Electronic Structure of ScF, TiF, VF, CrF, and NiF
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Publisher:Ohio State University
The electronic structures of the titled transition metal fluorides have been studied at the MCSCF and MCSCF + 1 + 2 levels of theory. We will discuss the nature of the bonding in these systems and will report dissociation energies, bond lengths, and vibrational frequencies for the ground and several low-lying excited states.
Author Institution: Michigan State University, East Lansing, MI 48824-1322