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Hydration preferences for Mn 4 Ca cluster models of Photosystem II: location of potential substrate-water binding sites

Petrie, Simon; Stranger, Robert; Pace, Ronald

Description

Density functional theory calculations are reported on a set of three model structures of the Mn4Ca cluster in the water-oxidizing complex of Photosystem II (PSII), which share the structural formula [CaMn 4C9H10N2O16] q+•(H2O)n (q=-1, 0, 1, 2, 3; n=0-7

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
URI: http://hdl.handle.net/1885/60975
Source: Chemistry, A European Journal
DOI: 10.1002/chem.201001132

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