More on Sombor indices of chemical graphs and their applications to the boiling point of benzenoid hydrocarbons
Hechao Liu, Hanlin Chen, Qiqi Xiao, Xiaona Fang, Zikai Tang
Abstract
Abstract Let G be a connected graph with vertex set V ( G ) and edge set E ( G ). The Sombor index of G is defined as and the reduced Sombor index of G is defined as where d u denotes the degree of vertex u in G . In this paper, we determine maximum and minimum (reduced) Sombor index of chemical trees with given pendent vertices, and characterize their extremal graphs. In addition, some numerical results are discussed. We calculate the (reduced) Sombor index of a set of benzenoid hydrocarbons. The regression models show that boiling points and (reduced) Sombor index of benzenoid hydrocarbons are highly correlated.
Topics & Concepts
Boiling pointTopological indexVertex (graph theory)CombinatoricsMolecular graphMathematicsKovats retention indexGraphIndex (typography)Set (abstract data type)ChemistryOrganic chemistryComputer scienceChromatographyGas chromatographyWorld Wide WebProgramming languageGraph theory and applicationsComputational Drug Discovery MethodsFree Radicals and Antioxidants