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Xichen Li, Eduardo M. Sproviero, Ulf Ryde, Victor S. Batista and Guangju Chen Theoretical EXAFS studies of a model of the oxygen-evolving complex of photosystem II obtained with the quantum cluster approach International Journal of Quantum Chemistry 113

Article first published online: 22 MAY 2012 | DOI: 10.1002/qua.24143

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The oxygen-evolving complex (OEC) of photosystem II, containing a Mn4Ca cluster at its core, is the only natural system that can form O2 from water and sunlight. Quantum mechanical calculations based on a cluster model have suggested a possible structure and mechanism for OEC. In this article, the theoretically obtained structure is further refined and combined with a fit to polarized extended X-ray absorption fine structure data.

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