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Chemical bonding: From Lewis to atoms in molecules
Author(s) -
Bader R. F. W.,
HernándezTrujillo J.,
CortésGuzmán F.
Publication year - 2006
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.20528
Subject(s) - virial theorem , electron density , atoms in molecules , chemical bond , molecule , electron pair , electron , quantum , chemical physics , computational chemistry , chemistry , topology (electrical circuits) , physics , quantum mechanics , mathematics , combinatorics , galaxy
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. © 2006 Wiley Periodicals, Inc. J Comput Chem, 2007