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On the angular shape of van der Waals dimers of small polar molecules
Authors:Valerio Magnasco   Camilla Costa  Giuseppe Figari
Affiliation:

Istituto di Chimica Industriale dell'Università, 16132 Genoa, Italy

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.
Keywords:
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