Isolobal and isospin analogy between organic and inorganic open-shell molecules—Application to oxygenation reactions by active oxygen and oxy-radicals and water oxidation in the native and artificial photosynthesis

Kizashi Yamaguchi a,b,c,*, Koichi Miyagawa d, Hiroshi Isobe e, Mitsuo Shoji d, Takashi Kawakami c,f, ShusukeYamanaka b,f

Advances in Quantum Chemistry: Volume 84, 2021, Pages 425-564


a The Institute of Scientific and Industrial Research, Osaka University, Osaka, Japan

b Center for Quantum Information and Quantum Biology (QIQB), Osaka University, Osaka, Japan

c RIKEN Center for Computational Science, Hyogo, Japan

d Center for Computational Sciences, University of Tsukuba, Ibaraki, Japan

e Graduate School of Natural Science and Technology, Okayama University, Okayama, Japan

f Graduate School of Science, Osaka University, Osaka, Japan