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. Author manuscript; available in PMC: 2013 Oct 10.
Published in final edited form as: J Am Chem Soc. 2012 Oct 2;134(40):16701–16716. doi: 10.1021/ja306438n

Figure 10.

Figure 10

(A) The dependence on the calculated IE of the reduced model for different dipole orientations and distances; (B) the dependence on the calculated Sp-character in the β-LUMO of the oxidized model; and (C) orientations (1 – 5) of dipoles from the Cu-S(Cys) bond considered in the text.