Theoretical illumination of water-inserted structures of the CaMn4O5 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, Y. Umena, K. Kawakami, N. Kamiya, J.-R. Shen, K. Yamaguchi
2012 Dalton Transactions  
doi:10.1039/c2dt31420g pmid:23037319 fatcat:hbjqrsrr6jcbjbtesh3gdswsvi