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On the angular shape of van der Waals dimers of small polar molecules
- Source :
- Chemical Physics Letters. 162:416
- Publication Year :
- 1989
- Publisher :
- Elsevier BV, 1989.
-
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.
- Subjects :
- Chemistry
Chemical polarity
Van der Waals molecule
Intermolecular force
Van der Waals strain
Van der Waals surface
General Physics and Astronomy
Molecular physics
symbols.namesake
Computational chemistry
Ab initio quantum chemistry methods
Physics::Atomic and Molecular Clusters
symbols
Van der Waals radius
Physics::Atomic Physics
Physics::Chemical Physics
Physical and Theoretical Chemistry
van der Waals force
Atomic physics
Subjects
Details
- ISSN :
- 00092614
- Volume :
- 162
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi.dedup.....0fcf67e99f9e22b186dc64cd1191718d