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. Author manuscript; available in PMC: 2013 Apr 3.
Published in final edited form as: Curr Opin Chem Biol. 2012 Apr 3;16(1-2):11–18. doi: 10.1016/j.cbpa.2012.03.003

Fig 2.

Fig 2

Superposition of the new XRD model and the DFT-QM/MM S1 state model of the OEC (panel a). Comparison between experimental (red) and calculated (black) isotropic (panel b) and polarized (panel c) EXAFS spectra for the OEC of PSII in the S1 state calculated with the DFT-QM/MM and refined R-QM/MM model. Reproduced from Ref. 28**.