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-Expanded) identifier identifier

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.