期刊
JOURNAL OF COMPUTATIONAL CHEMISTRY
卷 28, 期 1, 页码 4-14出版社
WILEY
DOI: 10.1002/jcc.20528
关键词
bonding; electron density; forces; virial theorem; Feynman theorem
The Lewis electron pair concept and its role in bonding are recovered in the properties of the electron pair density and in the topology of the Laplacian of the electron density. These properties provide a bridge with the quantum mechanical description of bonding determined by the Feynman, Ehrenfest, and virial theorems, bonding being a consequence of the electrostatic forces acting within a molecular system. (C) 2006 Wiley Periodicals, Inc.
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