1. 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)
2. 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)
3. 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)
4. Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors Takehiro Fujita, Toru Matsui, Masato Sumita, Yutaka Imamura, Kenji Morihashi 693 188 - 193 (2018)
5. 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 136 125 - 131 (2017)
6. Assessment of Methodology and Chemical Group Dependences in the Calculation of the pK(a) for Several Chemical Groups Toru Matsui, Yasuteru Shigeta, Kenji Morihashi 13 (10) 4791 - 4803 (2017)
7. 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 90 (2) 195 - 204 (2017)
8. Theoretical Estimation of Effect of Conjugation Length and Side Chain in Charge Recombination Process in Poly(para-phenylenevinylene) Koharu Aikawa, Toru Matsui, Kenji Morihashi 45 (6) 628 - 630 (2016)
9. 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 119 (2) 369 - 376 (2015)
10. 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 2 (8) 771 - 779 (2015)

researchmap の論文リストを表示する Show the publication list on researchmap