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Geometries of van der Waals complexes of small polar molecules

โœ Scribed by Brobjer, J. Thomas; Murrell, John N.


Book ID
121493708
Publisher
The Royal Society of Chemistry
Year
1983
Weight
732 KB
Volume
79
Category
Article
ISSN
0300-9238

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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 electroslatic mteraction expanded up to R-" converges to angular structures which are close to