The Total π-Electron Energy Saga

Croatica Chemica Acta

Furtula, Boris¹  Gutman, Ivan¹ 

[1] Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac, Serbia

关键词: total π-electron energy;    graph energy;    molecular graph;    chemical graph theory;    spectral graph theory;   

DOI  :  10.5562/cca3189

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

The total π-electron energy, as calculated within the Hückel tight-binding molecular orbital approximation, is a quantum-theoretical characteristic of conjugated molecules that has been conceived as early as in the 1930s. In 1978, a minor modification of the definition of total π-electron energy was put forward, that made this quantity interesting and attractive to mathematical investigations. The concept of graph energy, introduced in 1978, became an extensively studied graph-theoretical topic, with many hundreds of published papers. A great variety of graph energies is being considered in the current mathematical-chemistry and mathematical literature. Recently, some unexpected applications of these graph energies were discovered, in biology, medicine, and image processing.

【 授权许可】

CC BY