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

Gutman, I
Türker, Burhan Lemi
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.