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Ab initio quantum calculation of the diabatic coupling matrix elements for the self-exchange redox couples M(Cp)(2)(0/+) (M = Fe, Co; Cp Cp = C5H5) Baik, Mu-Hyun; Crystal, JB; Friesner, RA, INORGANIC CHEMISTRY, v.41, no.23, pp.5926 - 5927, 2002-11 |
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