Structural and electronic properties of 'benzorods'


Erkoc F.

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

  • Publication Type: Article / Article
  • Volume: 639
  • Publication Date: 2003
  • Doi Number: 10.1016/j.theochem.2003.08.012
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.157-166

Abstract

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.