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

Gernot Frenking; Christoph Loschen; Andreas Krapp; F. A.U. Stefan; Steven H. Strauss

doi:10.1002/jcc.20477

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

Gernot Frenking, Christoph Loschen, Andreas Krapp, F. A.U. Stefan, Steven H. Strauss

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摘要

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.

源语言	英语
页（从-至）	117-126
页数	10
期刊	Journal of Computational Chemistry
卷	28
期	1
DOI	https://doi.org/10.1002/jcc.20477
出版状态	已出版 - 15 1月 2007
已对外发布	是

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KW - Dipole moment

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

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