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, cilt.42, sa.11, ss.2698-2701, 2003 (SCI-Expanded) identifier identifier

Özet

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.