Domain-based local pair natural orbital CCSD(T) calculations of fourteen different S2 intermediates for water oxidation in the Kok cycle of OEC of PSII. Re-visit to one LS-two HS model for the S2 state
| Autor: | Miyagawa, K., Isobe, H., Kawakami, T., Shoji, M., Yamanaka, S., Okumura, M., Nakajima, T., Yamaguchi, K. |
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| Zdroj: | In Chemical Physics Letters November 2019 734 |
| Databáze: | ScienceDirect |
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