Mathematical and chemical properties of geometry-based invariants and its applications

Abstract

Recently, based on elementary geometry, Gutman proposed several geometry-based invariants (i.e., SO, SO1, SO2, SO3, SO4, SO5, SO6). The Sombor index was defined as SO(G)=∑uv∈E(G)du2+dv2, the first Sombor index was defined as SO1(G)=12∑uv∈E(G)|du2−dv2|, where du denotes the degree of vertex u.In this paper, we consider the mathematical properties of these geometry-based invariants. We determine the maximum trees (resp. unicyclic graphs) with given diameter, the maximum trees with given matching number, the maximum trees with given pendent vertices, the maximum trees (resp. minimum trees) with given branching number, the minimum trees with given maximum degree and second maximum degree, the minimum unicyclic graphs with given maximum degree and girth, the minimum connected graphs with given maximum degree and pendent vertices, and some properties of maximum connected graphs with given pendent vertices with respect to the first Sombor index SO1. As an application, we inaugurate these geometry-based invariants and verify their chemical applicability.