A model for the elementary prediction of the angular geometries of van der Waals dimers
โ Scribed by Valeroi Magnasco; Camilla Costa; Giuseppe Figari
- Book ID
- 113257089
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 965 KB
- Volume
- 204
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
๐ 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
A modified two-dimensional van der Waals equation model was proposed for the prediction of multicomponent gas-solid adsorption isotherms from corresponding single-component adsorption equilibrium data. The model was used to predict adsorption isotherms of CO-CO2 mixtures and CO2-N2 mixtures on Cu(I)