Resveratrol and its analogues resveratrol-dihydroxyl isomers: semi-empirical SCF-MO calculations


Erkoc S. , Keskin N., Erkoc F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.631, pp.67-73, 2003 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 631
  • Publication Date: 2003
  • Doi Number: 10.1016/s0166-1280(03)00203-3
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.67-73

Abstract

The structural and electronic properties of resveratrol and its three analogues resveratrol-dihydroxyl isomers have been investigated theoretically by performing semi-empirical self-consistent field molecular orbital theory calculations. The geometry of the systems have been optimized and the electronic properties have been calculated at the level of AMI method. (C) 2003 Elsevier B.V. All rights reserved.