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

Turker, L; Gumus, S

doi:10.1016/j.theochem.2003.12.023

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

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Turker L., Gumus S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.674, pp.15-18, 2004 (SCI-Expanded)

Publication Type: Article / Article
Volume: 674
Publication Date: 2004
Doi Number: 10.1016/j.theochem.2003.12.023
Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.15-18
Middle East Technical University Affiliated: No

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.