS-CONDENSED MATTER 16 ( 46 ) 8323 - 8334 2004年11月24日

ISSN: 0953-8984

DOI
Oxygen-sensing mechanism of HemAT from Bacillus subtilis:: A resonance Raman spectroscopic study

Ohta, T; Yoshimura, H; Yoshioka, S; Aono, S; Kitagawa, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 46 ) 15000 - 15001 2004年11月24日

ISSN: 0002-7863

DOI
Path integral influence functional theory of dynamics of coherence between vibrational states of solute in condensed phase

Mikami, T; Okazaki, S

JOURNAL OF CHEMICAL PHYSICS 121 ( 20 ) 10052 - 10064 2004年11月22日

ISSN: 0021-9606

DOI
Electronic structure of stacked C60 shuttlecocks

Okada, S; Arita, R; Matsuo, Y; Nakamura, E; Oshiyama, A; Aoki, H

CHEMICAL PHYSICS LETTERS 399 ( 1-3 ) 157 - 161 2004年11月21日

ISSN: 0009-2614

DOI
Extremely slow charge fluctuations in the metallic state of the two-dimensional molecular conductor θ-(BEDT-TTF)2RbZn(SCN)4 -: art. no. 216405

Chiba, R; Hiraki, K; Takahashi, T; Yamamoto, HM; Nakamura, T

PHYSICAL REVIEW LETTERS 93 ( 21 ) 2004年11月19日

ISSN: 0031-9007

DOI
Theoretical study on the photochemical behavior of diphenylacetylene in the low-lying excited states

Amatatsu, Y; Hosokawa, M

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 46 ) 10238 - 10244 2004年11月18日

ISSN: 1089-5639

DOI
Segmental dynamics and self-concentration around chain ends in miscible blend of poly(cyclohexyl methacrylate) and poly(cyclohexyl acrylate) as studied by the spin-label technique

Miwa, Y; Tanabe, T; Yamamoto, K; Sugino, Y; Sakaguchi, M; Sakai, M; Shimada, S

MACROMOLECULES 37 ( 23 ) 8612 - 8617 2004年11月16日

ISSN: 0024-9297

DOI
C100IPR fullerenes:: temperature-dependent relative stabilities based on the Gibbs function

Zhao, X; Goto, H; Slanina, Z

CHEMICAL PHYSICS 306 ( 1-3 ) 93 - 104 2004年11月15日

ISSN: 0301-0104

DOI
Deposition of 10-undecenoic acid self-assembled layers on H-Si(111) surfaces studied with AFM and FT-IR

Li, Y; Tero, R; Nagasawa, T; Nagata, T; Urisu, T

APPLIED SURFACE SCIENCE 238 ( 1-4 ) 238 - 241 2004年11月15日

ISSN: 0169-4332

DOI
Deposition of phospholipid layers on SiO2 surface modified alkyl-SAM islands

Tero, R; Takizawa, M; Li, YJ; Yamazaki, M; Urisu, T

APPLIED SURFACE SCIENCE 238 ( 1-4 ) 218 - 222 2004年11月15日

ISSN: 0169-4332

DOI
Electronic excited states and stabilities of fullerenes:: Isomers of C78 and Mg@C72

Slanina, Z; Uhlík, F; Adamowicz, L; Kobayashi, K; Nagase, S

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 100 ( 4 ) 610 - 616 2004年11月15日

ISSN: 0020-7608

DOI
Force spectroscopy of covalent bond rupture versus protein extraction

Afrin, R; Okazaki, S; Ikai, A

APPLIED SURFACE SCIENCE 238 ( 1-4 ) 47 - 50 2004年11月15日

ISSN: 0169-4332

DOI
Simulation of correlated diffusion of Si and B in thermally grown SiO2

Uematsu, M; Kageshima, H; Takahashi, Y; Fukatsu, S; Itoh, KM; Shiraishi, K

JOURNAL OF APPLIED PHYSICS 96 ( 10 ) 5513 - 5519 2004年11月15日

ISSN: 0021-8979

DOI
Ultrafast excited-state dynamics in photochromic N-salicylideneaniline studied by femtosecond time-resolved REMPI spectroscopy

Okabe, C; Nakabayashi, T; Inokuchi, Y; Nishi, N; Sekiya, H

JOURNAL OF CHEMICAL PHYSICS 121 ( 19 ) 9436 - 9442 2004年11月15日

ISSN: 0021-9606

DOI
Identification of crucial histidines involved in carbon-nitrogen triple bond synthesis by aldoxime dehydratase

Konishi, K; Ishida, K; Oinuma, KI; Ohta, T; Hashimoto, Y; Higashibata, H; Kitagawa, T; Kobayashi, M

JOURNAL OF BIOLOGICAL CHEMISTRY 279 ( 46 ) 47619 - 47625 2004年11月12日

ISSN: 0021-9258

DOI
One-pot synthesis of helical aromatics: Stereoselectivity, stability against racemization, and assignment of absolute configuration assisted by experimental and theoretical circular dichroism

Watanabe, M; Suzuki, H; Tanaka, Y; Ishida, T; Oshikawa, T; Tori-i, A

JOURNAL OF ORGANIC CHEMISTRY 69 ( 23 ) 7794 - 7801 2004年11月12日

ISSN: 0022-3263

DOI
A new approach to simulate the depolymerization process of a two-dimensional hexagonal C60 polymer

Lu, J; Nagase, S; Zhang, S; Peng, LM

CHEMICAL PHYSICS LETTERS 398 ( 4-6 ) 486 - 488 2004年11月11日

ISSN: 0009-2614

DOI
Chemical reactivity and redox property of Sc3@C82

Wakahara, T; Sakuraba, A; Iiduka, Y; Okamura, M; Tsuchiya, T; Maeda, Y; Akasaka, T; Okubo, S; Kato, … 全著者表示

CHEMICAL PHYSICS LETTERS 398 ( 4-6 ) 553 - 556 2004年11月11日

ISSN: 0009-2614

DOI
Toward computation of bulk quadrupolar signals in vibrational sum frequency generation spectroscopy

Morita, A

CHEMICAL PHYSICS LETTERS 398 ( 4-6 ) 361 - 366 2004年11月11日

ISSN: 0009-2614

DOI
Ultraviolet photoelectron spectra of Tb@C82

Iwasaki, K; Wanita, N; Hino, S; Yoshimura, D; Okazaki, T; Shinohara, H

CHEMICAL PHYSICS LETTERS 398 ( 4-6 ) 389 - 392 2004年11月11日

ISSN: 0009-2614

DOI
Sequential coupling of zincated hydrazone, alkenylboronate, and electrophile that creates several contiguous stereogenic centers

Nakamura, M; Hatakeyama, T; Hara, K; Fukudome, H; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 44 ) 14344 - 14345 2004年11月10日

ISSN: 0002-7863

DOI
SOUL in mouse eyes is a new hexameric heme-binding protein with characteristic optical absorption, resonance Raman spectral, and heme-binding properties

Sato, E; Sagami, I; Uchida, T; Sato, A; Kitagawa, T; Igarashi, J; Shimizu, T

BIOCHEMISTRY 43 ( 44 ) 14189 - 14198 2004年11月09日

ISSN: 0006-2960

DOI
Evaluation of canonical and microcanonical nonadiabatic reaction rate constants by using the Zhu-Nakamura formulas

Zhao, Y; Mil'nikov, G; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 121 ( 18 ) 8854 - 8860 2004年11月08日

ISSN: 0021-9606

DOI
Field-effect transistors based on poly(p-phenylenevinylene) derivatives

Muratsubaki, M; Furukawa, Y; Noguchi, T; Ohnishi, T; Fujiwara, E; Tada, H

CHEMISTRY LETTERS 33 ( 11 ) 1480 - 1481 2004年11月05日

ISSN: 0366-7022

DOI
Multiple photofragmentation pathways with different recoil anisotropy from a metal-ion-ligand complex

Misaizu, F; Furuya, A; Tsunoyama, H; Ohno, K

PHYSICAL REVIEW LETTERS 93 ( 19 ) 2004年11月05日

ISSN: 0031-9007

DOI
Reduction of endohedral metallofullerenes: A convenient method for isolation

Tsuchiya, T; Wakahara, T; Shirakura, S; Maeda, Y; Akasaka, T; Kobayashi, K; Nagase, S; Kato, T; Kad … 全著者表示

CHEMISTRY OF MATERIALS 16 ( 22 ) 4343 - 4346 2004年11月02日

ISSN: 0897-4756

DOI
A platinum-ruthenium dinuclear complex bridged by bis(terpyridyl)xanthene

Okamura, R; Wada, T; Aikawa, K; Nagata, T; Tanaka, K

INORGANIC CHEMISTRY 43 ( 22 ) 7210 - 7217 2004年11月01日

ISSN: 0020-1669

DOI
Cluster size effects in core excitons of 1s-excited nitrogen

Flesch, R; Kosugi, N; Bradeanu, IL; Neville, JJ; Rühl, E

JOURNAL OF CHEMICAL PHYSICS 121 ( 17 ) 8343 - 8350 2004年11月01日

ISSN: 0021-9606

DOI
Continuous-wave ultraviolet generation at 354 nm in a periodically poled MgO:LiNbO3 by frequency tripling of a diode end-pumped Nd:GdVO4 microlaser

Mizuuchi, K; Morikawa, A; Sugita, T; Yamamoto, K; Pavel, N; Taira, T

APPLIED PHYSICS LETTERS 85 ( 18 ) 3959 - 3961 2004年11月01日

ISSN: 0003-6951

DOI
High-energy quasi-phase-matched optical parametric oscillation in a 3-mm-thick periodically poled MgO:LiNbO3 device

Ishizuki, H; Shoji, I; Taira, T

OPTICS LETTERS 29 ( 21 ) 2527 - 2529 2004年11月01日

ISSN: 0146-9592

DOI
Oxygen vacancy induced substantial threshold voltage shifts in the Hf-based high-K MISFET with p+poly-Si gates -: A theoretical approach

Shiraishi, K; Yamada, K; Torii, K; Akasaka, Y; Nakajima, K; Konno, M; Chikyow, T; Kitajima, H; Arik … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 43 ( 11A ) L1413 - L1415 2004年11月01日

ISSN: 0021-4922

DOI
Coarse-grained picture for controlling complex quantum systems

Takami, T; Fujisaki, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 11 ) 3215 - 3216 2004年11月

ISSN: 0031-9015

DOI
Direct observation of oscillatory behavior in the surface magnetization of Fe thin films grown on a Ni/Cu(100) film

Amemiya, K; Matsumura, D; Abe, H; Kitagawa, S; Ohta, T; Yokoyama, T

PHYSICAL REVIEW B 70 ( 19 ) 2004年11月

ISSN: 2469-9950

DOI
Effect of Si/SiO2 interface on silicon and boron diffusion in thermally grown SiO2

Fukatsu, S; Itoh, KM; Uematsu, M; Kageshima, H; Takahashi, Y; Shiraish, K

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 43 ( 11B ) 7837 - 7842 2004年11月

ISSN: 0021-4922

DOI
Electronic structures of polyglycine and active sites of cytochrome c oxidase

Kamiya, K; Shiraishi, K; Oshiyama, A

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 11 ) 3198 - 3208 2004年11月

ISSN: 0031-9015

DOI
First-principles analyses of O2 molecules around ultrathin SiO2/Si(100) interface

Akiyama, T; Kageshima, H; Ito, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 43 ( 11B ) 7903 - 7908 2004年11月

ISSN: 0021-4922

DOI
Fluid-fluid transition and negative expansion in 2 step-function molecules system by statistical mechanics

Kataoka, Y; Yamada, Y

MOLECULAR SIMULATION 30 ( 13-15 ) 841 - 846 2004年11月

ISSN: 0892-7022

DOI
Organic metals and superconductors based on BETS (BETS = bis(ethylenedithio)tetraselenafulvalene)

Kobayashi, H; Cui, HB; Kobayashi, A

CHEMICAL REVIEWS 104 ( 11 ) 5265 - 5288 2004年11月

ISSN: 0009-2665

DOI
Rabi dynamics of coupled atomic and molecular Bose-Einstein condensates

Ishkhanyan, A; Chernikov, GP; Nakamura, H

PHYSICAL REVIEW A 70 ( 5 ) 2004年11月

ISSN: 1050-2947

DOI
Single-component molecular metals with extended-TTF dithiolate ligands

Kobayashi, A; Fujiwara, E; Kobayashi, H

CHEMICAL REVIEWS 104 ( 11 ) 5243 - 5264 2004年11月

ISSN: 0009-2665

DOI
Structural, electrical, and magnetic properties of α-(ET)7[MnCl4]2•(1,1,2-C2H3Cl3)2 (ET = bis(ethylenedithio)tetrathiafulvalene)

Naito, T; Inabe, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 77 ( 11 ) 1987 - 1995 2004年11月

ISSN: 0009-2673

DOI
Structure and magnetism of anion iron oxide clusters FenOm- (n=1, 2)

Shiroishi, H; Oda, T; Hamada, I; Fujima, N

MOLECULAR SIMULATION 30 ( 13-15 ) 911 - 915 2004年11月

ISSN: 0892-7022

DOI
Time-resolved scanning near-field optical microscopy with supercontinuum light pulses generated in microstructure fiber

Nagahara, T; Imura, K; Okamoto, H

REVIEW OF SCIENTIFIC INSTRUMENTS 75 ( 11 ) 4528 - 4533 2004年11月

ISSN: 0034-6748

DOI
Vibrational relaxation time of CN- ion in water studied by mixed quantum-classical molecular dynamics:: Comparison with Fermi's golden rule and influence functional theory

Sato, M; Okazaki, S

MOLECULAR SIMULATION 30 ( 13-15 ) 835 - 839 2004年11月

ISSN: 0892-7022

DOI
Hyperconjugative effects in the stereoselective ring-opening reactions of oxetenoxides

Mori, S; Shindo, M

ORGANIC LETTERS 6 ( 22 ) 3945 - 3948 2004年10月28日

ISSN: 1523-7060

DOI
Photochemical sudy of [33](1,3,5)cyclophane and emission spectral poperties of [3n]cyclophanes (n=2-6)

Nogita, R; Matohara, K; Yamaji, M; Oda, T; Sakamoto, Y; Kumagai, T; Lim, C; Yasutake, M; Shimo, T; … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 42 ) 13732 - 13741 2004年10月27日

ISSN: 0002-7863

DOI
Effect of out-of-plane vibration on the hydrogen atom transfer reaction in malonaldehyde

Yagi, K; Mil'nikov, GV; Taketsugu, T; Hirao, K; Nakamura, H

CHEMICAL PHYSICS LETTERS 397 ( 4-6 ) 435 - 440 2004年10月21日

ISSN: 0009-2614

DOI
Microscopic description of a liquid-vapor interface by an inhomogeneous integral equation theory

Omelyan, I; Kovalenko, A; Hirata, F

CHEMICAL PHYSICS LETTERS 397 ( 4-6 ) 368 - 373 2004年10月21日

ISSN: 0009-2614

DOI
Theoretical determination of the electronic mechanisms of 1,3-dipolar cycloaddition reactions of fulminic acid and diazomethane

Sakai, S; Nguyen, MT

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 42 ) 9169 - 9179 2004年10月21日

ISSN: 1089-5639

DOI
A comparative infrared study of H2O reactivity on Si(100)-(2x1), (2x1)-H, (1x1)-H and (3x1)-H surfaces

Rao, GR; Wang, ZH; Watanabe, H; Aoyagi, M; Urisu, T

SURFACE SCIENCE 570 ( 3 ) 178 - 188 2004年10月20日

ISSN: 0039-6028

DOI
Direct generation of Ti-enolate of α-CF3 ketone:: Theoretical study and high-yielding and diastereoselective aldol reaction

Itoh, Y; Yamanaka, M; Mikami, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 41 ) 13174 - 13175 2004年10月20日

ISSN: 0002-7863

DOI
Ferromagnetism in one-dimensional vanadium-benzene sandwich clusters

Miyajima, K; Nakajima, A; Yabushita, S; Knickelbein, MB; Kaya, K

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 41 ) 13202 - 13203 2004年10月20日

ISSN: 0002-7863

DOI
Isolation of a Se-nitrososelenol:: A new class of reactive nitrogen species relevant to protein Se-nitrosation

Shimada, K; Goto, K; Kawashima, T; Takagi, N; Choe, YK; Nagase, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 41 ) 13238 - 13239 2004年10月20日

ISSN: 0002-7863

DOI
Molecular motion of peroxy radicals at ends of isolated and nonisolated polyethylene chains tethered on powder surface of poly(tetrafluoroethylene) in a vacuum

Sakaguchi, M; Yamamoto, K; Miwa, Y; Hara, S; Sugino, Y; Okamoto, S; Sakai, M; Shimada, S

MACROMOLECULES 37 ( 21 ) 8128 - 8134 2004年10月19日

ISSN: 0024-9297

DOI
Infrared and Raman studies of TTM-TTP and TSM-TTP charge-transfer salts

Swietlik, R; Yakushi, K; Yamamoto, K; Kawamoto, T; Mori, T

JOURNAL OF MOLECULAR STRUCTURE 704 ( 1-3 ) 89 - 93 2004年10月18日

ISSN: 0022-2860

DOI
In situ observations of tetraamineplatinum(II) hydroxide adsorption from its aqueous solution on heulandite (010) surface by atomic force microscopy

Komiyama, M; Li, YJ; Gu, N

APPLIED SURFACE SCIENCE 237 ( 1-4 ) 503 - 508 2004年10月15日

ISSN: 0169-4332

DOI
Local structural change caused by light irradiation on TiO2(110) surface observed by scanning tunneling microscopy

Li, YJ; Matsumoto, T; Gu, N; Komiyama, M

APPLIED SURFACE SCIENCE 237 ( 1-4 ) 374 - 379 2004年10月15日

ISSN: 0169-4332

DOI
Room temperature adsorption of NH3 on Zn-terminated ZnO(0001)

Hasegawa, T; Shirotori, Y; Ozawa, K; Edamoto, K; Takahashi, K

APPLIED SURFACE SCIENCE 237 ( 1-4 ) 352 - 357 2004年10月15日

ISSN: 0169-4332

DOI
Analysis of the ultraviolet absorption cross sections of six isotopically substituted nitrous oxide species using 3D wave packet propagation

Nanbu, S; Johnson, MS

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 41 ) 8905 - 8913 2004年10月14日

ISSN: 1089-5639

DOI
Full quantum dynamics of atom-diatom chemical reactions in hyperspherical elliptic coordinates

Kamisaka, H; Tolstikhin, OI; Nakamura, H

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 41 ) 8827 - 8839 2004年10月14日

ISSN: 1089-5639

DOI
L-shaped three-center two-electron (C-C-C)+ bonding array

Yoshikai, N; Ammal, SC; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 40 ) 12941 - 12948 2004年10月13日

ISSN: 0002-7863

DOI
Plasmon mode imaging of single gold nanorods

Imura, K; Nagahara, T; Okamoto, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 40 ) 12730 - 12731 2004年10月13日

ISSN: 0002-7863

DOI
1,6,7-trigermabicyclo[4.1.0]hept-3-en-7-yl: The isolable bicyclic germyl radical

Ishida, Y; Sekiguchi, A; Kobayashi, K; Nagase, S

ORGANOMETALLICS 23 ( 21 ) 4891 - 4896 2004年10月11日

ISSN: 0276-7333

DOI
Theoretical studies on the substituent effects for concerted and stepwise mechanisms of the Diels-Alder reaction between butadiene and ethylene

Sakai, S; Okumura, T

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 685 ( 1-3 ) 89 - 95 2004年10月11日

ISSN: 0166-1280

DOI
Ultraviolet photoelectron spectra of Ti2@C80

Iwasaki, K; Hino, S; Yoshimura, D; Cao, BP; Okazaki, T; Shinohara, H

CHEMICAL PHYSICS LETTERS 397 ( 1-3 ) 169 - 173 2004年10月11日

ISSN: 0009-2614

DOI
Biscopper complexes of meso-aryl-substituted hexaphyrin:: Gable structures and varying antiferromagnetic coupling

Shimizu, S; Anand, VG; Taniguchi, R; Furukawa, K; Kato, T; Yokoyama, T; Osuka, A

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 39 ) 12280 - 12281 2004年10月06日

ISSN: 0002-7863

DOI
Mechanism of substitution reaction on sp2-carbon center with lithium organocuprate

Yoshikai, N; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 39 ) 12264 - 12265 2004年10月06日

ISSN: 0002-7863

DOI
A novel Au12 supramolecule composed of two-, three-, and four-coordinated Au(I) centers constructed on the S3 scaffolding

Nunokawa, K; Sunahara, T; Onaka, S; Okazaki, K; Imai, H; Inoue, K; Ozeki, T

CHEMISTRY LETTERS 33 ( 10 ) 1300 - 1301 2004年10月05日

ISSN: 0366-7022

DOI
Angle-resolved, mass-selected ion spectroscopy of carbon K-shell excited CF3CCH

Okada, K; Tanimoto, S; Ibuki, T; Haga, Y; Gejo, T; Saito, K; Ohno, K

CHEMICAL PHYSICS 304 ( 3 ) 273 - 279 2004年10月04日

ISSN: 0301-0104

DOI
Dynamic coordination polymers with 4,4′-oxybis(benzoate):: Reversible transformations of nano- and nonporous coordination frameworks responding to present solvents

Kondo, M; Irie, Y; Shimizu, Y; Miyazawa, M; Kawaguchi, H; Nakamura, A; Naito, T; Maeda, K; Uchida, F

INORGANIC CHEMISTRY 43 ( 20 ) 6139 - 6141 2004年10月04日

ISSN: 0020-1669

DOI
PS-PEG resin-supported palladium-MOP complexes.: Application in asymmetric π-allylic reduction

Hocke, H; Uozumi, Y

TETRAHEDRON 60 ( 41 ) 9297 - 9306 2004年10月04日

ISSN: 0040-4020

DOI
Synthesis, structure, and physical properties of a new organic conductor based on a π-extended donor containing a stable 2,2,5,5-tetramethyl-1-pyrrolidinyloxy radical

Fujiwara, H; Lee, HJ; Cui, HB; Kobayashi, H; Fujiwara, E; Kobayashi, A

ADVANCED MATERIALS 16 ( 19 ) 1765 - + 2004年10月04日

ISSN: 0935-9648

DOI
Continuous-wave deep blue generation in a periodically poled MgO:LiNbO3 crystal by single-pass frequency doubling of a 912-nm Nd:GdVO4 laser

Mizuuchi, K; Morikawa, A; Sugita, T; Yamamoto, K; Pavel, N; Taira, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 43 ( 10A ) L1293 - L1295 2004年10月01日

ISSN: 0021-4922

DOI
Ab initio study of H2 desorption from magnesium hydride MgH2 cluster

Tsuda, M; Diño, WA; Nakanishi, H; Kasai, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 10 ) 2628 - 2630 2004年10月

ISSN: 0031-9015

DOI
Continuous-wave high-power Nd:YAG-KNbO3 laser at 473 nm

Pavel, N; Shoji, I; Taira, T

OPTICS AND LASER TECHNOLOGY 36 ( 7 ) 581 - 585 2004年10月

ISSN: 0030-3992

DOI
Fermi surface in magnetic-field-induced superconductor κ-(BETS)2FeBr4

Konoike, T; Fujiwara, H; Zhang, B; Kobayashi, H; Nishimura, M; Yasuzuka, S; Enomoto, K; Uji, S

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 412 107 - 110 2004年10月

ISSN: 0921-4534

DOI
Infrared micro spectroscopy station at BL43IR of SPring-8

Ikemoto, Y; Moriwaki, T; Hirono, T; Kimura, S; Shinoda, K; Matsunami, M; Nagai, N; Nanba, T; Kobaya … 全著者表示

INFRARED PHYSICS & TECHNOLOGY 45 ( 5-6 ) 369 - 373 2004年10月

ISSN: 1350-4495

DOI
Noncollinear magnetism in liquid oxygen: A first-principles molecular dynamics study

Oda, T; Pasquarello, A

PHYSICAL REVIEW B 70 ( 13 ) 2004年10月

ISSN: 2469-9950

DOI
Phase transition in a one-dimensional extended Peierls-Hubbard model with a pulse of oscillating electric field: I. Threshold behavior in ionic-to-neutral transition

Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 10 ) 2868 - 2878 2004年10月

ISSN: 0031-9015

DOI
Phase transition in a one-dimensional extended Peierls-Hubbard model with a pulse of oscillating electric field: II. Linear behavior in neutral-to-ionic transition

Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 10 ) 2879 - 2886 2004年10月

ISSN: 0031-9015

DOI
Phase transition in a one-dimensional extended Peierls-Hubbard model with a pulse of oscillating electric field: III. Interference caused by a double pulse

Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 10 ) 2887 - 2893 2004年10月

ISSN: 0031-9015

DOI
Quantum chemical studies on the pairing mechanism of high Tc cuprates

Tanaka, J

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS 412 166 - 170 2004年10月

ISSN: 0921-4534

DOI
Theoretical analysis of the bias-voltage dependence of the apparent barrier height

Totsuka, H; Gohda, Y; Furuya, S; Watanabe, S

PHYSICAL REVIEW B 70 ( 15 ) 2004年10月

ISSN: 2469-9950

DOI
Time-of-flight neutron powder diffraction studies on a chiral two-dimensional molecule-based magnet

Hoshikawa, A; Kamiyama, T; Purwanto, A; Ohishi, K; Higemoto, W; Ishigaki, T; Imai, H; Inoue, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 10 ) 2597 - 2600 2004年10月

ISSN: 0031-9015

DOI
Fullerenols revisited as stable radical anions

Husebo, LO; Sitharaman, B; Furukawa, K; Kato, T; Wilson, LJ

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 38 ) 12055 - 12064 2004年09月29日

ISSN: 0002-7863

DOI
Theoretical study on the photochromic cycloreversion reactions of dithienylethenes; on the role of the conical intersections

Asano, Y; Murakami, A; Kobayashi, T; Goldberg, A; Guillaumont, D; Yabushita, S; Irie, M; Nakamura, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 38 ) 12112 - 12120 2004年09月29日

ISSN: 0002-7863

DOI
α-alkylation of ketones by addition of zinc enamides to unactivated olefins

Nakamura, M; Hatakeyama, T; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 38 ) 11820 - 11825 2004年09月29日

ISSN: 0002-7863

DOI
Computations on C84O: thermodynamic, kinetic and photochemical stability

Slanina, Z; Uhlík, F; Juha, L; Tanabe, K; Adamowicz, L; Osawa, E

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 684 ( 1-3 ) 129 - 133 2004年09月27日

ISSN: 0166-1280

DOI
Laser field designing by evolutionary algorithm for coherent control of molecular dynamics

Sugawara, M; Yamanouchi, M; Yabushita, S

CHEMICAL PHYSICS LETTERS 396 ( 1-3 ) 136 - 141 2004年09月21日

ISSN: 0009-2614

DOI
A new redox-active coordination polymer with cobalticinium dicarboxylate

Kondo, M; Hayakawa, Y; Miyazawa, M; Oyama, A; Unoura, K; Kawaguchi, H; Naito, T; Maeda, K; Uchida, F

INORGANIC CHEMISTRY 43 ( 19 ) 5801 - 5803 2004年09月20日

ISSN: 0020-1669

DOI
Photoelectron fine structures of uppermost valence band for well-characterized ClAl-phthalocyanine ultrathin film: UPS and MAES study

Kera, S; Yamane, H; Honda, H; Fukagawa, H; Okudaira, KK; Ueno, N

SURFACE SCIENCE 566 571 - 578 2004年09月20日

ISSN: 0039-6028

DOI
Frustration-induced η inversion in the S=1/2 bond-alternating spin chain -: art. no. 127203

Maeshima, N; Okunishi, K; Okamoto, K; Sakai, T

PHYSICAL REVIEW LETTERS 93 ( 12 ) 2004年09月17日

ISSN: 0031-9007

DOI
Multifrequency EPR study of metallofullerenes:: Eu@C82 and Eu@C74

Matsuoka, H; Ozawa, N; Kodama, T; Nishikawa, H; Ikemoto, I; Kikuchi, K; Furukawa, K; Sato, K; Shiom … 全著者表示

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 37 ) 13972 - 13976 2004年09月16日

ISSN: 1520-6106

DOI
Computations of the catalytic effects in the Stone-Wales fullerene isomerizations: N and CN agents

Slanina, Z; Uhlík, F; Adamowicz, L; Lee, SL

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 99 ( 5 ) 634 - 639 2004年09月15日

ISSN: 0020-7608

DOI
Computing enthalpy-entropy interplay for isomeric fullerenes

Slanina, Z; Zhao, X; Uhlík, F; Lee, SL; Adamowicz, L

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 99 ( 5 ) 640 - 653 2004年09月15日

ISSN: 0020-7608

DOI
Design proposal of light emitting diode in vacuum ultraviolet based on perovskite-like fluoride crystals

El Ouenzerfi, R; Ono, S; Quema, A; Goto, M; Sarukura, N; Nishimatsu, T; Terakubo, N; Mizuseki, H; K … 全著者表示

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 43 ( 9A-B ) L1140 - L1143 2004年09月15日

ISSN: 0021-4922

DOI
Formation of protein crystals (orthorhombic lysozyme) in quasi-microgravity environment obtained by superconducting magnet

Yin, DC; Wakayama, NI; Harata, K; Fujiwara, M; Kiyoshi, T; Wada, H; Niimura, N; Arai, S; Huang, WD; … 全著者表示

JOURNAL OF CRYSTAL GROWTH 270 ( 1-2 ) 184 - 191 2004年09月15日

ISSN: 0022-0248

DOI
Para- to antiferro-magnetic phase transition of CeSb studied by ultrahigh-resolution angle-resolved photoemission spectroscopy

Ito, T; Kimura, S; Kitazawa, H

PHYSICA B-CONDENSED MATTER 351 ( 3-4 ) 268 - 270 2004年09月15日

ISSN: 0921-4526

DOI
Hidden-crossing mechanism of rotational excitation of H2O by electric pulse

Mil'nikov, GV; Nakamura, H; Solov'ev, EA

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 37 ( 17 ) 3419 - 3426 2004年09月14日

ISSN: 0953-4075

DOI
Absorption, emission spectrum properties, and efficient laser performances of Yb:Y3ScAl4O12 ceramics

Saikawa, J; Sato, Y; Taira, T; Ikesue, A

APPLIED PHYSICS LETTERS 85 ( 11 ) 1898 - 1900 2004年09月13日

ISSN: 0003-6951

DOI
Counterion-driven spontaneous polymerization of the linear C60n- chains in the fcc fullerides and its magic number behavior

Jing, L; Nagase, S; Shuang, Z; Peng, LM

CHEMICAL PHYSICS LETTERS 395 ( 4-6 ) 199 - 204 2004年09月11日

ISSN: 0009-2614

DOI
Amphoteric and controllable doping of carbon nanotubes by encapsulation of organic and organometallic molecules

Lu, J; Nagase, S; Yu, DP; Ye, HQ; Han, RS; Gao, ZX; Zhang, S; Peng, LM

PHYSICAL REVIEW LETTERS 93 ( 11 ) 2004年09月10日

ISSN: 0031-9007

DOI
Synthesis and crystal structures of mono- and dinuclear silver(I) complexes bearing 1,8-naphthyridine ligand

Koizumi, T; Tanaka, K

INORGANICA CHIMICA ACTA 357 ( 12 ) 3666 - 3672 2004年09月10日

ISSN: 0020-1693

DOI
Energy density analysis of cluster size dependence of surface-molecule interactions:: H2, C2H2, C2H4, and CO adsorption onto Si(100)-(2x1) surface

Nakai, H; Katouda, M; Kawamura, Y

JOURNAL OF CHEMICAL PHYSICS 121 ( 10 ) 4893 - 4900 2004年09月08日

ISSN: 0021-9606

DOI
Mechanism and ligand-transfer selectivity of 1,2-addition of organozincate complexes to aldehyde

Uchiyama, M; Nakamura, S; Ohwada, T; Nakamura, M; Nakamura, E

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 35 ) 10897 - 10903 2004年09月08日

ISSN: 0002-7863

DOI
Reactivity of amido ligands on a dinuclear Ru(II) center: Formation of imido complexes and C-N coupling reaction with alkyne

Takemoto, S; Kobayashi, T; Matsuzaka, H

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 35 ) 10802 - 10803 2004年09月08日

ISSN: 0002-7863

DOI
Steric and hydrogen-bonding effects on the stability of copper complexes with small molecules

Wada, A; Honda, Y; Yamaguchi, S; Nagatomo, S; Kitagawa, T; Jitsukawa, K; Masuda, H

INORGANIC CHEMISTRY 43 ( 18 ) 5725 - 5735 2004年09月06日

ISSN: 0020-1669

DOI
Characterization and field-effect transistor performance of heterocyclic oligomers containing a thiazolothiazole unit

Ando, S; Nishida, J; Fujiwara, E; Tada, H; Inoue, Y; Tokito, S; Yamashita, Y

CHEMISTRY LETTERS 33 ( 9 ) 1170 - 1171 2004年09月05日

ISSN: 0366-7022

DOI
Low-voltage organic field-effect transistors with a gate insulator of Ta2O5 formed by sputtering

Sakai, H; Furukawa, Y; Fujiwara, E; Tada, H

CHEMISTRY LETTERS 33 ( 9 ) 1172 - 1173 2004年09月05日

ISSN: 0366-7022

DOI
Quantum-phase dynamics of molecular systems interacting with a two-mode squeezed vacuum field: Detuning effects

Nakano, M; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 99 ( 4 ) 421 - 430 2004年09月05日

ISSN: 0020-7608

DOI
Vibrational interactions in the amide I subspace of the oligomers and hydration clusters of N-methylacetamide

Torii, H

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 35 ) 7272 - 7280 2004年09月02日

ISSN: 1089-5639

DOI
Laser jet spectra of methyl 3-chlorobenzoate

Hirano, A; Tsumanuma, H; Kishi, K; Egawa, T

JOURNAL OF MOLECULAR STRUCTURE 701 ( 1-3 ) 9 - 11 2004年09月01日

ISSN: 0022-2860

DOI
New recurrence relations for the rapid evaluation of electron repulsion integrals based on the accompanying coordinate expansion formula

Kobayashi, M; Nakai, H

JOURNAL OF CHEMICAL PHYSICS 121 ( 9 ) 4050 - 4058 2004年09月01日

ISSN: 0021-9606

DOI
Observation of three-dimensional fermi surfaces in a single-component molecular metal, [Ni(tmdt)2]

Tanaka, H; Tokumoto, M; Ishibashi, S; Graf, D; Choi, ES; Brooks, JS; Yasuzuka, S; Okano, Y; Kobayas … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 34 ) 10518 - 10519 2004年09月01日

ISSN: 0002-7863

DOI
Solvation thermodynamics of protein studied by the 3D-RISM theory

Imai, T; Kovalenko, A; Hirata, F

CHEMICAL PHYSICS LETTERS 395 ( 1-3 ) 1 - 6 2004年09月01日

ISSN: 0009-2614

DOI
Classification and prediction of low-energy membrane protein helix configurations by replica-exchange Monte Carlo method

Kokubo, H; Okamoto, Y

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 9 ) 2571 - 2585 2004年09月

ISSN: 0031-9015

DOI
Growth and scintillation properties of Yb doped aluminate, vanadate and silicate single crystals

Yoshikawa, A; Ogino, H; Shim, JB; Kochurikin, VV; Nikl, M; Solovieva, N; Ono, S; Sarukura, N; Kikuc … 全著者表示

OPTICAL MATERIALS 26 ( 4 ) 529 - 534 2004年09月

ISSN: 0925-3467

DOI
Infrared and Raman evidence for the charge-ordering in β"-(BEDT-TTF)3(ReO4)2 -: art. no. 125102

Yamamoto, T; Uruichi, M; Yakushi, K; Yamaura, J; Tajima, H

PHYSICAL REVIEW B 70 ( 12 ) 2004年09月

ISSN: 2469-9950

DOI
Protein force-field parameters optimized with the protein data bank. I. Force-field optimizations

Sakae, Y; Okamoto, Y

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 3 ( 3 ) 339 - 358 2004年09月

ISSN: 0219-6336

DOI
Protein force-field parameters optimized with the protein data bank. II. Comparisons of force fields by folding simulations of short peptides

Sakae, Y; Okamoto, Y

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 3 ( 3 ) 359 - 378 2004年09月

ISSN: 0219-6336

DOI
Second-order Monte Carlo wave-function approach to the relaxation effects on ringing revivals in a molecular system interacting with a strongly squeezed coherent field

Nakano, M; Kishi, R; Nitta, T; Yamaguchi, K

PHYSICAL REVIEW A 70 ( 3 ) 2004年09月

ISSN: 1050-2947

DOI
Structure and magnetic properties of the single-molecule magnet [Mn11CrO12(O2CCH3)16(H2O)4]•2CH3COOH•4H2O:: Magnetization manipulation and dipolar-biased tunneling in a Mn11Cr/Mn12 mixed crystal -: art. no. 104427

Hachisuka, H; Awaga, K; Yokoyama, T; Kubo, T; Goto, T; Nojiri, H

PHYSICAL REVIEW B 70 ( 10 ) 2004年09月

ISSN: 1098-0121

DOI
Theoretical studies on electronic states of Rh-C60.: Possibility of a room-temperature organic ferromagnet

Nakano, S; Kitagawa, Y; Kawakami, T; Okumura, M; Nagao, H; Yamaguchi, K

MOLECULES 9 ( 9 ) 792 - 807 2004年09月

DOI
Lipid membrane formation by vesicle fusion on silicon dioxide surfaces modified with alkyl self-assembled monolayer islands

Tero, R; Takizawa, M; Li, YJ; Yamazaki, M; Urisu, T

LANGMUIR 20 ( 18 ) 7526 - 7531 2004年08月31日

ISSN: 0743-7463

DOI
Electronic structure of bases in DNA duplexes characterized by resonant photoemission spectroscopy near the Fermi level

Kato, HS; Furukawa, M; Kawai, M; Taniguchi, M; Kawai, T; Hatsui, T; Kosugi, N

PHYSICAL REVIEW LETTERS 93 ( 8 ) 2004年08月20日

ISSN: 0031-9007

DOI
Activation mechanisms of transcriptional regulator CooA revealed by small-angle X-ray scattering

Akiyama, S; Fujisawa, T; Ishimori, K; Morishima, I; Aon, S

JOURNAL OF MOLECULAR BIOLOGY 341 ( 3 ) 651 - 668 2004年08月13日

ISSN: 0022-2836

DOI
Electron spin resonance study on dynamic heterogeneity in miscible blend of poly(cyclohexyl methacrylate) and poly(cyclohexyl acrylate)

Miwa, Y; Sugino, Y; Yamamoto, K; Tanabe, T; Sakaguchi, M; Sakai, M; Shimada, S

MACROMOLECULES 37 ( 16 ) 6061 - 6068 2004年08月10日

ISSN: 0024-9297

DOI
A verification of the photolytic decomposition pathways of 3-tert-butyl-3-chlorodiazirine based on the application of the C60 probe technique

Ishitsuka, MO; Niino, Y; Wakahara, T; Akasaka, T; Liu, MTH; Kobayashi, K; Nagase, S

TETRAHEDRON LETTERS 45 ( 33 ) 6321 - 6322 2004年08月09日

ISSN: 0040-4039

DOI
Replica-exchange extensions of simulated tempering method

Mitsutake, A; Okamoto, Y

JOURNAL OF CHEMICAL PHYSICS 121 ( 6 ) 2491 - 2504 2004年08月08日

ISSN: 0021-9606

DOI
Model complexes of the active site of galactose oxidase. Effects of the metal ion binding sites

Taki, M; Hattori, H; Osako, T; Nagatomo, S; Shiro, M; Kitagawa, T; Itoh, S

INORGANICA CHIMICA ACTA 357 ( 11 ) 3369 - 3381 2004年08月05日

ISSN: 0020-1693

DOI
Novel π-extended donors containing a 2,2,5,5-tetramethylpyrrolin-1-yloxyl radical designed for magnetic molecular conductors

Fujiwara, E; Kobayashi, A; Fujiwara, H; Sugimoto, T; Kobayashi, H

CHEMISTRY LETTERS 33 ( 8 ) 964 - 965 2004年08月05日

ISSN: 0366-7022

DOI
Synthesis, magnetic properties and MCD spectra of a four coordinate copper(II) complex with two chelated phenolate-substituted imino nitroxides

Kanda, H; Narumi, Y; Hosokoshi, Y; Suzuki, T; Kawata, S; Kindo, K; Inoue, K; Kaizaki, S

INORGANICA CHIMICA ACTA 357 ( 11 ) 3125 - 3133 2004年08月05日

ISSN: 0020-1693

DOI
Theoretical study on electronic and solvent reorganization associated with a charging process of organic compounds. 2. A new decomposition procedure into electrostatic and nonelectrostatic responses

Sato, H; Kobori, Y; Tero-Kubota, S; Hirata, F

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 31 ) 11709 - 11715 2004年08月05日

ISSN: 1520-6106

DOI
Isolation, characterization, and theoretical study of La2@C78

Cao, BP; Wakahara, T; Tsuchiya, T; Kondo, M; Maeda, Y; Rahman, GMA; Akasaka, T; Kobayashi, K; Nagas … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 30 ) 9164 - 9165 2004年08月04日

ISSN: 0002-7863

DOI
Physical origin of magnetically induced periodic structure observed in terahertz radiation spectrum emitted from InAs

Takahashi, H; Quema, A; Goto, M; Ono, S; Sarukura, N; Nishijima, G; Watanabe, K

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 43 ( 8A ) L1017 - L1019 2004年08月01日

ISSN: 0021-4922

DOI
Structure-property relation in two-photon absorption for symmetric molecules involving diacetylene π-conjugated bridge

Kishi, R; Nakano, M; Yamada, S; Kamada, K; Ohta, K; Nitta, T; Yamaguchi, K

CHEMICAL PHYSICS LETTERS 393 ( 4-6 ) 437 - 441 2004年08月01日

ISSN: 0009-2614

DOI
The investigation of excited states of Xe atoms and dimers by synchronization of FEL and SR pulses at UVSOR

Gejo, T; Shigemasa, E; Nakamura, E; Hosaka, M; Koda, S; Mochihashi, A; Katoh, M; Yamazaki, J; Hayas … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 528 ( 1-2 ) 627 - 631 2004年08月01日

ISSN: 0168-9002

DOI
Theoretical calculations of effective exchange integrals by spin projected and unprojected broken-symmetry methods.: III.: Cluster models of three-dimensional KNiF3 solid

Onishi, T; Yamaguchi, K

JOURNAL OF CHEMICAL PHYSICS 121 ( 5 ) 2199 - 2207 2004年08月01日

ISSN: 0021-9606

DOI
Upgrade of the UVSOR storage ring FEL

Hosaka, M; Katoh, M; Mochihashi, A; Yamazaki, J; Hayashi, K; Takashima, Y

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 528 ( 1-2 ) 291 - 295 2004年08月01日

ISSN: 0168-9002

DOI
Calculation of ozone generation in AC corona discharge reactor

Yehia, A; Mizuno, A; El-Osealy, MAM

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS 43 ( 8A ) 5558 - 5561 2004年08月

ISSN: 0021-4922

DOI
Change of electronic structure induced by magnetic transitions in CeBi

Kimura, S; Okuno, M; Kitazawa, H; Ishiyama, F; Sakai, O

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 8 ) 2041 - 2044 2004年08月

ISSN: 0031-9015

DOI
Impact of an interface dipole layer on molecular level alignment at an organic-conductor interface studied by ultraviolet photoemission spectroscopy

Kera, S; Yabuuchi, Y; Yamane, H; Setoyama, H; Okudaira, KK; Kahn, A; Ueno, N

PHYSICAL REVIEW B 70 ( 8 ) 2004年08月

ISSN: 2469-9950

DOI
Infrared and Raman study of the charge-ordered state of θ-(ET)2Cu2CN[N(CN)2]2

Yamamoto, T; Yakushi, K; Shimizu, Y; Saito, G

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 8 ) 2326 - 2332 2004年08月

ISSN: 0031-9015

DOI
Optical characterization of 2kF bond-charge-density wave in quasi-one-dimensional 3/4-filled (EDO-TTF)2X (X=PF6 and AsF6) -: art. no. 075107

Drozdova, O; Yakushi, K; Yamamoto, K; Ota, A; Yamochi, H; Saito, G; Tashiro, H; Tanner, DB

PHYSICAL REVIEW B 70 ( 7 ) 2004年08月

ISSN: 2469-9950

DOI
Possible origin of carrier doping into DNA

Kino, H; Tateno, M; Boero, M; Torres, JA; Ohno, T; Terakura, K; Fukuyama, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 8 ) 2089 - 2092 2004年08月

ISSN: 0031-9015

DOI
Prediction of thermal properties and effect of OH substituent for poly(vinyl alcohol)s by molecular dynamics calculations

Tsuchiya, Y; Yoshii, N; Iwatsubo, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS 43 ( 8A ) 5676 - 5681 2004年08月

ISSN: 0021-4922

DOI
High density amorphous form and polyamorphic transformations of silicon

Morishita, T

PHYSICAL REVIEW LETTERS 93 ( 5 ) 2004年07月30日

ISSN: 0031-9007

DOI
Mode-coupling analysis of the translational and rotational diffusion of polar liquids; acetonitrile and water

Yamaguchi, T; Chong, SH; Hirata, F

JOURNAL OF MOLECULAR LIQUIDS 112 ( 3 ) 117 - 124 2004年07月30日

ISSN: 0167-7322

DOI
Refolding processes of cytochrome P450cam from ferric and ferrous acid forms to the native conformation -: Formations of folding intermediates with non-native heme coordination state

Egawa, T; Hishiki, T; Ichikawa, Y; Kanamori, Y; Shimada, H; Takahashi, S; Kitagawa, T; Ishimura, Y

JOURNAL OF BIOLOGICAL CHEMISTRY 279 ( 31 ) 32008 - 32017 2004年07月30日

ISSN: 0021-9258

DOI
Theoretical study on compound I formation in monooxygenation mechanism by cytochrome P450

Hata, M; Hirano, Y; Hoshino, T; Nishida, R; Tsuda, M

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 30 ) 11189 - 11195 2004年07月29日

ISSN: 1520-6106

DOI
Superexchange electron tunneling mediated by solvent molecules: Pulsed electron paramagnetic resonance study on electronic coupling in solvent-separated radical ion pairs

Kobori, Y; Yago, T; Akiyama, K; Tero-Kubota, S; Sato, H; Hirata, F; Norris, JR

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 29 ) 10226 - 10240 2004年07月22日

ISSN: 1520-6106

DOI
Atomic quadrupolar effect in the methanol-CCl4 and water-CCl4 intermolecular interactions

Torii, H

CHEMICAL PHYSICS LETTERS 393 ( 1-3 ) 153 - 158 2004年07月21日

ISSN: 0009-2614

DOI
Infrared photodissociation spectroscopy of Mg+(NH3)n (n=3-6):: direct coordination or solvation through hydrogen bonding

Ohashi, K; Terabaru, K; Inokuchi, Y; Mune, Y; Machinaga, H; Nishi, N; Sekiya, H

CHEMICAL PHYSICS LETTERS 393 ( 1-3 ) 264 - 270 2004年07月21日

ISSN: 0009-2614

DOI
Investigation of carbon contamination on SR-irradiated devices

Naito, T; Tadano, M; Terunuma, N; Urakawa, J; Nakamura, E; Hasumoto, M; Sakai, H; Shibuya, T; Sakai … 全著者表示

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT 527 ( 3 ) 624 - 631 2004年07月21日

ISSN: 0168-9002

DOI
A dinuclear ruthenium(II) chelating amido complex: Synthesis, characterization, and coupling reaction with carbon monoxide

Takemoto, S; Oshio, S; Kobayashi, T; Matsuzaka, H; Hoshi, M; Okimura, H; Yamashita, M; Miyasaka, H; … 全著者表示

ORGANOMETALLICS 23 ( 15 ) 3587 - 3589 2004年07月19日

ISSN: 0276-7333

DOI
Photoionization efficiency curve measurements of alkali metal atom-methyl propiolate clusters: Observation of intracluster cyclotrimerization products

Tsunoyama, H; Misaizu, F; Ohno, K

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 28 ) 5944 - 5949 2004年07月15日

ISSN: 1089-5639

DOI
Singular value decomposition applied to the compression of T3 amplitude for the coupled cluster method

Hino, O; Kinoshita, T; Bartlett, RJ

JOURNAL OF CHEMICAL PHYSICS 121 ( 3 ) 1206 - 1213 2004年07月15日

ISSN: 0021-9606

DOI
Autoionization selectivity of Ne+ Rydberg states converging to Ne2+(1Se)

Hikosaka, Y; Aoto, T; Shigemasa, E; Ito, K

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 37 ( 13 ) 2823 - 2828 2004年07月14日

ISSN: 0953-4075

DOI
1-D cobalt(II) spin transition compound with strong interchain interaction:: [Co(pyterpy)Cl2]•X

Hayami, S; Hashiguchi, K; Juhasz, G; Ohba, M; Okawa, H; Maeda, Y; Kato, K; Osaka, K; Takata, M; Ino … 全著者表示

INORGANIC CHEMISTRY 43 ( 14 ) 4124 - 4126 2004年07月12日

ISSN: 0020-1669

DOI
Theoretical study of the singlet and triplet vertical electronic transitions of styrene by the symmetry adapted cluster-configuration interaction method\

Wan, J; Nakatsuji, H

CHEMICAL PHYSICS 302 ( 1-3 ) 125 - 134 2004年07月12日

ISSN: 0301-0104

DOI
High-pressure UV spectroscopy on oxygen up to 1.5 GPa

Akahama, Y; Kawamura, H

CHEMICAL PHYSICS LETTERS 392 ( 4-6 ) 476 - 479 2004年07月11日

ISSN: 0009-2614

DOI
Reactivity of molecular oxygen: conversion of methanol to formate at low temperatures on Pt(111)

Sawada, T; Liu, ZX; Takagi, N; Watanabe, K; Matsumoto, Y

CHEMICAL PHYSICS LETTERS 392 ( 4-6 ) 334 - 339 2004年07月11日

ISSN: 0009-2614

DOI
Autoionization and neutral dissociation of superexcited HI studied by two-dimensional photoelectron spectroscopy

Hikosaka, Y; Mitsuke, K

JOURNAL OF CHEMICAL PHYSICS 121 ( 2 ) 792 - 799 2004年07月08日

ISSN: 0021-9606

DOI
Femtosecond photoelectron imaging on pyrazine:: (1+2′) REMPI of deuterated pyrazine

Suzuki, T; Wang, L; Tsubouchi, M

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 27 ) 5764 - 5769 2004年07月08日

ISSN: 1089-5639

DOI
Hyperfine interactions in La@C82 studied by W-band electron paramagnetic resonance and electron nuclear double resonance

Weiden, N; Kato, T; Dinse, KP

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 27 ) 9469 - 9474 2004年07月08日

ISSN: 1520-6106

DOI
Theoretical and experimental study on the in-plane SN2-type substitution reaction of haloalkenes with inversion of configuration at the sp2 carbon

Ando, K; Kitamura, M; Miura, K; Narasaka, K

ORGANIC LETTERS 6 ( 14 ) 2461 - 2463 2004年07月08日

ISSN: 1523-7060

DOI
Vibrational assignment of energetic material 5-nitro-2,4-dihydro-1,2,4-triazole-3-one (NTO) with labeled isomers

Hiyoshi, RI; Kohno, Y; Nakamura, J

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 27 ) 5915 - 5920 2004年07月08日

ISSN: 1089-5639

DOI
Perfluoropentacene: High-performance p-n junctions and complementary circuits with pentacene

Sakamoto, Y; Suzuki, T; Kobayashi, M; Gao, Y; Fukai, Y; Inoue, Y; Sato, F; Tokito, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 26 ) 8138 - 8140 2004年07月07日

ISSN: 0002-7863

DOI
Tunable photonic band gap crystals based on a liquid crystal-infiltrated inverse opal structure

Kubo, S; Gu, ZZ; Takahashi, K; Fujishima, A; Segawa, H; Sato, O

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 26 ) 8314 - 8319 2004年07月07日

ISSN: 0002-7863

DOI
Heme structures of five variants of hemoglobin M probed by resonance Raman spectroscopy

Jin, YY; Nagai, M; Nagai, Y; Nagatomo, S; Kitagawa, T

BIOCHEMISTRY 43 ( 26 ) 8517 - 8527 2004年07月06日

ISSN: 0006-2960

DOI
Bridging nanogap electrodes by in situ electropolymerization of a bis(terthiophenylphenanthroline)ruthenium complex

Araki, K; Endo, H; Masuda, G; Ogawa, T

CHEMISTRY-A EUROPEAN JOURNAL 10 ( 13 ) 3331 - 3340 2004年07月05日

ISSN: 0947-6539

DOI
Crystal structure of [(C2H5)2(CH3)2N][Pd(dmit)2]2 at high pressure

Okano, Y; Adachi, T; Narymbetov, B; Kobayashi, H; Zhou, B; Kobayashi, A

CHEMISTRY LETTERS 33 ( 7 ) 938 - 939 2004年07月05日

ISSN: 0366-7022

DOI
A bindschedler's green-based arylamine: Its polycations with high-spin multiplicity

Ito, A; Ino, H; Matsui, Y; Hirao, Y; Tanaka, K; Kanemoto, K; Kato, T

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 26 ) 5715 - 5720 2004年07月01日

ISSN: 1089-5639

DOI
Low temperature scanning tunneling microscopy of phthalocyanine multilayers on Au(111) surfaces

Takada, M; Tada, H

CHEMICAL PHYSICS LETTERS 392 ( 1-3 ) 265 - 269 2004年07月01日

ISSN: 0009-2614

DOI
Self-assembly of transmembrane helices of bacteriorhodopsin by a replica-exchange Monte Carlo simulation

Kokubo, H; Okamoto, Y

CHEMICAL PHYSICS LETTERS 392 ( 1-3 ) 168 - 175 2004年07月01日

ISSN: 0009-2614

DOI
A universal relation between electron density minima and ionic radii in ceramics

Yoshino, M; Morinaga, M; Shimode, A; Okabayashi, K; Nakamatsu, H; Sekine, R

MATERIALS TRANSACTIONS 45 ( 7 ) 1968 - 1972 2004年07月

ISSN: 1345-9678

DOI
Ab initio extended density functional theory for strongly correlated electron systems: Fundamental aspects of the broken-symmetry approach and possible applications for molecular material design

Yamanaka, S; Yamaguchi, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 77 ( 7 ) 1269 - 1286 2004年07月

ISSN: 0009-2673

DOI
Angular distributions of vibrationally-resolved C 1s photoelectrons from fixed-in-space CO molecules: vibrational effect in the shape-resonant C 1s photoionization of CO

Adachi, J; Hosaka, K; Furuya, S; Soejima, K; Takahashi, M; Yagishita, A; Semenov, SK; Cherepkov, NA

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 137 243 - 248 2004年07月

ISSN: 0368-2048

DOI
Ar 2p excited states of argon in non-polar media

Hatsui, T; Nagasono, M; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 137 435 - 439 2004年07月

ISSN: 0368-2048

DOI
Charge disproportionation in (TMTTF)2SCN observed by 13C NMR -: art. no. 045102

Fujiyama, S; Nakamura, T

PHYSICAL REVIEW B 70 ( 4 ) 2004年07月

ISSN: 2469-9950

DOI
HOMO-band fine structure of OTi- and Pb-phthalocyanine ultrathin films: effects of the electric dipole layer

Yamane, H; Honda, H; Fukagawa, H; Ohyama, M; Hinuma, Y; Kera, S; Okudaira, KK; Ueno, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 137 223 - 227 2004年07月

ISSN: 0368-2048

DOI
Modification of local electronic structures due to phase transition in perovskite-type oxides, SrBO3 (B=Zr, ru, hf)

Yoshino, M; Yukawa, H; Morinaga, M

MATERIALS TRANSACTIONS 45 ( 7 ) 2056 - 2061 2004年07月

ISSN: 1345-9678

DOI
Populations and lifetimes in the v=n-l-1=2 and 3 metastable cascades of (p)over-barHe+ measured by pulsed and continuous antiproton beams -: art. no. 012504

Hori, M; Eades, J; Widmann, E; Yamazaki, T; Hayano, RS; Ishikawa, T; Torii, HA; von Egidy, T; Hartm … 全著者表示

PHYSICAL REVIEW A 70 ( 1 ) 2004年07月

ISSN: 1050-2947

DOI
Spin-forbidden shake-up states of OCS molecule studied by resonant photoelectron spectroscopy

Masuda, S; Hatsui, T; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 137 351 - 355 2004年07月

ISSN: 0368-2048

DOI
Spin-orbit and exchange interactions in molecular inner shell spectroscopy

Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 137 335 - 343 2004年07月

ISSN: 0368-2048

DOI
Structure and deposition mechanism of 10-undecenoic acid self-assembled layers on H-Si(111) surfaces studied by atomic force microscopy and Fourier-transform infrared

Li, YJ; Tero, R; Nagasawa, T; Nagata, T; Haruyama, Y; Urisu, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 43 ( 7B ) 4591 - 4594 2004年07月

ISSN: 0021-4922

DOI
Tantalum-fullerene clusters: A first-principles study of static properties and dynamical behavior

Ramaniah, LM; Boero, M; Laghate, M

PHYSICAL REVIEW B 70 ( 3 ) 2004年07月

ISSN: 2469-9950

DOI
Theoretical investigation of AlK-edge X-ray absorption spectra of Al, AlN and Al2O3

Mogi, M; Yamamoto, T; Mizoguchi, T; Tatsumi, K; Yoshioka, S; Kameyama, S; Tanaka, I; Adachi, H

MATERIALS TRANSACTIONS 45 ( 7 ) 2031 - 2034 2004年07月

ISSN: 1345-9678

DOI
X-ray absorption near edge structures of silicon nitride thin film by pulsed laser deposition

Suga, T; Mizoguchi, T; Kunisu, M; Tatsumi, K; Yamamoto, T; Tanaka, I; Sekine, T

MATERIALS TRANSACTIONS 45 ( 7 ) 2039 - 2041 2004年07月

ISSN: 1345-9678

DOI
Ab initio molecular orbital investigation of a precursor in ethylene biosynthesis: Proton transfer in a cluster of 1-aminocyclopropane-1-carboxylic acid and water

Ito, M; Re, S; Tokiwa, H

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 25 ) 5417 - 5423 2004年06月24日

ISSN: 1089-5639

DOI
Molecular dynamics simulations in the multibaric-multithermal ensemble

Okumura, H; Okamoto, Y

CHEMICAL PHYSICS LETTERS 391 ( 4-6 ) 248 - 253 2004年06月21日

ISSN: 0009-2614

DOI
Structures and its dipole moments of half-sandwich type metal-benzene (1:1) complexes determined by 2-m long electrostatic hexapole

Imura, K; Ohoyama, H; Kasai, T

CHEMICAL PHYSICS 301 ( 2-3 ) 183 - 187 2004年06月21日

ISSN: 0301-0104

DOI
E′ centers in silicon dioxide:: First-principles molecular dynamics studies

Boero, M; Oshiyama, A; Silvestrelli, PL

MODERN PHYSICS LETTERS B 18 ( 15 ) 707 - 724 2004年06月20日

ISSN: 0217-9849

DOI
Heme environment in aldoxime dehydratase involved in carbon-nitrogen triple bond synthesis

Oinuma, KI; Ohta, T; Konishi, K; Hashimoto, Y; Higashibata, H; Kitagawa, T; Kobayashi, M

FEBS LETTERS 568 ( 1-3 ) 44 - 48 2004年06月18日

ISSN: 0014-5793

DOI
Crater structures on a molybdenite basal plane observed by ultra-high vacuum scanning tunneling microscopy and its implication to hydrotreating

Komiyama, M; Kiyohara, K; Li, YJ; Fujikawa, T; Ebihara, T; Kubota, T; Okamoto, Y

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 215 ( 1-2 ) 143 - 147 2004年06月14日

ISSN: 1381-1169

DOI
Infrared photodissociation spectra and solvation structures of Mg+(CH3OH)n (n=1-4)

Machinaga, H; Ohashi, K; Inokuchi, Y; Nishi, N; Sekiya, H

CHEMICAL PHYSICS LETTERS 391 ( 1-3 ) 85 - 90 2004年06月11日

ISSN: 0009-2614

DOI
Theoretical study of the nucleophilic 5-endo-trigonal cyclization of 1,1-difluoro-1-alkenes

Ando, K

JOURNAL OF ORGANIC CHEMISTRY 69 ( 12 ) 4203 - 4209 2004年06月11日

ISSN: 0022-3263

DOI
Infrared photodissociation spectroscopy of [Mg•(H2O)1-4]+ and [Mg•(H2O)1-4•Ar]+

Inokuchi, Y; Ohshimo, K; Misaizu, F; Nishi, N

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 23 ) 5034 - 5040 2004年06月10日

ISSN: 1089-5639

DOI
Preparation, characterization, and FET properties of novel dicyanopyrazinoquinoxaline derivatives

Nishida, J; Naraso; Murai, S; Fujiwara, E; Tada, H; Tomura, M; Yamashita, Y

ORGANIC LETTERS 6 ( 12 ) 2007 - 2010 2004年06月10日

ISSN: 1523-7060

DOI
Isolation and characterization of a carbene derivative of La@C82

Maeda, Y; Matsunaga, Y; Wakahara, T; Takahashi, S; Tsuchiya, T; Ishitsuka, MO; Hasegawa, T; Akasaka … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 22 ) 6858 - 6859 2004年06月09日

ISSN: 0002-7863

DOI
Simulation study of angle-resolved photoemission spectra and intramolecular energy-band dispersion of a poly(tetrafluoroethylene) oligomer film

Yoshimura, D; Ishii, H; Ouchi, Y; Miyamae, T; Hasegawa, S; Okudaira, KK; Ueno, N; Seki, K

JOURNAL OF CHEMICAL PHYSICS 120 ( 22 ) 10753 - 10762 2004年06月08日

ISSN: 0021-9606

DOI
Tridentate aryloxide ligands: New supporting Ligands in coordination chemistry of early transition metals

Matsuo, T; Kawaguchi, H

CHEMISTRY LETTERS 33 ( 6 ) 640 - 645 2004年06月05日

ISSN: 0366-7022

DOI
A photoinduced spin transition iron(II) complex with liquid-crystal properties

Hayami, S; Danjobara, K; Inoue, K; Ogawa, Y; Matsumoto, N; Maeda, Y

ADVANCED MATERIALS 16 ( 11 ) 869 - 872 2004年06月04日

ISSN: 0935-9648

DOI
Practical means for the study of electron correlation in atoms

van Boeyen, RW; Watanabe, N; Doering, JP; Moore, JH; Coplan, MA

PHYSICAL REVIEW LETTERS 92 ( 22 ) 2004年06月04日

ISSN: 0031-9007

DOI
Magic-numbered Aun clusters protected by glutathione monolayers (n=18, 21, 25, 28, 32, 39):: Isolation and spectroscopic characterization

Negishi, Y; Takasugi, Y; Sato, S; Yao, H; Kimura, K; Tsukuda, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 21 ) 6518 - 6519 2004年06月02日

ISSN: 0002-7863

DOI
Effect of ultrafast optical pulses with different pulse duration on the terahertz radiation spectrum of n-type InAs

Takahashi, H; Hasselbeck, MP; Quema, A; Goto, M; Ono, S; Sakakura, N

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 43 ( 6A ) L746 - L748 2004年06月01日

ISSN: 0021-4922

DOI
On-demand mixing droplet spotter for preparing picoliter droplets on surfaces

Yogi, O; Kawakami, T; Mizuno, A

ANALYTICAL CHEMISTRY 76 ( 11 ) 2991 - 2996 2004年06月01日

ISSN: 0003-2700

DOI
An ab initio MO study on orbital interaction and charge distribution in alkali metal aqueous solution:: Li+, Na+, and K+

Tanaka, M; Aida, M

JOURNAL OF SOLUTION CHEMISTRY 33 ( 6-7 ) 887 - 901 2004年06月

ISSN: 0095-9782

DOI
Characterization of dipalmitoylphosphatidylcholine/cholesterol Langmuir-Blodgett monolayers investigated by atomic force microscopy and Fourier transform infrared spectroscopy

Kim, YH; Tero, R; Takizawa, M; Urisu, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 43 ( 6B ) 3860 - 3864 2004年06月

ISSN: 0021-4922

DOI
Development of a superconducting magnet for high magnetic force application

Hirose, R; Saito, K; Watanabe, Y; Tanimoto, Y

IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY 14 ( 2 ) 1693 - 1695 2004年06月

ISSN: 1051-8223

DOI
Krylov subspace method for molecular dynamics simulation based on large-scale electronic structure theory

Takayama, R; Hoshi, T; Fujiwara, T

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 6 ) 1519 - 1524 2004年06月

ISSN: 0031-9015

DOI
Optical, infrared and EPR spectroscopy of CaF2:Ce3+ crystals co-doped with Li+ or Na+

Yamaga, M; Yabashi, S; Masui, Y; Honda, M; Takahashi, H; Sakai, M; Sarukura, N; Wells, JPR; Jones, … 全著者表示

JOURNAL OF LUMINESCENCE 108 ( 1-4 ) 307 - 311 2004年06月

ISSN: 0022-2313

DOI
Shrinking of spin-on-glass films induced by synchrotron radiation and its application to three-dimensional microfabrications

Rahman, MM; Tero, R; Urisu, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 43 ( 6B ) 3941 - 3944 2004年06月

ISSN: 0021-4922

DOI
Solute dependence of polar solvation dynamics studied by RISM/mode-coupling theory

Nishiyama, K; Yamaguchi, T; Hirata, F; Okada, T

JOURNAL OF SOLUTION CHEMISTRY 33 ( 6-7 ) 631 - 639 2004年06月

ISSN: 0095-9782

DOI
Unconstrained steps of myosin VI appear longest among known molecular motors

Ali, MY; Homma, K; Iwane, AH; Adachi, K; Itoh, H; Kinosita, K; Yanagida, T; Ikebe, M

BIOPHYSICAL JOURNAL 86 ( 6 ) 3804 - 3810 2004年06月

ISSN: 0006-3495

DOI
Origin of facial diastereoselection in 2-adamantyl cations. Theoretical evidence against the Felkin-Anh and the Cieplak models

Kaneno, D; Tomoda, S

TETRAHEDRON LETTERS 45 ( 23 ) 4559 - 4562 2004年05月31日

ISSN: 0040-4039

DOI
Simultaneous resonance Raman detection of the heme a3-Fe-CO and CuB-CO species in CO-bound ba3-cytochrome c oxidase from Thermus thermophilus -: Evidence for a charge transfer CuB-CO transition

Pinakoulaki, E; Ohta, T; Soulimane, T; Kitagawa, T; Varotsis, C

JOURNAL OF BIOLOGICAL CHEMISTRY 279 ( 22 ) 22791 - 22794 2004年05月28日

ISSN: 0021-9258

DOI
Development of chiral pincer palladium complexes bearing a pyrroloimidazolone unit. Catalytic use for asymmetric Michael addition

Takenaka, K; Uozumi, Y

ORGANIC LETTERS 6 ( 11 ) 1833 - 1835 2004年05月27日

ISSN: 1523-7060

DOI
Hydrogen bond driven chemical reactions:: Beckmann rearrangement of cyclohexanone oxime into ε-caprolactam in supercritical water

Boero, M; Ikeshoji, T; Liew, CC; Terakura, K; Parrinello, M

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 20 ) 6280 - 6286 2004年05月26日

ISSN: 0002-7863

DOI
The conformation of alkyl benzyl alcohols studied by ab initio MO calculations - A comparison with IR and NMR spectroscopic data

Takahashi, O; Saito, K; Kohno, Y; Suezawa, H; Ishihara, S; Nishio, M

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2004 ( 11 ) 2398 - 2403 2004年05月24日

ISSN: 1434-193X

DOI
A density functional theory study applied for carbon isotope effects in the non-aqueous [Cu(CO)]+/CO system

Ono, Y; Fujii, Y; Nagase, S; Ishida, T

CHEMICAL PHYSICS LETTERS 390 ( 1-3 ) 71 - 78 2004年05月21日

ISSN: 0009-2614

DOI
Structures of [Mg•(H2O)1,2]+ and [Al•(H2O)1,2]+ ions studied by infrared photodissociation spectroscopy:: evidence of [HO-Al-H]+ ion core structure in [Al•(H2O)2]+

Inokuchi, Y; Ohshimo, K; Misaizu, F; Nishi, N

CHEMICAL PHYSICS LETTERS 390 ( 1-3 ) 140 - 144 2004年05月21日

ISSN: 0009-2614

DOI
Theoretical studies on the relative stabilities of C96IPR fullerenes

Zhao, X; Slanina, Z; Goto, H

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 20 ) 4479 - 4484 2004年05月20日

ISSN: 1089-5639

DOI
Dynamic heterogeneity in interfacial region of microphase-separated polystyrene-block-poly(methyl acrylate) studied by the ESR spin-label technique

Miwa, Y; Tanida, K; Yamamoto, K; Okamoto, S; Sakaguchi, M; Sakai, M; Makita, S; Sakurai, S; Shimada … 全著者表示

MACROMOLECULES 37 ( 10 ) 3707 - 3716 2004年05月18日

ISSN: 0024-9297

DOI
Oscillation spectra and dynamic effects in a highly-doped microchip Nd:YAG ceramic laser

Kawai, R; Miyasaka, Y; Otsuka, K; Ohtomo, T; Narita, T; Ko, JY; Shoji, I; Taira, T

OPTICS EXPRESS 12 ( 10 ) 2293 - 2302 2004年05月17日

ISSN: 1094-4087

DOI
Organic thin-film transistors based on anthracene oligomers

Inoue, Y; Tokito, S; Ito, K; Suzuki, T

JOURNAL OF APPLIED PHYSICS 95 ( 10 ) 5795 - 5799 2004年05月15日

ISSN: 0021-8979

DOI
Semiclassical theory of electronically nonadiabatic chemical dynamics: Incorporation of the Zhu-Nakamura theory into the frozen Gaussian propagation method

Kondorskiy, A; Nakamura, H

JOURNAL OF CHEMICAL PHYSICS 120 ( 19 ) 8937 - 8954 2004年05月15日

ISSN: 0021-9606

DOI
Structural characterization of a binuclear center of a Cu-containing NO reductase homologue from Roseobacter denitrificans:: EPR and resonance Raman studies

Matsuda, Y; Uchida, T; Hori, H; Kitagawa, T; Arata, H

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1656 ( 1 ) 37 - 45 2004年05月12日

ISSN: 0005-2728

DOI
Detection of a photostable five-coordinate heme a3-Fe-CO species and functional implications of His384/α10 in CO-bound ba3-cytochrome c oxidase from Thermus thermophilus

Ohta, T; Pinakoulaki, E; Soulimane, T; Kitagawa, T; Varotsis, C

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 18 ) 5489 - 5491 2004年05月06日

ISSN: 1520-6106

DOI
Spin multiplicity effects on the second hyperpolarizability of an open-shell neutral π-conjugated system

Nakano, M; Nitta, T; Yamaguchi, K; Champagne, B; Botek, E

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 18 ) 4105 - 4111 2004年05月06日

ISSN: 1089-5639

DOI
Theoretical study on static second hyperpolarizabilities for several π-conjugated systems including nitrogen atoms: Effects of charged defects and extension of π-conjugation

Yamada, S; Nakano, M; Takahata, M; Kishi, R; Nitta, T; Yamaguchi, K

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 18 ) 4151 - 4155 2004年05月06日

ISSN: 1089-5639

DOI
Temperature dependence of the structure of alkyl monolayers on Si(111) surface via Si-C bond by ATR-FT-IR spectroscopy

Yamada, R; Ara, M; Tada, H

CHEMISTRY LETTERS 33 ( 5 ) 492 - 493 2004年05月05日

ISSN: 0366-7022

DOI
Equilibrium of low- and high-spin states of Ni(II) complexes controlled by the donor ability of the bidentate ligands

Ohtsu, H; Tanaka, K

INORGANIC CHEMISTRY 43 ( 9 ) 3024 - 3030 2004年05月03日

ISSN: 0020-1669

DOI
Dissociative photoionization of H2 at high photon energies:: uncovering new series of doubly excited states

Aoto, T; Hikosaka, Y; Hall, RI; Ito, K; Fernández, J; Martín, F

CHEMICAL PHYSICS LETTERS 389 ( 1-3 ) 145 - 149 2004年05月01日

ISSN: 0009-2614

DOI
Multi-curve fitting analysis of temperature-dependent I-V curves of poly-hexathienylphenanthroline-bridged nanogap electrodes

Araki, K; Endo, H; Tanaka, H; Ogawa, T

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 43 ( 5A ) L634 - L636 2004年05月01日

ISSN: 0021-4922

DOI
Terahertz radiation from InAs with various surface orientations under magnetic field irradiated with femtosecond optical pulses at different wavelengths

Takahashi, H; Sakai, M; Quema, A; Ono, S; Sarukura, N; Nishijima, G; Watanabe, K

JOURNAL OF APPLIED PHYSICS 95 ( 9 ) 4545 - 4550 2004年05月01日

ISSN: 0021-8979

DOI
Ab initio study of cyclohexane dehydrogenation with a transition metal (Pt, Pd, Ni and Cu) atom

Tsuda, M; Diño, WA; Nakanishi, H; Kasai, H

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 5 ) 1281 - 1284 2004年05月

ISSN: 0031-9015

DOI
Ab initio density functional approach for noncollinear molecular magnetism of multicenter metal clusters

Yamanaka, S; Takeda, R; Kawakami, T; Nakata, K; Sakuma, T; Takada, T; Yamaguchi, K

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 272 E255 - E256 2004年05月

ISSN: 0304-8853

DOI
Aromatic character of annelated dimethyldihydropyrenes

Aihara, JI; Ishida, T

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 17 ( 5 ) 393 - 398 2004年05月

ISSN: 0894-3230

DOI
Dinuclear copper-dioxygen intermediates supported by polyamine ligands

Teramae, S; Osako, T; Nagatomo, S; Kitagawa, T; Fukuzumi, S; Itoh, S

JOURNAL OF INORGANIC BIOCHEMISTRY 98 ( 5 ) 746 - 757 2004年05月

ISSN: 0162-0134

DOI
Energetic, geometric, and electronic evolutions of K-doped single-wall carbon nanotube ropes with K intercalation concentration

Lu, J; Nagase, S; Zhang, S; Peng, LM

PHYSICAL REVIEW B 69 ( 20 ) 2004年05月

ISSN: 2469-9950

DOI
First-principles study on lithium absorption in carbon nanotubes

Liu, Y; Yukawa, H; Morinaga, M

COMPUTATIONAL MATERIALS SCIENCE 30 ( 1-2 ) 50 - 56 2004年05月

ISSN: 0927-0256

DOI
Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations

Okamoto, Y

JOURNAL OF MOLECULAR GRAPHICS & MODELLING 22 ( 5 ) 425 - 439 2004年05月

ISSN: 1093-3263

DOI
Metal-to-ligand charge transfer in polarized metal L-edge X-ray absorption of Ni and Cu complexes

Hatsui, T; Kosugi, N

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA 136 ( 1-2 ) 67 - 75 2004年05月

ISSN: 0368-2048

DOI
On thermo- and photo-induced symmetry-broken transformation in spin-crossover complex: Cooperative activation

Luty, T; Yonemitsu, K

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 73 ( 5 ) 1237 - 1243 2004年05月

ISSN: 0031-9015

DOI
Optical conductivity of a non-Fermi-liquid material YbRh2Si2

Kimura, S; Nishi, T; Sichelschmidt, J; Voevodin, V; Ferstl, J; Geibel, C; Steglich, F

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 272 36 - 37 2004年05月

ISSN: 0304-8853

DOI
Optical study of c-f hybridization states in mixed-valent Yb compounds:: metallic YbAl3 vs semiconducting YbB12

Okamura, H; Michizawa, T; Matsunami, M; Kimura, S; Nanba, T; Ebihara, T; Iga, F; Takabatake, T

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 272 E51 - E52 2004年05月

ISSN: 0304-8853

DOI
Own N-layered integrated molecular orbital and molecular mechanics study of the reaction of OH- with polychlorinated hydrocarbons CH(4-n)Cln (n=2-4)

Re, SY; Morokuma, K

THEORETICAL CHEMISTRY ACCOUNTS 112 ( 2 ) 59 - 67 2004年05月

ISSN: 1432-881X

DOI
Resonance Raman study on synergistic activation of soluble guanylate cyclase by imidazole, YC-1 and GTP

Pal, B; Li, ZQ; Ohta, T; Takenaka, S; Tsuyama, S; Kitagawa, T

JOURNAL OF INORGANIC BIOCHEMISTRY 98 ( 5 ) 824 - 832 2004年05月

ISSN: 0162-0134

DOI
Spin soliton dynamics and pressure effects in the spin-Peierls system (DMe-DCNQI)2M (M = Li, Ag)

Hiraoka, M; Sakamoto, H; Mizoguchi, K; Kato, T; Furukawa, K; Kato, R; Hiraki, K; Takahashi, T

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 272 1077 - 1078 2004年05月

ISSN: 0304-8853

DOI
Synthesis and properties of new, spatially relaxed dendrons containing internal carboxyl groups

Kikuzawa, Y; Nagata, T

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 77 ( 5 ) 993 - 1000 2004年05月

ISSN: 0009-2673

DOI
Tetrasilyl-substituted cyclobutadiene dianion dilithium salt: synthesis and structure

Sekiguchi, A; Matsuo, T; Tanaka, M; Watanabe, H; Nakamoto, M

RUSSIAN CHEMICAL BULLETIN 53 ( 5 ) 1109 - 1115 2004年05月

ISSN: 1066-5285

DOI
Torsion potential works in rhodopsin

Yamada, A; Yamato, T; Kakitani, T; Yamamoto, S

PHOTOCHEMISTRY AND PHOTOBIOLOGY 79 ( 5 ) 476 - 486 2004年05月

ISSN: 0031-8655

DOI
Synthesis and characterization of novel dipyridylbenzothiadiazole and bisbenzothiadiazole derivatives

Akhtaruzzaman, M; Tomura, M; Nishida, J; Yamashita, Y

JOURNAL OF ORGANIC CHEMISTRY 69 ( 9 ) 2953 - 2958 2004年04月30日

ISSN: 0022-3263

DOI
Characterization of Ce@C82 and its anion

Wakahara, T; Kobayashi, J; Yamada, M; Maeda, Y; Tsuchiya, T; Okamura, M; Akasaka, T; Waelchli, M; K … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 15 ) 4883 - 4887 2004年04月21日

ISSN: 0002-7863

DOI
Visible light emission from polymer-based field-effect transistors

Sakanoue, T; Fujiwara, E; Yamada, R; Tada, H

APPLIED PHYSICS LETTERS 84 ( 16 ) 3037 - 3039 2004年04月19日

ISSN: 0003-6951

DOI
Activation of heme-regulated eukaryotic initiation factor 2α kinase by nitric oxide is induced by the formation of a five-coordinate NO-heme complex -: Optical absorption, electron spin resonance, and resonance raman spectral studies

Igarashi, J; Sato, A; Kitagawa, T; Yoshimura, T; Yamauchi, S; Sagami, I; Shimizu, T

JOURNAL OF BIOLOGICAL CHEMISTRY 279 ( 16 ) 15752 - 15762 2004年04月16日

ISSN: 0021-9258

DOI
Room-temperature, continuous-wave 1-W green power by single-pass frequency doubling in a bulk periodically poled MgO:LiNbO3 crystal

Pavel, N; Shoji, I; Taira, T; Mizuuchi, K; Morikawa, A; Sugita, T; Yamamoto, K

OPTICS LETTERS 29 ( 8 ) 830 - 832 2004年04月15日

ISSN: 0146-9592

DOI
Essential amino acid residues controlling the unique regioselectivity of heme oxygenase in Pseudomonas aeruginosa

Fujii, H; Zhang, XH; Yoshida, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 14 ) 4466 - 4467 2004年04月14日

ISSN: 0002-7863

DOI
Resonance Raman characterization of the P intermediate in the reaction of bovine cytochrome c oxidase

Ogura, T; Kitagawa, T

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS 1655 ( 1-3 ) 290 - 297 2004年04月12日

ISSN: 0005-2728

DOI
Computed temperature development of the relative stabilities of La@C82 isomers

Slanina, Z; Kobayashi, K; Nagase, S

CHEMICAL PHYSICS LETTERS 388 ( 1-3 ) 74 - 78 2004年04月11日

ISSN: 0009-2614

DOI
New algorithm for the rapid evaluation of electron repulsion integrals: elementary basis algorithm

Nakai, H; Kobayashi, M

CHEMICAL PHYSICS LETTERS 388 ( 1-3 ) 50 - 54 2004年04月11日

ISSN: 0009-2614

DOI
A new alternative model of type-C defects on Si(100) surfaces

Okano, S; Oshiyama, A

SURFACE SCIENCE 554 ( 2-3 ) 272 - 279 2004年04月10日

ISSN: 0039-6028

DOI
A local second-order Moller-Plesset method with localized orbitals: A parallelized efficient electron correlation method

Nakao, Y; Hirao, K

JOURNAL OF CHEMICAL PHYSICS 120 ( 14 ) 6375 - 6380 2004年04月08日

ISSN: 0021-9606

DOI
Structures and magnetic properties of a new cobalt(II) linear trimer with phenylcinnamic acid

Oka, Y; Inoue, K

CHEMISTRY LETTERS 33 ( 4 ) 402 - 403 2004年04月05日

ISSN: 0366-7022

DOI
Double photoionization of C60 and C70 in the valence region

Kou, J; Mori, T; Kumar, SVK; Haruyama, Y; Kubozono, Y; Mitsuke, K

JOURNAL OF CHEMICAL PHYSICS 120 ( 13 ) 6005 - 6009 2004年04月01日

ISSN: 0021-9606

DOI
H-T phase diagram of λ-(BETS)2FeCl4 under pressure

Jo, YJ; Kang, H; Tanaka, T; Tokumoto, M; Kobayashi, A; Kobayashi, H; Uji, S; Kang, W

JOURNAL DE PHYSIQUE IV 114 323 - 325 2004年04月

ISSN: 1155-4339

DOI
A comparative mid-infrared study of superconductor BETS4HG2.84Br8 and metal BETS4HG3Cl8

Drichko, N; Petrov, B; Semkin, VN; Vlasova, RM; Bogdanova, OA; Zhilyaeva, EI; Lyubovskaya, RN; Olej … 全著者表示

JOURNAL DE PHYSIQUE IV 114 305 - 307 2004年04月

ISSN: 1155-4339

DOI
Charge disproportionate state of BEDT-TTF β" -salts

Yamamoto, T; Uruichi, M; Yakushi, K; Yamaura, J; Tajima, H; Kawamoto, A

JOURNAL DE PHYSIQUE IV 114 397 - 399 2004年04月

ISSN: 1155-4339

DOI
Charge-ordering in θ-(BEDT-TTF)2MM'(SCN)4 [M = Cs, Rb, TI, M' = Zn, Co]

Suzuki, K; Yamamoto, K; Uruichi, M; Yakushi, K

JOURNAL DE PHYSIQUE IV 114 379 - 381 2004年04月

ISSN: 1155-4339

DOI
Competition electronic states of (TMTTF)2MF6:: ESR investigations

Nakamura, T; Maeda, K

JOURNAL DE PHYSIQUE IV 114 123 - 124 2004年04月

ISSN: 1155-4339

DOI
Development of new magnetic organic conductors based on donor molecules with stable organic radical part

Lee, HJ; Cui, HB; Fujiwara, H; Kobayashi, H; Fujiwara, E; Kobayashi, A

JOURNAL DE PHYSIQUE IV 114 533 - 535 2004年04月

ISSN: 1155-4339

DOI
Dynamical charge disproportionation in metallic state in θ-(BEDT-TTF)2RbZn(SCN)4

Takahashi, T; Chiba, R; Hiraki, K; Yamamoto, HM; Nakamura, T

JOURNAL DE PHYSIQUE IV 114 269 - 272 2004年04月

ISSN: 1155-4339

DOI
Dynamical fluctuation of the site-charge density in metallic β"-(BEDT-TTF)(TCNQ)

Yakushi, K; Uruichi, M; Yamamoto, H; Kato, R

JOURNAL DE PHYSIQUE IV 114 149 - 151 2004年04月

ISSN: 1155-4339

DOI
Electron-molecular vibration coupling effect on the Raman spectrum of organic charge transfer salts

Yamamoto, K; Yakushi, K

JOURNAL DE PHYSIQUE IV 114 153 - 155 2004年04月

ISSN: 1155-4339

DOI
Humidity sensitive conductivity of (BEDO-TTF)2Br(H2O)3 as a bulk property

Yamochi, H; Haneda, T; Tracz, A; Ulanski, J; Drozdova, O; Yakushi, K; Saito, G

JOURNAL DE PHYSIQUE IV 114 591 - 593 2004年04月

ISSN: 1155-4339

DOI
Infrared and Raman studies of the charge ordering in the organic semiconductor K-[Et4N][Co(CN)6(ET)4]•3H2O

Swietlik, R; Ouahab, L; Guillevic, J; Yakushi, K

MACROMOLECULAR SYMPOSIA 212 219 - 224 2004年04月

ISSN: 1022-1360

DOI
Investigation of the field-induced phases in λ-(BETS)2FexGa1-xCl4

Brooks, JS; Uji, S; Choi, ES; Kobayashi, H; Kobayashi, A; Tanaka, H; Tokumoto, M

JOURNAL DE PHYSIQUE IV 114 175 - 181 2004年04月

ISSN: 1155-4339

DOI
Localization of conduction-band electrons in β"-(BEDT-TTF)4 NH4[Cr (C2O4)3]•DMF single crystals

Morgunov, RB; Baskakov, AA; Dunin-Barkovskiy, LR; Khasanov, SS; Shibaeva, RP; Prokhorova, TG; Yagub … 全著者表示

JOURNAL DE PHYSIQUE IV 114 335 - 337 2004年04月

ISSN: 1155-4339

DOI
Molecular conductors containing photoreactive species

Naito, T; Inabe, T

JOURNAL DE PHYSIQUE IV 114 553 - 555 2004年04月

ISSN: 1155-4339

DOI
Periodic twinning in crystal quartz for optical quasi-phase matched secondary harmonic conversion

Harada, M; Muramatsu, K; Iwasaki, Y; Kurimura, S; Taira, T

JOURNAL OF MATERIALS RESEARCH 19 ( 4 ) 969 - 972 2004年04月

ISSN: 0884-2914

DOI
Phase diagram of magnetic-field-induced superconductor λ-(BETS)2FeCl4-xBrx

Uji, S; Yasuzuka, S; Tanaka, H; Tokumoto, M; Zhang, B; Kobayashi, H; Choi, ES; Graf, D; Brooks, JS

JOURNAL DE PHYSIQUE IV 114 391 - 392 2004年04月

ISSN: 1155-4339

DOI
Phase transition in the organic conductor (TTM-TTP)I3 studied by infrared and Raman spectroscopies

Swietlik, R; Yakushi, K; Yamamoto, K; Kawamoto, T; Mori, T

JOURNAL DE PHYSIQUE IV 114 87 - 90 2004年04月

ISSN: 1155-4339

DOI
Quantum chemical study of oxidation processes in Cu-phthalocyanine

Toman, P; Nespurek, S; Yakushi, K

MACROMOLECULAR SYMPOSIA 212 327 - 334 2004年04月

ISSN: 1022-1360

DOI
Raman studies of the charge ordering and semiconductor-metal phase transition in polymorphic forms of (BEDT-TTF)2Br1.3I1.1Cl0.6

Wojciechowski, R; Kowalska, A; Ulanski, J; Mas-Torrent, M; Laukhina, E; Rovira, C; Tkacheva, V; Yam … 全著者表示

JOURNAL DE PHYSIQUE IV 114 393 - 395 2004年04月

ISSN: 1155-4339

DOI
Recent progress in development of single-component molecular metals

Kobayashi, A; Fujiwara, E; Suzuki, W; Sasa, M; Fujishiro, Y; Nishibori, E; Takata, M; Sakata, M; Ok … 全著者表示

JOURNAL DE PHYSIQUE IV 114 419 - 424 2004年04月

ISSN: 1155-4339

DOI
Spectroscopic studies of charge-ordering system in organic conductors

Yakushi, K; Yamamoto, K; Swietlik, R; Wojciechowski, R; Suzuki, K; Kawamoto, T; Mori, T; Misaki, Y; … 全著者表示

MACROMOLECULAR SYMPOSIA 212 159 - 168 2004年04月

ISSN: 1022-1360

DOI
Strong evidence of field-induced superconductivity and Shubnikov-de!Haas oscillation in κ-(BETS)2FeBr4

Konoike, T; Fujiwara, H; Zhang, B; Kobayashi, H; Nishimura, M; Yasuzuka, S; Enomoto, K; Uji, S

JOURNAL DE PHYSIQUE IV 114 223 - 226 2004年04月

ISSN: 1155-4339

DOI
Strong interaction between carbonyl and dioxolene ligands caused by charge distribution of ruthenium-dioxolene frameworks of mono- and dicarbonylruthenium complexes

Wada, T; Fujihara, T; Tomori, M; Ooyama, D; Tanaka, K

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 77 ( 4 ) 741 - 749 2004年04月

ISSN: 0009-2673

DOI
Structure and transport properties of isomer-separated C82 -: art. no. 165412

Kubozono, Y; Rikiishi, Y; Shibata, K; Hosokawa, T; Fujiki, S; Kitagawa, H

PHYSICAL REVIEW B 69 ( 16 ) 2004年04月

ISSN: 2469-9950

DOI
The effect of pressure on the phase diagram of the magnetic field-induced superconducting state of λ-(BETS)2FeCl4

Balicas, L; Barzykin, V; Storr, K; Brooks, JS; Tokumoto, M; Uji, S; Tanaka, H; Kobayashi, H; Kobaya … 全著者表示

JOURNAL DE PHYSIQUE IV 114 199 - 203 2004年04月

ISSN: 1155-4339

DOI
Two-step photo-induced phase transitions in a two-sublattice model

Otsuka, Y; Yonemitsu, K

JOURNAL DE PHYSIQUE IV 114 637 - 639 2004年04月

ISSN: 1155-4339

DOI
[BETS]2•C60 complex and BETS salts with square-planar platinate (II), nickelate (II) anions:: (BETS)4•Pt(CN)4, (BETS)4•Ni(CN)4

Spitsina, N; Dubrovskii, A; Buravov, L; Shilov, G; Dyachenko, O; Okano, Y; Kobayashi, A

JOURNAL DE PHYSIQUE IV 114 577 - 579 2004年04月

ISSN: 1155-4339

DOI
Dissociative double photoionisation of CO below the CO++ threshold

Hikosaka, Y; Eland, JHD

CHEMICAL PHYSICS 299 ( 1 ) 147 - 154 2004年03月29日

ISSN: 0301-0104

DOI
Fluorescent and circular dichroic detection of monosaccharides by molecular sensors: Bis[(pyrrolyl)ethynyl]naphthyridine and bis[(indolyl)ethynyl]naphthyridine

Fang, JM; Selvi, S; Liao, JH; Slanina, Z; Chen, CT; Chou, PT

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 11 ) 3559 - 3566 2004年03月24日

ISSN: 0002-7863

DOI
How is the CH/π interaction important for molecular recognition?

Re, S; Nagase, S

CHEMICAL COMMUNICATIONS ( 6 ) 658 - 659 2004年03月21日

ISSN: 1359-7345

DOI
Distortion of electronic structure in solvated molecules: Tautomeric equilibrium of 2-pyridone and 2-hydroxypridine in water studied by the RISM-SCF method

Sato, H; Hirata, F; Sakaki, S

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 11 ) 2097 - 2102 2004年03月18日

ISSN: 1089-5639

DOI
On the movement of paramagnetic ions in an inhomogeneous magnetic field

Fujiwara, M; Chie, K; Sawai, J; Shimizu, D; Tanimoto, Y

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 11 ) 3531 - 3534 2004年03月18日

ISSN: 1520-6106

DOI
Structures and stabilities of alkanethiolate monolayers on palladium clusters as studied by gel permeation chromatography

Murayama, H; Narushima, T; Negishi, Y; Tsukuda, T

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 11 ) 3496 - 3503 2004年03月18日

ISSN: 1520-6106

DOI
Core structure of amyloid fibril proposed from IR-microscope linear dichroism

Hiramatsu, H; Goto, Y; Naiki, H; Kitagawa, T

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 10 ) 3008 - 3009 2004年03月17日

ISSN: 0002-7863

DOI
Ab initio studies on chemical bonding in Cd- and Zn-based quasicrystals

Ishii, Y; Fujiwara, T

JOURNAL OF NON-CRYSTALLINE SOLIDS 334 336 - 341 2004年03月15日

ISSN: 0022-3093

DOI
Band structures of wurtzite InN and Ga1-xInxN by all-electron GW calculation

Usuda, M; Hamada, N; Shiraishi, K; Oshiyama, A

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS 43 ( 3B ) L407 - L410 2004年03月15日

ISSN: 0021-4922

DOI
Growth and charge transfer luminescence of Yb3+-doped YAlO3 single crystals

Shim, JB; Yoshikawa, A; Fukuda, T; Pejchal, J; Nikl, M; Sarukura, N; Yoon, DH

JOURNAL OF APPLIED PHYSICS 95 ( 6 ) 3063 - 3068 2004年03月15日

ISSN: 0021-8979

DOI
Simple and accurate method to evaluate tunneling splitting in polyatomic molecules

Mil'nikova, GV; Yagi, K; Taketsugu, T; Nakamura, H; Hirao, K

JOURNAL OF CHEMICAL PHYSICS 120 ( 11 ) 5036 - 5045 2004年03月15日

ISSN: 0021-9606

DOI
Comparisons of force fields for proteins by generalized-ensemble simulations

Yoda, T; Sugita, Y; Okamoto, Y

CHEMICAL PHYSICS LETTERS 386 ( 4-6 ) 460 - 467 2004年03月11日

ISSN: 0009-2614

DOI
A bowl-shaped fullerene encapsulates a water into the cage

Iwamatsu, S; Uozaki, T; Kobayashi, K; Re, SY; Nagase, S; Murata, S

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 9 ) 2668 - 2669 2004年03月10日

ISSN: 0002-7863

DOI
Syntheses and electrochemical properties of ruthenium(II) complexes with 4,4′-bipyrimidine and 4,4′-bipyrimidinium ligands

Fujihara, T; Wada, T; Tanaka, K

INORGANICA CHIMICA ACTA 357 ( 4 ) 1205 - 1212 2004年03月10日

ISSN: 0020-1693

DOI
Cu L2,3-edge X-ray absorption spectra of (2,5-dimethyl-N,N′-dicyanoquinonediimine)2Li1-xCux alloys

Hatsui, T; Yamamoto, T; Tajima, H; Kosugi, N

CHEMICAL PHYSICS 298 ( 1-3 ) 189 - 193 2004年03月08日

ISSN: 0301-0104

DOI
Formation of air stable carbon-skinned iron nanocrystals from FeC2

Kosugi, K; Bushiri, MJ; Nishi, N

APPLIED PHYSICS LETTERS 84 ( 10 ) 1753 - 1755 2004年03月08日

ISSN: 0003-6951

DOI
Fabrication of ferromagnetic nanocluster rods by magnetic trapping

Huh, SH; Nakajima, A; Kaya, K

JOURNAL OF APPLIED PHYSICS 95 ( 5 ) 2732 - 2736 2004年03月01日

ISSN: 0021-8979

DOI
Fundamental optical properties and electronic structure of langasite La3Ga5SiO14 crystals -: art. no. 115120

Kitaura, M; Mochizuki, K; Inabe, Y; Itoh, M; Nakagawa, H; Oishi, S

PHYSICAL REVIEW B 69 ( 11 ) 2004年03月

ISSN: 2469-9950

DOI
On the determination of caustics

Oloyede, P; Mil'Nikov, G; Nakamura, H

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 3 ( 1 ) 91 - 102 2004年03月

ISSN: 0219-6336

DOI
Saturation factors of pump absorption in solid-state lasers

Sato, Y; Taira, T

IEEE JOURNAL OF QUANTUM ELECTRONICS 40 ( 3 ) 270 - 280 2004年03月

ISSN: 0018-9197

DOI
Temperature development of homo- and hetero-clustering in saturated vapors

Slanina, Z

JOURNAL OF CLUSTER SCIENCE 15 ( 1 ) 3 - 11 2004年03月

ISSN: 1040-7278

DOI
3D-morphological chirality induction in zinc silicate membrane tube using a high magnetic field

Uechi, I; Katsuki, A; Dunin-Barkovskiy, L; Tanimoto, Y

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 8 ) 2527 - 2530 2004年02月26日

ISSN: 1520-6106

DOI
Combined spectroscopic and theoretical study of narrow band gap heterocyclic co-oligomers containing alternating aromatic donor and o-quinoid acceptor units

Delgado, MCR; Hernández, V; Navarrete, JTL; Tanaka, S; Yamashita, Y

JOURNAL OF PHYSICAL CHEMISTRY B 108 ( 8 ) 2516 - 2526 2004年02月26日

ISSN: 1520-6106

DOI
Mn3(HCOO)6:: a 3D porous magnet of diamond framework with nodes of Mn-centered MnMn4 tetrahedron and guest-modulated ordering temperature

Wang, ZM; Zhang, B; Fujiwara, H; Kobayashi, H; Kurmoo, M

CHEMICAL COMMUNICATIONS ( 4 ) 416 - 417 2004年02月21日

ISSN: 1359-7345

DOI
Magnetic field effects on the decay rates of triplet biradical photogenerated from intramolecular electron-transfer in a zinc-tetraphenylporphyrin-fullerene linked compound

Yonemura, H; Nobukuni, H; Moribe, S; Yamada, S; Fujiwara, Y; Tanimoto, Y

CHEMICAL PHYSICS LETTERS 385 ( 5-6 ) 417 - 422 2004年02月16日

ISSN: 0009-2614

DOI
Optical pulse compression using cascaded quadratic nonlinearities in periodically poled lithium niobate

Ashihara, S; Shimura, T; Kuroda, K; Yu, NE; Kurimura, S; Kitamura, K; Cha, M; Taira, T

APPLIED PHYSICS LETTERS 84 ( 7 ) 1055 - 1057 2004年02月16日

ISSN: 0003-6951

DOI
Approximate on-top pair density into one-body functions for CAS-DFT

Takeda, R; Yamanaka, S; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 96 ( 5 ) 463 - 473 2004年02月15日

ISSN: 0020-7608

DOI
Ca@C82 isomers: Computed temperature dependency of relative concentrations

Slanina, Z; Kobayashi, K; Nagase, S

JOURNAL OF CHEMICAL PHYSICS 120 ( 7 ) 3397 - 3400 2004年02月15日

ISSN: 0021-9606

DOI
Teflon photonic crystal fiber as terahertz waveguide

Goto, M; Quema, A; Takahashi, H; Ono, S; Sarukura, N

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 43 ( 2B ) L317 - L319 2004年02月15日

ISSN: 0021-4922

DOI
Multiplet-specific N 1s photoelectron angular distributions from the fixed-in-space NO molecules

Hosaka, K; Adachi, J; Takahashi, M; Yagishita, A; Lin, P; Lucchese, RR

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 37 ( 3 ) L49 - L55 2004年02月14日

ISSN: 0953-4075

DOI
A site-specific ESR spin-labeling study of molecular motion in microphase-separated polystyrene-block-poly(methyl acrylate) with lamellar morphology

Miwa, Y; Yamamoto, K; Sakaguchi, M; Sakai, M; Tanida, K; Hara, S; Okamoto, S; Shimada, S

MACROMOLECULES 37 ( 3 ) 831 - 839 2004年02月10日

ISSN: 0024-9297

DOI
Deposition of DPPC monolayers by the Langmuir-Blodgett method on SiO2 surfaces covered by octadecyltrichlorosilane self-assembled monolayer islands

Takizawa, M; Kim, YH; Urisu, T

CHEMICAL PHYSICS LETTERS 385 ( 3-4 ) 220 - 224 2004年02月09日

ISSN: 0009-2614

DOI
Direct time-domain observation of ultrafast dephasing in adsorbate-substrate vibration under the influence of a hot electron bath: Cs adatoms on Pt(111)

Watanabe, K; Takagi, N; Matsumoto, Y

PHYSICAL REVIEW LETTERS 92 ( 5 ) 2004年02月06日

ISSN: 0031-9007

DOI
Lanthanum endohedral metallofulleropyrrolidines: Synthesis, isolation, and EPR characterization

Cao, BP; Wakahara, T; Maeda, Y; Han, AH; Akasaka, T; Kato, T; Kobayashi, K; Nagase, S

CHEMISTRY-A EUROPEAN JOURNAL 10 ( 3 ) 716 - 720 2004年02月06日

ISSN: 0947-6539

DOI
Free energy calculations for DNA base stacking by replica-exchange umbrella sampling

Murata, K; Sugita, Y; Okamoto, Y

CHEMICAL PHYSICS LETTERS 385 ( 1-2 ) 1 - 7 2004年02月02日

ISSN: 0009-2614

DOI
Broadband terahertz radiation emitter using femtosecond-laser-irradiated n-type InAs under magnetic field

Takahashi, H; Hasselbeck, MP; Quema, A; Goto, M; Ono, S; Sarukura, N

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS 43 ( 2A ) L221 - L223 2004年02月01日

ISSN: 0021-4922

DOI
Exciton migration dynamics in a dendritic molecule:: Quantum master equation approach using ab initio molecular orbital configuration interaction method

Nakano, M; Takahata, M; Yamada, S; Yamaguchi, K; Kishi, R; Nitta, T

JOURNAL OF CHEMICAL PHYSICS 120 ( 5 ) 2359 - 2367 2004年02月01日

ISSN: 0021-9606

DOI
Composition dependence of energy structure and lattice structure in InGaAs/GaP

Fuchi, S; Nonogaki, Y; Moriya, H; Koizumi, A; Fujiwara, Y; Takeda, Y

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES 21 ( 1 ) 36 - 44 2004年02月

ISSN: 1386-9477

DOI
Cyclobutadiene dianion

Matsuo, T; Sekiguchi, A

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 77 ( 2 ) 211 - 226 2004年02月

ISSN: 0009-2673

DOI
Effects of a high magnetic field on the growth of 3-dimensional silver dendrites

Katsuki, A; Uechi, I; Tanimoto, Y

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 77 ( 2 ) 275 - 279 2004年02月

ISSN: 0009-2673

DOI
Ferroelectric phase transition, ionicity condensation, and multicriticality in charge-transfer organic complexes

Kishine, J; Luty, T; Yonemitsu, K

PHYSICAL REVIEW B 69 ( 7 ) 2004年02月

ISSN: 1098-0121

DOI
Non-contact atomic force microscopy using silicon cantilevers covered with organic monolayers via silicon-carbon covalent bonds

Ara, M; Sasahara, A; Onishi, H; Tada, H

NANOTECHNOLOGY 15 ( 2 ) S65 - S68 2004年02月

ISSN: 0957-4484

DOI
Vibronic coupling between soret and higher energy excited states in iron(II) porphyrins:: Raman excitation profiles of A2g modes in the soret region

Egawa, T; Suzuki, N; Dokoh, T; Higuchi, T; Shimada, H; Kitagawa, T; Ishimura, Y

JOURNAL OF PHYSICAL CHEMISTRY A 108 ( 4 ) 568 - 577 2004年01月29日

ISSN: 1089-5639

DOI
Highly oxygenated fullerene anions C60On- formed by corona discharge ionization in the gas phase

Tanaka, H; Takeuchi, K; Negishi, Y; Tsukuda, T

CHEMICAL PHYSICS LETTERS 384 ( 4-6 ) 283 - 287 2004年01月26日

ISSN: 0009-2614

DOI
Molecular paramagnetic semiconductor:: Crystal structures and magnetic and conducting properties of the Ni(dmit)2 salts of 6-oxoverdazyl radical cations (dmit=1,3-dithiol-2-thione-4,5-dithiolate)

Mukai, K; Senba, N; Hatanaka, T; Minakuchi, H; Ohara, K; Taniguchi, M; Misaki, Y; Hosokoshi, Y; Ino … 全著者表示

INORGANIC CHEMISTRY 43 ( 2 ) 566 - 576 2004年01月26日

ISSN: 0020-1669

DOI
Asymmetric allylic amination in water catalyzed by an amphiphilic resin-supported chiral palladium complex

Uozumi, Y; Tanaka, H; Shibatomi, K

ORGANIC LETTERS 6 ( 2 ) 281 - 283 2004年01月22日

ISSN: 1523-7060

DOI
Infrared electronic absorption in a single-component molecular metal

Kobayashi, A; Sasa, M; Suzuki, W; Fujiwara, E; Tanaka, H; Tokumoto, M; Okano, Y; Fujiwara, H; Kobay … 全著者表示

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126 ( 2 ) 426 - 427 2004年01月21日

ISSN: 0002-7863

DOI
C72 isomers:: the IPR-satisfying cage is disfavored by both energy and entropy

Slanina, Z; Ishimura, K; Kobayashi, K; Nagase, S

CHEMICAL PHYSICS LETTERS 384 ( 1-3 ) 114 - 118 2004年01月19日

ISSN: 0009-2614

DOI
Laser emission under 4F5/2 and 4F3/2 pumping in Nd:LSB micro-laser

Jang, WK; Taira, T; Sato, Y; Yu, YM

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS 43 ( 1A-B ) L70 - L72 2004年01月15日

ISSN: 0021-4922

DOI
Surface photovoltage effect and its time dependence in GaAs-GaAsP superlattice studied with combination of synchrotron and laser radiation

Tanaka, S; Nishitani, T; Nakanishi, T; Moré, SD; Azuma, J; Takahashi, K; Watanabe, O; Kamada, M

JOURNAL OF APPLIED PHYSICS 95 ( 2 ) 551 - 556 2004年01月15日

ISSN: 0021-8979

DOI
Theoretical analysis of the oxygen insertion process in the oxidation reactions of H2O+H/Si(100) and 2H+H2O/Si(100):: a molecular orbital calculation and an analysis of tunneling reaction

Watanabe, H; Nanbu, S; Wang, ZH; Maki, J; Urisu, T; Aoyagi, M; Ooi, K

CHEMICAL PHYSICS LETTERS 383 ( 5-6 ) 523 - 527 2004年01月15日

ISSN: 0009-2614

DOI
Monte Carlo simulations in multibaric-multithermal ensemble

Okumura, H; Okamoto, Y

CHEMICAL PHYSICS LETTERS 383 ( 3-4 ) 391 - 396 2004年01月08日

ISSN: 0009-2614

DOI
Prediction of transmembrane helix configurations by replica-exchange simulations

Kokubo, H; Okamoto, Y

CHEMICAL PHYSICS LETTERS 383 ( 3-4 ) 397 - 402 2004年01月08日

ISSN: 0009-2614

DOI
Formulation of unrestricted and restricted Hartree-Fock-Bogoliubov equations

Yamaki, D; Ohsaku, T; Nagao, H; Yamaguchi, K

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 96 ( 1 ) 10 - 16 2004年01月05日

ISSN: 0020-7608

DOI
Visible photoluminescence from nearly monodispersed Au12 clusters protected by meso-2,3-dimercaptosuccinic acid

Negishi, Y; Tsukuda, T

CHEMICAL PHYSICS LETTERS 383 ( 1-2 ) 161 - 165 2004年01月01日

ISSN: 0009-2614

DOI
2D molecular square grid of cobalt(II) with tridentate phenylglycinate and mandelate: structure and magnetism

Kumagai, H; Oka, Y; Inoue, K; Kurmoo, M

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 65 ( 1 ) 55 - 60 2004年01月

ISSN: 0022-3697

DOI
4,5-diiodo[1,2,5]thiadiazolotetrathiafulvalene

Tomura, M; Yamashita, Y

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 60 O63 - O65 2004年01月

ISSN: 1600-5368

DOI
Density-functional calculations and eigenchannel analyses for electron transport in Al and Si atomic wires

Okano, S; Shiraishi, K; Oshiyama, A

PHYSICAL REVIEW B 69 ( 4 ) 2004年01月

ISSN: 2469-9950

DOI
Dioxygen reactivity of copper(I) complexes with tetradentate tripodal ligands having aliphatic nitrogen donors: Synthesis, structures, and properties of peroxo and superoxo complexes

Komiyama, K; Furutachi, H; Nagatomo, S; Hashimoto, A; Hayashi, H; Fujinami, S; Suzuki, M; Kitagawa, … 全著者表示

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 77 ( 1 ) 59 - 72 2004年01月

ISSN: 0009-2673

DOI
New luminescent bands induced by plastic deformation of NaCl:Eu phosphors

Ossipyan, YA; Morgunov, RB; Baskakov, AA; Shmurak, SZ; Tanimoto, Y

PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE 201 ( 1 ) 148 - 156 2004年01月

ISSN: 1862-6300

DOI
Polar solvation dynamics: A combination of the reference interaction-site model and mode-coupling theories

Nishiyama, K; Yamaguchi, T; Hirata, F; Okada, T

PURE AND APPLIED CHEMISTRY 76 ( 1 ) 71 - 77 2004年01月

ISSN: 0033-4545

DOI
Scanning tunneling microscopy of Dy@C82 and Dy@C60 adsorbed on Si(111)-(7x7) surfaces -: art. no. 045415

Fujiki, S; Kubozono, Y; Hosokawa, T; Kanbara, T; Fujiwara, A; Nonogaki, Y; Urisu, T

PHYSICAL REVIEW B 69 ( 4 ) 2004年01月

ISSN: 2469-9950

DOI
Three-pairs of doublet bands assigned to SiH2 scissoring modes observed in H2O-induced oxidation of Si(100) surfaces

Wang, ZH; Urisu, T; Nanbu, S; Maki, J; Rao, GR; Aoyagi, M; Watanabe, H; Ooi, K

PHYSICAL REVIEW B 69 ( 4 ) 2004年01月

ISSN: 2469-9950

DOI
Adhesion mechanism of metal impurities on Si wafers in alkali solution

Hoshino, T; Hata, M; Neya, S; Morinaga, H

JOURNAL OF THE ELECTROCHEMICAL SOCIETY 151 ( 9 ) G590 - G597 2004年

ISSN: 0013-4651

DOI
Anionic NaCl-type frameworks of [MnII(HCOO)3-], templated by alkylammonium, exhibit weak ferromagnetism

Wang, ZM; Zhang, B; Otsuka, T; Inoue, K; Kobayashi, H; Kurmoo, M

DALTON TRANSACTIONS ( 15 ) 2209 - 2216 2004年

ISSN: 1477-9226

DOI
B3LYP/6-31G* computations of C60F36(g) isomers

Slanina, Z; Boltalina, OV; Kobayashi, K; Nagase, S

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 12 ( 3 ) 691 - 695 2004年

ISSN: 1536-383X

DOI
Chemical control of valence tautomerism of nickel(II) semiquinone and nickel(III) catecholate states

Ohtsu, H; Tanaka, K

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 43 ( 46 ) 6301 - 6303 2004年

ISSN: 1433-7851

DOI
Formation of an iron(II) carbene-thiolato complex by insertion of carbon monoxide into an Si-C bond

Yuki, M; Matsuo, T; Kawaguchi, H

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 43 ( 11 ) 1404 - 1407 2004年

ISSN: 1433-7851

DOI
Four-stage amphoteric redox properties and biradicaloid character of tetra-tert-butyldicyclopenta[b;d]thieno[1,2,3-cd;5,6,7-c′d′]diphenalene

Kubo, T; Sakamoto, M; Akabane, M; Fujiwara, Y; Yamamoto, K; Akita, M; Inoue, K; Takui, T; Nakasuji, … 全著者表示

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 43 ( 47 ) 6474 - 6479 2004年

ISSN: 1433-7851

DOI
Magnetoresonant hardening of silicon single crystals

Ossipyan, YA; Morgunov, RB; Baskakov, AA; Orlov, AM; Skvortsov, AA; Inkina, EN; Tanimoto, Y

JETP LETTERS 79 ( 3 ) 126 - 130 2004年

ISSN: 0021-3640

DOI
Optical properties of new organic conductors based on the BEDT-TSeF molecule (the κ-(BETS)4Hg2.84Br8 superconductor and κ-(BETS)4Hg3Cl8 metal) in the range 300-15 K

Vlasova, RM; Drichko, NV; Petrov, BV; Semkin, VN; Zhilyaeva, EI; Lyubovskaya, RN; Olejniczak, I; Ko … 全著者表示

PHYSICS OF THE SOLID STATE 46 ( 11 ) 1985 - 1993 2004年

ISSN: 1063-7834

DOI
Origin of diastereoselection in the hydrosilylation of chiral N-acyliminium intermediates derived from pyroglutamic acid

Oba, M; Koguchi, S; Nishiyama, K; Kaneno, D; Tomoda, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 43 ( 18 ) 2412 - 2415 2004年

ISSN: 1433-7851

DOI
Origin of the diastereofacial selectivity in the nucleophilic addition to chiral acyclic ketones. An ab initio MO study

Takahashi, O; Saito, K; Kohno, Y; Suezawa, H; Ishihara, S; Nishio, M

NEW JOURNAL OF CHEMISTRY 28 ( 3 ) 355 - 360 2004年

ISSN: 1144-0546

DOI
Recent progress in polymeric palladium catalysts for organic synthesis

Uozumi, Y

IMMOBILIZED CATALYSTS 242 77 - 112 2004年

ISBN: 3-540-20915-8

ISSN: 0340-1022

DOI
Rotation of F1-ATPase:: How an ATP-driven molecular machine may work

Kinosita, K; Adachi, K; Itoh, H

ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE 33 245 - 268 2004年

ISSN: 1056-8700

DOI
Side-wall opening of single-walled carbon nanotubes (SWCNTs) by chemical modification: A critical theoretical study

Chen, ZF; Nagase, S; Hirsch, A; Haddon, RC; Thiel, W; Schleyer, PV

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 43 ( 12 ) 1552 - 1554 2004年

ISSN: 1433-7851

DOI
Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups

Komuro, T; Matsuo, T; Kawaguchi, H; Tatsumi, K

DALTON TRANSACTIONS ( 10 ) 1618 - 1625 2004年

ISSN: 1477-9226

DOI
The pressure effect on the antiferromagnetic and superconducting transitions of κ-(BETS)2FeBr4

Otsuka, T; Cui, HB; Fujiwara, H; Kobayashi, H; Fujiwara, E; Kobayashi, A

JOURNAL OF MATERIALS CHEMISTRY 14 ( 11 ) 1682 - 1685 2004年

ISSN: 0959-9428

DOI
Three-dimensional chiral molecule-based ferrimagnet with triple-helical-strand structure

Imai, H; Inoue, K; Kikuchi, K; Yoshida, Y; Ito, M; Sunahara, T; Onaka, S

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 43 ( 42 ) 5618 - 5621 2004年

ISSN: 1433-7851

DOI
Ultraviolet photoelectron spectroscopy of two titanium metal atoms encapsulated metallofullerenes, Ti2@C80 and Ti2@C84

Hino, SJ; Iwasaki, K; Wanita, N; Yoshimura, D; Cao, BP; Okazaki, T; Shinohara, H

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES 12 ( 1-2 ) 33 - 39 2004年

ISSN: 1536-383X

DOI
Exchange interaction in core excitation of diatomic systems

Kosugi, N

CHEMICAL PHYSICS 289 ( 1 ) 117 - 134 2003年04月01日

ISSN: 0301-0104

DOI
Anisotropic absorption spectra of polyester films in the ultraviolet and vacuum ultraviolet regions

Ouchi, I; Nakai, I; Kamada, M

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 199 270 - 274 2003年01月

ISSN: 0168-583X

DOI

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