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Density functional theory calculations are reported on a set of models of the water‐oxidising complex (WOC) of photosystem II (PSII), exploring structural features revealed in the most recent (1.9 Å resolution) X‐ray crystallographic studies of PSII. Crucially, we find that the variation in the Mn–Mn distances seen between the A and B monomers of this crystal structure can be entirely accounted for,...
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