TITLE

Electronic states and nature of bonding in the molecule MoC by all electron ab initio calculations

AUTHOR(S)
Shim, Irene; Gingerich, Karl A.
PUB. DATE
May 1997
SOURCE
Journal of Chemical Physics;5/15/1997, Vol. 106 Issue 19, p8093
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Studies the electronic states and nature of bonding in the molecule MoC by all electron ab initio calculations. Basis sets and Hartree-Fock calculations on MoC; Results of multiconfiguration self-consistent field calculations; Dissociation energy of MoC.
ACCESSION #
4228017

 

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