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Electronic structure of CO—An exercise in modern chemical bonding theory

✍ Scribed by Gernot Frenking; Christoph Loschen; Andreas Krapp; Stefan Fau; Steven H. Strauss

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
210 KB
Volume
28
Category
Article
ISSN
0192-8651

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✦ Synopsis

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

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