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. Author manuscript; available in PMC: 2011 Dec 8.
Published in final edited form as: Chem Rev. 2010 Nov 4;110(12):6939–6960. doi: 10.1021/cr1001436

Fig. 4.

Fig. 4

Calculated free energy curves for the PCET reaction in a rhenium-tyrosine complex. In the center frame are slices of the free energy surfaces along a collective solvent coordinate. In the left/right frames are the reactant/product proton potential energy curves and the corresponding proton vibrational wavefunctions along the proton coordinate. Figure reprinted with permission from Ref. 137. Copyright 2007 American Chemical Society.