An AM1 study on C-60@C-180 system


Turker L., Gumus S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.674, pp.15-18, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 674
  • Publication Date: 2004
  • Doi Number: 10.1016/j.theochem.2003.12.023
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.15-18

Abstract

AM1 type (RHF) semi-empirical calculations are performed on endohedrally C-60 doped C-180 structure to examine the electronic and structural properties. The molecule is found to be stable but endothermic in nature. (C) 2004 Elsevier B.V. All rights reserved.