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J. E. Newton and M. B. Hall, “Generalized Molecular Orbital Calculations on Transition-Metal Dioxygen Complexes: Models for Iron and Cobalt Porphyrins,” Inorganic Chemistry, Vol. 23, No. 26, 1984, pp. 4627-4632.
http://dx.doi.org/10.1021/ic00194a043

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