THEORETICAL ENERGY MINIMIZATION AND OPTIMIZATION OF STRUCTURES OF C-60 FULLERENE COMPOUNDS

Authors
FABIANSKI R KUCHTA B
Citation
R. Fabianski et B. Kuchta, THEORETICAL ENERGY MINIMIZATION AND OPTIMIZATION OF STRUCTURES OF C-60 FULLERENE COMPOUNDS, Advanced materials for optics and electronics, 6(5-6), 1996, pp. 297-300
Citations number
9
Categorie Soggetti
Material Science",Optics,"Engineering, Eletrical & Electronic",Chemistry
Journal title
Advanced materials for optics and electronics → ACNP
ISSN journal
10579257
Volume
6
Issue
5-6
Year of publication
1996
Pages
297 - 300
Database
ISI
SICI code
1057-9257(1996)6:5-6<297:TEMAOO>2.0.ZU;2-K
Abstract
The results of theoretical calculations of equilibrium structures of C -60. 4C(6)H(6) and C-60. 2[(C6H5)(3)P]AuCl crystals at temperature T = 0 K have been presented. It has been shown that the '6-exp'-type inte raction model is not able to reproduce experimental structural paramet ers. The real forces seem to be more attractive.