Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9770173 | Journal of Molecular Structure | 2005 | 6 Pages |
Abstract
This paper aims at elaborating rigorous criteria which make it possible to discriminate between true bound, quasibound, and free pair states for a system possessing a pronounced anisotropy of intermolecular interaction. The speculative statistical physics definition for various domains in the phase space of CO2-Ar pairs is verified using extensive 3D classical trajectory calculations with selected reliable potential energy surfaces. The results of numerical trajectory simulation is shown to confirm quite nicely the validity of our ad hoc statistical physics approach.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
S.E. Lokshtanov, S.V. Ivanov, A.A. Vigasin,