On Van, R and S entropies of graphenylene

Aldemir M. Ş., Ediz S., Taş Z.

Graphs and Linear Algebra, vol.2, no.2024, pp.11-33, 2024 (Peer-Reviewed Journal)


Applications in the disciplines of chemistry, pharmaceuticals, communication, physics, and aeronautics all heavily rely on graph theory. To examine the properties of chemical compounds, the molecules are modelled as a graph. A few physical characteristics of the substance, including its boiling point, enthalpy, pi-electron energy, and molecular weight, are related to its geometric shape. Through the resolution of one of the interdisciplinary problems characterizing the structures of benzenoid hydrocarbons and graphenylene, the essay seeks to ascertain the practical applicability of graph theory. The topological index, which displays the correlation of chemical structures using numerous physical, chemical, and biological processes, is an invariant of a molecular graph connected with the chemical structure. Shannon's concept of entropy served as the basis for the graph entropies with topological indices, which are now used to measure the structural information of chemical graphs. Using various graph entropy metrics, the theory of graphs can be used to establish the link between particular chemical structural features. This study uses the appropriate R, S, Van topological indices to introduce some unique degree-based entropy descriptors. Additionally, the graphenylene structure's entropy measurements indicated above were computed.