QM/MM study on the role of Ca ion in the oxygen-evolving complex of photosystem II

Presentation information

Academic Program (AP)

Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Sun. Mar 17, 2019 1:10 PM - 5:20 PM D6 (336, Bldg. 3 [3F])

2D6-26～2D6-31　HARUTA, Naoki
2D6-33～2D6-36　SUGIMOTO, Manabu
2D6-39～2D6-42　SUGISAKI, Kenji
2D6-45～2D6-49　OKUMURA, Mitutaka

3:30 PM - 3:50 PM

○SHOJI, Mitsuo; ISOBE, Hiroshi; SHIGETA, Yasuteru; NAKAJIMA, Takahito; YAMAGUCHI, Kizashi (CCS, Univ. of Tsukuba)

PC Setting Time : 15:10 - 15:20

Keywords:water-splitting reaction、reaction mechanism、water insertion reaction、S state、W3

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