Comparisons of the Sombor Index of Alkane, Alkyl, and Annulene Series with Their Molecular Mass

Abstract

Suppose G is an undirected simple graph. A topological index for G is a number with this property that it is invariant under all graph isomorphisms with applications in chemistry. The Sombor and reduced Sombor indices of G are defined as S O G = ∑ u v ∈ E G d G 2 u + d G 2 v and S O red G = ∑ u v ∈ E G d G u − 1 2 + d G v − 1 2 , respectively. Here, d G u denotes the degree of the vertex u in G . In this paper, these invariants were computed for alkanes, alkyls, and annulenes. A comparison of our calculations with molecular mass is also presented. As a consequence, it is shown that there is a good correlation between Sombor index and molecular mass of these compounds.

Sombor Index of Sun and Broken Sun Graphs and Its Application

“…As in the reference [11] is been stated the atomic mass of an atom is defined as the mass of this atom. So, the atomic mass of carbon is 12.0107u and for hydrogen Fig.…”

“…In the references [4] , [6] , [11] and [13] you can consider the Sombor index and other topological indices of trees and some cactus chain graphs and desierd conditions such that thay have the maximum or minimum Sombor index. Also in the articles [2], [7], [10], [12] and [14] you can see some of inequalities for the Sombor index which are a good prediction for moleculare physicochemical properties and the first Zagreb index M 1 (G) introduced as…”

Computation of Structural Descriptors of Pyrene Cored Dendrimers through Quotient Graph Approach and Its Graph Entropy Measures

“…The chemical applicability of these works is widely recognised by researchers and scientists. This motivated many reseachers in studying the concept of topological indices of chemical structures, see [51][52][53][54][55][56][57][58][59][60][61] for applications of chemical graph theory in various fileds. The structure of pyrene cored dendrimers G2 and PyG2 are given in Figure 1.…”