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 (SCI-Expanded, Scopus, TRDizin) identifier identifier

  • Publication Type: Article / Article
  • Volume: 20 Issue: 2
  • Publication Date: 1996
  • Journal Name: TURKISH JOURNAL OF CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, TR DİZİN (ULAKBİM)
  • Page Numbers: pp.99-103
  • Middle East Technical University Affiliated: No

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.