一些图类的hosoya指数和merifield-simmons指数-ho soya index and meri field - simmons index of some graphs.docxVIP

摘 要一个图中用顶点代表化学分子的原子，用边代表原子之间所形成的化学键， 这种图叫做分子图．分子图可以表达分子的拓扑性质．而我们所说的分子拓扑指 数指的是从分子图集到实数集的一个映射．例如 Wiener 指数，Hosoya 指数， Merrifield-Simmons 指数，Vizing 指数等等．许多分子拓扑指数与分子本身的某 些物理和化学性质之间有着密切的联系，一个图的 Hosoya 指数(记作 z(G) )和 Merrifield-Simmons 指数（记作σ (G) ）是分子拓扑学中比较重要的两个指数，被 分别定义为图的匹配数(或独立的边集数)和独立的点集数，它们和分子的沸点、 熔点等性质有关系．本文主要刻画了三大图类的极值图:(1) k 圈图中具有最大 Merrifield-Simmons 指数和最小 Hosoya 指数的极值 图． 并求出了 k 圈图中最大的 Merrifield-Simmons 指数．(2)共轭图具有极小 Hosoya 指数的极值图．包括共轭树的前三小和共轭含圈图的前两小 Hosoya 指数 的极图． (3)给定直径的单圈图中具有最小 Hosoya 指数的极值图．本文的组织结构为：第一章先介绍 Hosoya 指数和 Merrifield-Simmons 指数 的发展过程和研究背景，并给出图论中常用的概念和专业术语．第二章到第四章 分别刻画了上述三大图类的极值图．第五章总结全文主要的研究成果并在此基础 上对这两种指数讨论了可以进一步研究的问题和方向．关键词： k 圈图； 共轭图； 给定直径的单圈图； Hosoya 指数； Merrifield-Simmons 指数；AbstractIf the vertices of a graph denote the atoms of a chemical molecule and the edges denote the bonds between atoms of the molecule, then this graph is called a molecular graph. Molecular graphs can express the topological charactristics of molecules. The molecular topological index which we said is a mapping from the set of molecular graphs to the set of real numbers. For example the Wiener-index, Hosoya-index, Merrifield-Simmons-index , Vizing-index and so on. Molecular topological indices have close relationship with the physical and chemical characteristics of the molecule.The Hosoya-index (denoted byz(G) ) and the Merrifield-Simmons-index (denoted byσ (G) ) are two important indices of molecular topology which are definded as the total number of matchings and the total number of independent sets. There are some relationship between these indices and the boiling point and melting point ofmolecules.This paper characterizes the extreme graphs of three kinds of graphs.We characterize the extreme graphs having k-cycles which have maximum Merrifield -Simmons-index and minimum Hosoya-index, and give the maximum Merrifield-Simmons-index. (2) Then we give the extreme graphs of conjugate graphs having minimum Hosoya-index, containing the first, second, third