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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

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

Description

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

CollectionsANU Research Publications
Date published: 2012
Type: Journal article
URI: http://hdl.handle.net/1885/18186
Source: Physical Chemistry Chemical Physics
DOI: 10.1039/c2cp41020f

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