A theoretical study on the strong codimer of C-60 and Si-60, C58Si58

Authors
Turker, L
Citation
L. Turker, A theoretical study on the strong codimer of C-60 and Si-60, C58Si58, J MOL ST-TH, 545, 2001, pp. 151-155
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
545
Year of publication
2001
Pages
151 - 155
Database
ISI
SICI code
0166-1280(20010709)545:<151:ATSOTS>2.0.ZU;2-0
Abstract
The strong codimer Of C-60 and Si-60 that is C58Si58 is considered for AM1 type semiempirical molecular orbital treatment at the, restricted Hartree-F ock level. The results reveal that C58Si58 structure should be highly endot hermic but a stable molecule. The structure is expected to have some nonlin ear properties. (C) 2001 Elsevier Science B.V. All rights reserved.