Structural and electronic properties of 'benzorods'


Erkoc F.

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

Özet

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.