Isotope effects on the stability of the nitrogen—acetylene van der Waals dimer
✍ Scribed by Sean A.C. McDowell; A. David Buckingham
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 563 KB
- Volume
- 171
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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
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