摘要
图的拓扑指标对刻画化学分子图以及建立分子结构与特征之间的关系有着重要作用,被广泛应用于预测化合物的物理化学性质和生物活性,是一个与化合物的物理化学性质密切相关的拓扑指数,因而其被广泛应用于物理化学领域中。假设L_(n)^(6,4,4)表示具有n个六边形和2n个正方形构成的线性结构的分子图,通过将L_(n)^(6,4,4)重合相反的侧边得到莫比乌斯型六角链,记为HM_(n)^(6,4,4),通过将L_(n)^(6,4,4)重合相同的侧边得到圆柱型六角链,记为HC_(n)^(6,4,4)。Gutman指数是一种重要的化学指标,反映了分子结构的很多特性,本文确定了HC_(n)^(6,4,4)和HM_(n)^(6,4,4)的Gutman指数。
The topological index of the graph plays an important role in the molecular characterization and the establishment of the relationship between molecular structure and characteristics.Topological index of graph,widely used to predict the physicohemical property and bicoactivity of compounds,is a topological index closely related to physicohemical property of compounds,so it is universally applied in the field of chemistry.Let L_(n)^(6,4,4) denote a molecular graph of linear structure with n hexagons and 2n squares,let the Möbius hexagonal chain be the graph obtained from the L_(n)^(6,4,4) by identifying the opposite lateral edges in reversed way,remember to HM_(n)^(6,4,4),whereas the cylinder hexagonal chain is the graph obtained from the L_(n)^(6,4,4) by identifying the opposite lateral edges in ordered way,remember to HC_(n)^(6,4,4).The Gutman index is an important chemical indicator that reflects many properties of molecular structure.This paper determines the Gutman index of HC_(n)^(6,4,4) and HM_(n)^(6,4,4).
作者
雷雩
耿显亚
LEI Yu;GENG Xian-ya(School of Mathematics and Big Data,Anhui University of Science and Technology,Huainan 232001,China)
出处
《长春师范大学学报》
2021年第4期8-12,共5页
Journal of Changchun Normal University
基金
安徽省自然科学基金项目“超大规模集成电路物理设计中的相关图论问题研究”(2008085MA01)。
