Structural, Magnetic Coupling and Oxidation State Trends in Models of the CaMn4 Cluster in Photosystem II
Density functional theory calculations are reported on a set of isomeric structures I, II and III that share the structural formula [CaMn 4C9H10N2O16] q+·(H2O)3 (q = -l, 0, 1, 2, 3). Species I has a skeletal structure, which has been previously identifie
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|Source:||Chemistry, A European Journal|
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