TEST OF A SIMPLE-MODEL OF THE INTERMOLECULAR POTENTIAL FOR THE CONDENSED PHASES OF C-70

Authors
PICKHOLZ M GAMBA Z
Citation
M. Pickholz et Z. Gamba, TEST OF A SIMPLE-MODEL OF THE INTERMOLECULAR POTENTIAL FOR THE CONDENSED PHASES OF C-70, The Journal of chemical physics, 100(6), 1994, pp. 4531-4536
Citations number
25
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
100
Issue
6
Year of publication
1994
Pages
4531 - 4536
Database
ISI
SICI code
0021-9606(1994)100:6<4531:TOASOT>2.0.ZU;2-L
Abstract
We test a simple atom-atom model of the intermolecular potential for t he condensed phases of C-70. The model, previously developed for the c rystalline phases of C-60, consists of 12 Lennard-Jones interactions s ites. Here we transfer it to C-70 crystals without further refinement of its potential parameters, and good agreement with experimental data on the low temperature crystal structure is obtained.