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- Title
Electronic structure of CO—An exercise in modern chemical bonding theory.
- Authors
Frenking, Gernot; Loschen, Christoph; Krapp, Andreas; Fau, Stefan; Strauss, Steven H.
- Abstract
This paper discusses recent progress that has been made in the understanding of the electronic structure and bonding situation of carbon monoxide which was analyzed using modern quantum chemical methods. The new results are compared with standard models of chemical bonding. The electronic charge distribution and the dipole moment, the nature of the HOMO and the bond dissociation energy are discussed in detail. © 2006 Wiley Periodicals, Inc. J Comput Chem, 2006
- Subjects
ELECTRONIC structure; CHEMICAL bonds; CARBON monoxide; DIPOLE moments; MAGNETIC dipoles
- Publication
Journal of Computational Chemistry, 2007, Vol 28, Issue 1, p117
- ISSN
0192-8651
- Publication type
Article
- DOI
10.1002/jcc.20477