ISSN:
1432-2234
Keywords:
Point charge models
;
Polarizability
;
Dispersion forces
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The model of a molecule previously introduced by the authors, in which most of the electronic charge is represented by point charges on the nuclei, in the lone pairs and bonds, and the remainder is in a diffuse function which represents the outer electrons, is here extended. Molecules with several heavy atoms require several diffuse functions, one for each heavy atom, in addition to one at the centre of nuclear charge. In an electric field the centre of each diffuse function moves against a harmonic restoring force and this gives rise to the polarizability of the molecule. When two molecules interact the movement of this function produces the dispersion force. The model thus embodies all the long range forces between molecules in a more accurate and simpler way than was possible earlier.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00534234
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