Electronic Structure of ScF, TiF, VF, CrF, and NiF
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Date
1995
Authors
Harrison, James F.
Herrera, Fernando L.
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
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.
Description
Author Institution: Michigan State University, East Lansing, MI 48824-1322