Polycyclic Aromatic Compounds ( IF 2.4 ) Pub Date : 2020-12-29 , DOI: 10.1080/10406638.2020.1866621 Ozge Colakoglu Havare 1 , Ali Kemal Havare 2
Abstract
Molecular topological indices are numerical descriptor of molecular structure obtained via molecular graph G. The forgotten topological index F(G) is a vertex degree based topological index and it can be expressed with where d(u) denotes the degree of u. The forgotten co-index Co-F(G) is defined as the sum of squares of a graph’s vertex degrees which is not adjacent. In this study, the F(G) and Co-F(G) index of HAC5C7, HAC5C6C7, linear [n]-phenylenes and cyclic phenylenes nanostructures are computed for possible works in the properties of molecules such as structure–property relationship. In addition, polynomials of the forgotten index and co-index are found for these nanostructures.
中文翻译:
碳基纳米材料被遗忘的拓扑指数和共指数的计算
摘要
分子拓扑指数是通过分子图 G 得到的分子结构的数值描述符。被遗忘的拓扑指数F ( G ) 是基于顶点度的拓扑指数,可以表示为其中d ( u ) 表示 u 的度数。被遗忘的共索引 Co- F ( G ) 定义为不相邻的图的顶点度数的平方和。在这项研究中,计算了 HAC 5 C 7、HAC 5 C 6 C 7 、线性 [n]-亚苯基和环状亚苯基纳米结构的F ( G ) 和 Co- F ( G ) 指数,以了解分子性质的可能工作比如结构与属性的关系。此外,为这些纳米结构找到了遗忘指数和共指数的多项式。