Title: Bond Orders and Their Relationships with Cumulant and Unpaired Electron Densities
Abstract:This paper reports the relationships among different covalent bond-order concepts, second-order cumulant densities, and atomic populations of effectively unpaired electrons. This framework leads to th...This paper reports the relationships among different covalent bond-order concepts, second-order cumulant densities, and atomic populations of effectively unpaired electrons. This framework leads to the derivation of suitable formulas to perform population analyses at correlated level in Mulliken and topological versions. Numerical determinations in some molecules confirm the usefulness of these proposals for describing chemical bondings.Read More
Publication Year: 2002
Publication Date: 2002-12-04
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 48
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