๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Calculation of the intermolecular dispersion potential for NH3-He couples

โœ Scribed by J. Bonamy; D. Robert

Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
448 KB
Volume
6
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

โœฆ Synopsis

An ezpression for the dispersion potential. describing the interaction between NH3 and He mafecuhs is derived and an explicit calculztion of the molecular constants is performed. A comparison between ffie different contributions appearing in the intermolecular potential shows that the term in R-7 of ffie dispersion potential should be preponderant. * The index i of t?q. (If Jas beep omitted in the subsequent oalcniationa~ since xv& consider only one orbit+ for-fle;

The sammation wiI& be made over j wbioh takes the foui.'&bels I, bl, bz, b3.,

๐Ÿ“œ SIMILAR VOLUMES

An analytic function for the three-body
An analytic function for the three-body potential of He3
โœ Michael J. Cohen; John N. Murrell ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 388 KB

An accurate representation of the three-body potential for the ground state of neutral He3 has been obtained by fitting to high quality ab initio data. The calculations show that the 3rd order, triple-dipole dispersion energy is of minimal importance in comparison with the three-body exchange term e

Calculation of the isotropic nuclear spi
Calculation of the isotropic nuclear spin spin coupling constants for H2O, NH3 and CH4
โœ M. Maestro; R. Moccia; M. Zandomeneghi ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 425 KB

Isokopic nuclear spti spin coupling constants have been e-&dated for ti possible couplings in HIO, NH3 and CH4 by two different double perturbation techniques. All calculations were performed employing bases of decors constructed with SCF canonical and, for H20, localized orbitals, produced by exten