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


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.545, pp.151-155, 2001 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 545
  • Publication Date: 2001
  • Doi Number: 10.1016/s0166-1280(01)00409-2
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.151-155

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-Fock level. The results reveal that C58Si58 structure should be highly endothermic but a stable molecule. The structure is expected to have some nonlinear properties. (C) 2001 Elsevier Science B.V. All rights reserved.