Angle of graph energy - A spectral measure of resemblance of isomeric molecules


Gutman I., Turker L.

INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, vol.42, no.11, pp.2698-2701, 2003 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 42 Issue: 11
  • Publication Date: 2003
  • Journal Name: INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.2698-2701

Abstract

A method, elaborated earlier by one of the present authors, for measuring the structural resemblance of isomeric alternant conjugated hydrocarbons, based on a graph-spectral quantity theta, called the angle of total pi-electron energy approach has been extended now to arbitrary molecules. Some general properties of theta have been established.