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(A)The reaction coordinate of O2 binding by Hc. View along the O-O (Top) and perpendicular to initial Cu2O2 plane (bottom). (B) Potential-energy surfaces for the interconversion of OxyHc and DeoxyHc in triplet and Singlet state. R:d(X-X) is the distance between the center of the O-O and Cu-Cu vectors. R:d(X-X) <~0.6 and >~0.6 represents symmetric and non-symmetric O2 coordination, respectively.
