Modelling the metal atom positions of the Photosystem II water oxidising complex: a density functional theory appraisal of the 1.9 Å resolution crystal structure

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Petrie, Simon
Gatt, Phillip
Stranger, Robert
Pace, Ronald

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Royal Society of Chemistry

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Density functional theory (DFT) calculations are reported for a set of model compounds intended to represent the structure of the Photosystem II (PSII) water oxidising complex (WOC) as determined by the recent 1.9 Å resolution single crystal X-ray diffra

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Physical Chemistry Chemical Physics

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2037-12-31