Show simple item record

dc.creatorHarrison, James F.en_US
dc.descriptionAuthor Institution: Michigan State University, East Lansing, MI 48824-1322en_US
dc.description.abstractThe electronic structures of the titled transition metal nitrides have been studied, using MCSCF and MCSCF + 1 + 2 levels of theory. In this talk, we will discuss the dissociation energies, bond lengths, vibrational frequencies, and dipole moments for the ground and low-lying excited states. These results will be compared to experiment and previous theoretical studies.en_US
dc.format.extent23359 bytes
dc.publisherOhio State Universityen_US
dc.titleElectronic Structure of ScN, TiN, VN, and CrNen_US

Files in this item


Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.

This item appears in the following Collection(s)

Show simple item record