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

Kizashi Yamaguchi ^a,b,*, Koichi Miyagawa ^c,*, Mitsuo Shoji ^c,

Hiroshi Isobe ^d, Takashi Kawakami ^b,e,*

a Center for Quantum Information and Quantum Biology, Osaka University, Toyonaka, Osaka 560-0043, Japan

b RIKEN Center for Computational Science, Kobe, Hyogo 650-0047, Japan

c Center of Computational Sciences, Tsukuba University, Tsukuba, Ibaraki 305-8577, Japan

d Research Institute for Interdisciplinary Science, Okayama University, Okayama 700-8530, Japan

e Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan