A new assignment of the metal ionizations in the photoelectron spectrum of Mo2(O2CH)4 is proposed on the basis of ab initio SCF-MO calculations; such an assignment is consistent with the experimental spectrum and differs from that proposed on the basis of SCF-Xα-SW calculations.
I. H. Hillier, C. D. Garner, G. R. Mitcheson and M. F. Guest, J. Chem. Soc., Chem. Commun., 1978, 204 DOI: 10.1039/C39780000204
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