D-6H-C-96 FULLERENE

Authors
STANKEVICH IV CHISTYAKOV AL
Citation
Iv. Stankevich et Al. Chistyakov, D-6H-C-96 FULLERENE, Russian chemical bulletin, 44(4), 1995, pp. 608-610
Citations number
9
Categorie Soggetti
Chemistry
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
44
Issue
4
Year of publication
1995
Pages
608 - 610
Database
ISI
SICI code
1066-5285(1995)44:4<608:DF>2.0.ZU;2-Z
Abstract
The possibility of the existence of a polyhedral C-96 cluster with D-6 h symmetry, composed of 12 pentagonal and 38 hexagonal faces, has been estimated. Minima on the potential energy surface of the singlet stat e of this cluster were found, optimized geometry was determined, and t he electronic structure was studied by the MNDO/PM3 and AM1 methods.