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


Türker L., Gumus S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.674, ss.15-18, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 674
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1016/j.theochem.2003.12.023
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayısı: ss.15-18

Özet

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.