DFT calculations examine ligand stability in the S₃ state of photosystem II, suggesting new insights into its behavior.
DFT calculations within the low oxidation state (LOS) framework reveal that the Ox ligand in the S₃ state of photosystem II is conditionally stabilised, appearing under Mn1–ligand restraints and vanishing...
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Ariafard et al. (2026) studied this question.
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