On the angular shape of van der Waals dimers of small polar molecules |
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Authors: | Valerio Magnasco Camilla Costa Giuseppe Figari |
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Affiliation: | Istituto di Chimica Industriale dell'Università, 16132 Genoa, Italy |
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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. |
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