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Independence polynomials of molecular graphs.

机译:分子图的独立多项式。

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摘要

In the 1980's, it was noticed by molecular chemists that the stability and boiling point of certain molecules were related to the number of independent vertex sets in the molecular graphs of those chemicals. This led to the definition of the Merrifield-Simmons index of a graph G as the number of independent vertex sets in G. This parameter was extended by graph theorists, who counted independent sets of different sizes and defined the independence polynomial FG(x) of a graph G to be k Fk(G)x k where for each k, Fk( G) is the number of independent sets of k vertices.;This thesis is an investigation of independence polynomials of several classes of graphs, some directly related to molecules of hydrocarbons. In particular, for the graphs of alkanes, alkenes, and cycloalkanes, we have determined the Merrifield-Simmons index, the independence polynomial, and, in some cases, the generating function for the independence polynomial. These parameters are also determined in several classes of graphs which are natural generalizations of the hydrocarbons. The proof techniques used in studying the hydrocarbons have led to some possibly interesting results concerning the coefficients of independence polynomials of regular graphs with large girth.
机译:在1980年代,分子化学家注意到某些分子的稳定性和沸点与这些化学物的分子图中独立顶点集的数量有关。这导致将图G的Merrifield-Simmons索引定义为G中独立顶点集的数量。图理论家扩展了该参数,他们计算了不同大小的独立集并定义了独立多项式FG(x)将图G设为k Fk(G)xk,其中对于每个k,Fk(G)是k个顶点的独立集合的数量。;本论文是几类图的独立多项式的研究,其中一些与分子直接相关碳氢化合物。特别是,对于烷烃,烯烃和环烷烃的图,我们确定了Merrifield-Simmons指数,独立多项式,在某些情况下,还确​​定了独立多项式的生成函数。这些参数也可以在几类图表中确定,这些图表是烃类的自然概括。在研究碳氢化合物中使用的证明技术已经得出一些可能有趣的结果,这些结果涉及大周长的正则图的独立多项式的系数。

著录项

  • 作者

    Byrum, Cameron Taylor.;

  • 作者单位

    The University of Mississippi.;

  • 授予单位 The University of Mississippi.;
  • 学科 Applied Mathematics.;Chemistry Molecular.
  • 学位 M.S.
  • 年度 2011
  • 页码 75 p.
  • 总页数 75
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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