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

✍ Scribed by Valerio Magnasco; Camilla Costa; Giuseppe Figari

Publisher: Elsevier Science
Year: 1989
Tongue: English
Weight: 760 KB
Volume: 160
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(89)80049-1

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✦ Synopsis

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 those observed experimentally for such complexes.

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