Structural and electronic properties of 'benzorods'

Erkoc F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.639, pp.157-166, 2003 (SCI-Expanded) identifier identifier


The structural and electronic properties of benzorods, carbon nanorods made of benzen molecules, have been investigated systematically by performing semi-empirical self-consistent-field molecular-orbital theory calculations at AM1-RUF level. The benzorod represented by nC6 contains n benzonoid rings placed parallel to each other forms a stable structure. (C) 2003 Elsevier B.V. All rights reserved.