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Electrostatic interactions and the shape of van der Waals dimers

✍ Scribed by Valerio Magnasco; Camilla Costa; Giuseppe Figari

Book ID
119117088
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
746 KB
Volume
169
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES

The validity of electrostatic prediction
The validity of electrostatic predictions of the shapes of van der Waals dimers
✍ Alistair P.L. Rendell; George B. Bacskay; Noel S. Hush πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 735 KB

The imeracwn energes or the van der Waals dlmcrs H20-HLO, Cl,-HF. CIF-HF and N20-HF have been calculaled for a range of geometries using ab mlrio SCF Echniques. The SCF bindmg energies have been decomposed into electrostatic. exchange. polarkation and charge-lransrer contributions and Lhe intermolec

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✍ Valerio Magnasco; Camilla Costa; Giuseppe Figari πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 760 KB

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