Full geometry optimizations of the mixed-valence CaMn4O4X(H2O)4(X=OH or O) cluster in OEC of PS II: Degree of symmetry breaking of the labile Mn-X-Mn bond revealed by several hybrid DFT calculations
出版年份 2012 全文链接
标题
Full geometry optimizations of the mixed-valence CaMn4O4X(H2O)4(X=OH or O) cluster in OEC of PS II: Degree of symmetry breaking of the labile Mn-X-Mn bond revealed by several hybrid DFT calculations
作者
关键词
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出版物
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 113, Issue 4, Pages 525-541
出版商
Wiley
发表日期
2012-04-13
DOI
10.1002/qua.24117
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