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Zagreb Topological Properties of Hexa Organic Molecular Structures
Current Organic Synthesis ( IF 1.8 ) Pub Date : 2023-08-04 , DOI: 10.2174/1570179420666230707105700
Javaria Iqbal 1 , Muhammad Salman 1
Affiliation  

Background: 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). Objective: 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. Methods: 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. Results and Conclusion: Exact values of five valencies based and five valency-sum-based Zagreb topological properties were found for the underline chemical structures.

中文翻译:

六有机分子结构的萨格勒布拓扑性质

背景:结合化学图论的研究,人们发现单个数字可以捕获分子结构的数字表示,这个数字被称为拓扑性质(索引)。目的:本研究旨在基于结构中原子的化合价和化合价总和,探索四种六有机分子结构(六方、蜂窝、硅酸盐和氧化物)的一些萨格勒布拓扑性质。方法:采用根据各键末端原子的化合价及化合价和对键集进行划分的技术,然后利用组合计数规则(即和规则和乘规则)进行计算。 )。还对获得的结果进行了数字和图形比较。结果和结论:对于下划线化学结构,找到了基于五价和基于五价和的萨格勒布拓扑性质的精确值。
更新日期:2023-08-04
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