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On the angular shape of van der Waals dimers of small polar molecules

Authors :
Camilla Costa
Giuseppe Figari
Valerio Magnasco
Source :
Chemical Physics Letters. 162:416
Publication Year :
1989
Publisher :
Elsevier BV, 1989.

Abstract

Ab initio calculations on twenty van der Waals dimers of small polar molecules at the experimentally observed intermolecular separation R, using Hartree-Fock molecular moments, show that the minima in the electrostatic interaction expanded up to R−6 converges to angular structures which are close to those observed experimentally for such complexes.

Details

ISSN :
00092614
Volume :
162
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi.dedup.....0fcf67e99f9e22b186dc64cd1191718d