The concept of molecular similarity and the angle of total Pi-electron energy


Turker L.

TURKISH JOURNAL OF CHEMISTRY, vol.20, no.2, pp.99-103, 1996 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 20 Issue: 2
  • Publication Date: 1996
  • Title of Journal : TURKISH JOURNAL OF CHEMISTRY
  • Page Numbers: pp.99-103

Abstract

The concept of molecular similarity is developed and a novel similarity index based on the cosine of the angle of total II-electron energy is proposed to interrelate structural variations to operant properties of molecules isoconjugate with alternant hydrocarbons.