Relative stability between the manganese hydroxide- and oxo-models for water oxidation by CCSD, DMRG CASCI, CASSCF, CASPT2 and CASDFT methods; Importance of static and dynamical electron correlation effects for OEC of PSII

Autor: Kawakami, T., Miyagawa, K., Isobe, H., Shoji, M., Yamanaka, S., Katouda, M., Nakajima, T., Nakatani, K., Okumura, M., Yamaguchi, K.
Zdroj: In Chemical Physics Letters August 2018 705:85-91
Databáze: ScienceDirect
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