Electron Energy Studying of Molecular Structures via Forgotten Topological Index Computation

Abstract EN

It is found from the earlier studies that the structure-dependency of total π-electron energy Eπ heavily relies on the sum of squares of the vertex degrees of the molecular graph.

Hence, it provides a measure of the branching of the carbon-atom skeleton.

In recent years, the sum of squares of the vertex degrees of the molecular graph has been defined as forgotten topological index which reflects the structure-dependency of total π-electron energy Eπ and measures the physical-chemical properties of molecular structures.

In this paper, in order to research the structure-dependency of total π-electron energy Eπ, we present the forgotten topological index of some important molecular structures from mathematical standpoint.

The formulations we obtained here use the approach of edge set dividing, and the conclusions can be applied in physics, chemical, material, and pharmaceutical engineering.