Relative stability among intermediate structures in S2 state of CaMn4O5 cluster in PSII by using hybrid-DFT and DLPNO-CC methods and evaluation of magnetic interactions between Mn ions
出版年份 2020 全文链接
标题
Relative stability among intermediate structures in S2 state of CaMn4O5 cluster in PSII by using hybrid-DFT and DLPNO-CC methods and evaluation of magnetic interactions between Mn ions
作者
关键词
OEC PSII, CaMn, 4, O, 5, cluster, Hybrid DFT method, DLPNO-CC method, Effective exchange integrals, One g2 two g4 model
出版物
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
Volume 405, Issue -, Pages 112923
出版商
Elsevier BV
发表日期
2020-09-18
DOI
10.1016/j.jphotochem.2020.112923
参考文献
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