Analytical Expressions and Structural Characterization of Some Molecular Models Through Degree Based Topological Indices
Mimoon Ismael, Shahid Zaman, Kashif Elahi, Ali N. A. Koam, Ansa Bashir Β· Mathematical Modelling and Engineering Problems Β· 2024
This article explores a practical applications of chemical graph theory in the field of physical chemistry.Chemical graph theory is a branch of mathematics that uses mathematical techniques to correlate the structural characteristics of molecules.By applying these methods, scientists can better understand how different molecules behave and interact in the world of chemistry.Topological indices, which are two/threedimensional descriptors of the internal atomic organization of compounds, provide valuable information about the size, shape, branching, presence of heteroatoms, and number of bonds in a given molecular structure.This article highlights the importance of topological indices in understanding the physical properties and behavior of molecules, and how they can be used in various applications such as drug design, material science, and catalysis.In this article, we computed irregularity topological indices for the Oxide network (ππ π ), Silicate network (ππΏ π ), Chain silicate (πΆπ π ), and honeycomb network (π»πΆ π ).The 3D comparison graphs are also investigated.The article concludes with a discussion of the challenges and future directions in the field of chemical graph theory.