Iqbal Javaria, Salman Muhammad
Department of Mathematics, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
Curr Org Synth. 2023 Aug 4. doi: 10.2174/1570179420666230707105700.
In connection with the study of chemical graph theory, it has been explored that a single number can capture the numerical representation of a molecular structure, and this number is known as a topological property (index).
This study aimed to explore a few Zagreb topological properties for four hexa organic molecular structures (hexagonal, honeycomb, silicate, and oxide) based on the valency and valency sum of atoms in the structure.
We employed the technique of partitioning the set of bonds according to the valency and valency-sum of end atoms of each bond and then performed the computation by using combinatorial rules of counting (that is, the rule of sum and the rule of product). The obtained results were also compared numerically and graphically.
Exact values of five valencies based and five valency-sum-based Zagreb topological properties were found for the underline chemical structures.
在化学图论的研究中，人们探索出一个单一的数字能够捕捉分子结构的数值表示，这个数字被称为拓扑性质（指数）。
本研究旨在基于结构中原子的价态和价态总和，探索四种六元有机分子结构（六边形、蜂窝状、硅酸盐和氧化物）的一些 Zagreb 拓扑性质。
我们采用根据每个键的末端原子的价态和价态总和对键集进行划分的技术，然后使用组合计数规则（即求和规则和乘积规则）进行计算。还对所得结果进行了数值和图形比较。
对于下划线所示的化学结构，找到了基于五种价态和基于五种价态总和的 Zagreb 拓扑性质的精确值。
