Theoretical illumination of water-inserted structures of the CaMn 4O5 cluster in the S2 and S3 states of oxygen-evolving complex of photosystem II: Full geometry optimizations by B3LYP hybrid density functional

H. Isobe, M. Shoji, S. Yamanaka, Yasufumi Umena, K. Kawakami, N. Kamiya, J. R. Shen, K. Yamaguchi

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