School personnel information

写真b

YAMAGUCHI Kizashi


Organization 【 display / non-display

  • 1996.04.01 - 2007.03.31, Department of Chemistry, Graduate School of Science, Professor

  • 2007.04.01 - 2009.03.31, Center for Quantum Science and Technology under Extreme Conditions, Specially Appointed Professor

  • 2017.04.01 - , The Institute of Scientific and Industrial Research, Specially Appointed Professor

Education 【 display / non-display

Kyoto University Faculty of Engineering  Graduated 1966.03
Kyoto University Graduate School, Division of Engineering  Completed 1968.03
Osaka University Graduate School, Division of Engineering Science  Accomplished credits for doctoral program 1971.03
 

Academic Papers 【 display / non-display

  • Domain-based local pair natural orbital CCSD(T) calculations of fourteen different S-2 intermediates for water oxidation in the Kok cycle of OEC of PSII. Re-visit to one LS-two HS model for the S-2 state, K.Miyagawa, H.Isobe, T.Kawakami, M.Shoji, S.Yamanaka, M.Okumura, T.Nakajima, K.Yamaguchi, Chemical Physics Letters,734, UNSP 136731, 2019.11, Papers

  • Spin contamination errors on spin-polarized density functional theory/plane-wave calculations for crystals of one-dimensional materials, Tada Kohei, Tanaka Shingo, Kawakami Takashi, Kitagawa Yasutaka, Okumura Mitsutaka, Yamaguchi Kizashi, APPLIED PHYSICS EXPRESS,12(11), 115506(1-6), 2019.11, Other

  • Domain-based local pair natural orbital CCSD(T) calculations of six different S-1 structures of oxygen evolving complex of photosystem II. Proposal of multi-intermediate models for the S-1 state, K.Miyagawa, T.Kawakami, H.Isobe, M.Shoji, S.Yamanaka, K.Nakatani, M.Okumura, T.Nakajima, K.Yamaguchi, Chemical Physics Letters,732, UNSP 136660(1-8), 2019.10, Papers

  • An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser, Michihiro Suga, Fusamichi Akita, Keitaro Yamashita, Yoshiki Nakajima, Go Ueno, Hongjie Li, Takahiro Yamane, Kunio Hirata, Yasufumi Umena, Shinichiro Yonekura, Long-Jiang Yu, Hironori Murakami, Takashi Nomura, Tetsunari Kimura, Minoru Kubo, Seiki Baba, Takashi Kumasaka, Kensuke Tono, Makina Yabashi, Hiroshi Isobe, Kizashi Yamaguchi, Masaki Yamamoto, Hideo Ago, Jian-Ren Shen, Science,366(6463), 334-338, 2019.10, Papers

  • Elucidation of the entire Kok cycle for photosynthetic water oxidation by the large-scale quantum mechanics/molecular mechanics calculations: Comparison with the experimental results by the recent serial femtosecond crystallography, Mitsuo Shoji, Hiroshi Isobe, Jian-Ren Shen, Michihiro Suga, Fusamichi Akita, Koichi Miyagawa, Yasuteru Shigeta, Kizashi Yamaguchi, Chemical PHYSICS LETTERS,730, 416-425, 2019.09, Papers

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Books 【 display / non-display

  • Special, Introduction of Material oriented quantum chemistry, Kizahsi Yamaguchi, Masayoshi Nakano, Mitsutaka Okumura, Kohdansha, 2004.10

  • Special, Kagaku-binran, Masayoshi Nakano, Kizashi Yamaguchi, Maruzen, 2004.04

  • Special, "Polarizabilities and Hyperpolarizabilities of Dendritic Systems" in Advances in Multiphoton Processes and Spectroscopy, M. Nakano, K. Yamaguchi, World Scientific, 2003.04