On Molecular Topological Properties of Chemical Graphs and Networks

Abstract

Topological index is a mathematical coding of molecular graphs in terms of numerical values that are directly associated with the molecular graphs. These indices are used for modeling physicochemical, pharmacological, toxicological, biological and other properties of chemical compounds. In this dissertation we have focused on some symmetric molec ular graphs and networks i.e. Silicon-carbide Si2C3-I & II[p, q], Siloxane and POPAM dendrimers and polymeric network modeled as Sierpinski network. Moreover, we have applied graph operations on arbitrary graphs to generate new graph structure. We have computed formulas of eccentricity and degree based molecular descriptors and establish their relationship with physical properties of some chemical structures. The computed indices in this dissertation are, Zagreb type indices, Eccentric-connectivity indices, Gen eral sum-connectivity indices, Randi´c indices, Geometric arithmetic indices, Atom bond connectivity indices, Forgotten, Balaban, Sanskruti index and some reverse degree based indices.