A theoretical study on certain C-58 species

Turker, L

doi:10.1016/s0166-1280(01)00573-5

A theoretical study on certain C-58 species

Copy For Citation

Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.571, pp.99-102, 2001 (SCI-Expanded)

Publication Type: Article / Article
Volume: 571
Publication Date: 2001
Doi Number: 10.1016/s0166-1280(01)00573-5
Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.99-102
Middle East Technical University Affiliated: No

Abstract

Various electronic states of C-58 structure which is theoretically obtained from C-60 molecule by removing a C-2 unit and deleting a C-C bond shared by two adjacent hexagons have been considered for AM1 (UHF) type semiempirical molecular orbital calculations. (C) 2001 Elsevier Science B.V. All rights reserved.