Hydration preferences for Mn 4 Ca cluster models of Photosystem II: location of potential substrate-water binding sites
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Petrie, Simon
Stranger, Robert
Pace, Ronald
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Wiley-VCH Verlag GMBH
Abstract
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
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Chemistry, A European Journal
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2037-12-31
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