Quantum chemical investigation of thalidomide molecule


Erkoc S. , Erkoc F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.719, pp.1-5, 2005 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 719
  • Publication Date: 2005
  • Doi Number: 10.1016/j.theochem.2004.11.039
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.1-5

Abstract

The structural and electronic properties of the thalidomide molecule have been investigated theoretically by performing semi-empirical molecular orbital (AM1) and density functional theory calculations. The geometry of the molecule has been optimized by AM1 method and the electronic properties of the molecule have been calculated by density functional theory in its ground state. (c) 2005 Elsevier B.V. All rights reserved.