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• W2154907845 startingPage "11744" @default.
• W2154907845 abstract "Split and polish: Quantum mechanics/molecular mechanics simulations reveal the role of spin surfaces, kinetics, and thermodynamics on the interconversion between two structural models of the {Mn4CaO5} cluster (see picture) in the S2 state of the water-splitting Kok's cycle in photosystem II. The results account for the temperature, illumination, and procedure dependence of historical EPR experiments and suggest a detailed pathway for the S2 to S3 transition." @default.
• W2154907845 created "2016-06-24" @default.
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• W2154907845 date "2013-09-25" @default.
• W2154907845 modified "2023-09-27" @default.
• W2154907845 title "The S₂State of the Oxygen-Evolving Complex of Photosystem II Explored by QM/MM Dynamics: Spin Surfaces and Metastable States Suggest a Reaction Path Towards the S₃State" @default.
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• W2154907845 doi "https://doi.org/10.1002/anie.201306667" @default.
• W2154907845 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3952239" @default.
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