A theoretical study on certain C-58 species

Turker L.

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


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.