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

Türker, Lemi; Gumus, Selçuk

doi:10.1016/j.theochem.2003.12.023

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, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 674
Basım Tarihi: 2004
Doi Numarası: 10.1016/j.theochem.2003.12.023
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.15-18
Van Yüzüncü Yıl Üniversitesi Adresli: Hayır

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.