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Structural, Magnetic Coupling and Oxidation State Trends in Models of the CaMn4 Cluster in Photosystem II

Petrie, Simon; Stranger, Robert; Pace, Ronald


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

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
Source: Chemistry, A European Journal
DOI: 10.1002/chem.200701865


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