松井亨 (Toru Matsui) - 論文 - researchmap

論文

40

表示件数

A Theoretical Study on Redox Potential and pK(a) of [2Fe-25] Cluster Model from Iron-Sulfur Proteins

Kurniawan Isman, Kawaguehi Kazutomo, Shoji Mitsuo, Matsui Toru, Shigeta Yasuteru, Nagao Hidemi

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 91(9) 1451 - 1456 2018年9月査読有り
A computational scheme of pK_a values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme.

Fujiki R, Kasai Y, Seno Y, Matsui T, Shigeta Y, Yoshida N, Nakano H

Physical chemistry chemical physics : PCCP 2018年8月査読有り
Molecular Dynamics and Quantum Chemical Approach for the Estimation of an Intramolecular Hydrogen Bond Strength in Okadaic Acid

Matsui Toru, Yamamoto Kanako, Fujita Takehiro, Morihashi Kenji

JOURNAL OF PHYSICAL CHEMISTRY B 122(29) 7233 - 7242 2018年7月26日査読有り
Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors

Takehiro Fujita, Toru Matsui, Masato Sumita, Yutaka Imamura, Kenji Morihashi

Chemical Physics Letters 693 188 - 193 2018年2月1日査読有り
Theoretical study on relationship between spin structure and electron conductivity of one-dimensional tri-nickel(II) complex

Yasutaka Kitagawa, Mizuki Asaoka, Yoshiki Natori, Koji Miyagi, Rena Teramoto, Toru Matsui, Yasuteru Shigeta, Mitsutaka Okumura, Masayoshi Nakano

POLYHEDRON 136 125 - 131 2017年11月査読有り
Assessment of Methodology and Chemical Group Dependences in the Calculation of the pK(a) for Several Chemical Groups

Toru Matsui, Yasuteru Shigeta, Kenji Morihashi

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13(10) 4791 - 4803 2017年10月査読有り
A Theoretical Guideline for Designing Effective Host Materials Based on 4,4 '-Bis(9-carbazolyl)-1,1 '-biphenyl Derivatives for Blue Phosphorescent Devices

Tomohiro Oshiyama, Noriko Yasukawa, Hiroshi Kita, Toru Matsui, Masato Sumita, Kenji Morihashi

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 90(2) 195 - 204 2017年2月査読有り
Theoretical Estimation of Effect of Conjugation Length and Side Chain in Charge Recombination Process in Poly(para-phenylenevinylene)

Koharu Aikawa, Toru Matsui, Kenji Morihashi

CHEMISTRY LETTERS 45(6) 628 - 630 2016年6月査読有り
Accurate Standard Hydrogen Electrode Potential and Applications to the Redox Potentials of Vitamin C and NAD/NADH

Toru Matsui, Yasutaka Kitagawa, Mitsutaka Okumura, Yasuteru Shigeta

JOURNAL OF PHYSICAL CHEMISTRY A 119(2) 369 - 376 2015年1月査読有り
DFT and TD-DFT studies of electronic structures and one-electron excitation states of a cyanide-bridged molecular square complex

Yasutaka Kitagawa, Mizuki Asaoka, Koji Miyagi, Toru Matsui, Masayuki Nihei, Hiroshi Oshio, Mitsutaka Okumura, Masayoshi Nakano

INORGANIC CHEMISTRY FRONTIERS 2(8) 771 - 779 2015年査読有り
A Density Functional Study on the pKa of Small Polyprotic Molecules

Takeshi Baba, Toru Matsui, Katsumasa Kamiya, Masayoshi Nakano, Yasuteru Shigeta

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 114(17) 1128 - 1134 2014年9月査読有り
Nylon-Oligomer Hydrolase Promoting Cleavage Reactions in Unnatural Amide Compounds

Katsumasa Kamiya, Takeshi Baba, Mauro Boero, Toru Matsui, Seiji Negoro, Yasuteru Shigeta

JOURNAL OF PHYSICAL CHEMISTRY LETTERS 5(7) 1210 - 1216 2014年4月査読有り
DFT calculations of effective exchange integrals at the complete basis set limit on oxo-vanadium ring complex

Yasutaka Kitagawa, Toru Matsui, Natsumi Yasuda, Hiroshi Hatake, Takashi Kawakami, Shusuke Yamanaka, Masayuki Nihei, Mitsutaka Okumura, Hiroki Oshio, Kizashi Yamaguchi

POLYHEDRON 66 97 - 101 2013年12月査読有り
Consistent scheme for computing standard hydrogen electrode and redox potentials

Toru Matsui, Yasutaka Kitagawa, Mitsutaka Okumura, Yasuteru Shigeta, Shigeyoshi Sakaki

JOURNAL OF COMPUTATIONAL CHEMISTRY 34(1) 21 - 26 2013年1月査読有り
Theoretical studies of electronic structures, magnetic properties and electron conductivities of one-dimensional Ni-n (n=3, 5, 7) complexes

Yasutaka Kitagawa, Toru Matsui, Yasuyuki Nakanishi, Yasuteru Shigeta, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

DALTON TRANSACTIONS 42(45) 16200 - 16208 2013年査読有り
Temperature-Independent Stereoselectivity in Intramolecular Cycloaddition of Ketene Generated from Diazoester in Solution and in Vapor Phase: How Entropy Term Governs the Selectivity

Takashi Sugimura, Eigo Mitani, Takahiro Tei, Tadashi Okuyama, Katsumasa Kamiya, Toru Matsui, Yasuteru Shigeta

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 85(4) 504 - 510 2012年4月査読有り
Theoretical Insight into Stereoselective Reaction Mechanisms of 2,4-Pentanediol-Tethered Ketene-Olefin [2+2] Cycloaddition

Katsumasa Kamiya, Toru Matsui, Takashi Sugimura, Yasuteru Shigeta

JOURNAL OF PHYSICAL CHEMISTRY A 116(4) 1168 - 1175 2012年2月査読有り
An accurate density functional theory based estimation of pK(a) values of polar residues combined with experimental data: from amino acids to minimal proteins

Toru Matsui, Takeshi Baba, Katsumasa Kamiya, Yasuteru Shigeta

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14(12) 4181 - 4187 2012年査読有り
Theoretical Studies on Metal-Containing Artificial DNA Bases

Toru Matsui, Hideaki Miyachi, Yasuteru Shigeta

ADVANCES IN THE THEORY OF QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS 22 433 - 460 2012年査読有り
Theoretical Study on Reaction Scheme of Silver(I) Containing 5-Substituted Uracils Bridge Formation

Toru Matsui, Hideaki Miyachi, Takeshi Baba, Yasuteru Shigeta

JOURNAL OF PHYSICAL CHEMISTRY A 115(30) 8504 - 8510 2011年8月査読有り

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