浓缩苯系中匹配数的计算

IF 2.9 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Match-Communications in Mathematical and in Computer Chemistry Pub Date : 2022-08-01 DOI:10.46793/match.89-1.223o

M. Oz

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引用次数: 1

摘要

的Hosoya指数定义为中独立边集的总数(-匹配数)。细谷指数是数学化学领域中最重要的拓扑指数之一，因为它与几种热力学性质有关。因此，计算各种分子结构的-匹配数具有重要意义。目前已经提出了两种方法，一种用于计算缩合苯系的细谷指数数，另一种用于计算苯链(未支化的缩合苯系)中的-匹配数。本文提出了一种基于转移矩阵的计算任意(无支和支)缩合苯系的-匹配数的方法。此外，还设计了一些算法，以保持该方法在增加时的适用性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Computing the Number of Matchings in Catacondensed Benzenoid Systems

The Hosoya index of is defined as the total number of independent edge sets (number of -matchings ) in . The Hosoya index is one of the most important topological indices in the field of mathematical chemistry because of its relationship with several thermodynamic properties. Therefore, computation of the number of -matchings of various molecular structures has importance. Two methods, one for computing the number of the Hosoya index of catacondensed benzenoid systems and the other for the number of -matchings in benzenoid chains (unbranched catacondensed benzenoid systems), have been presented so far. In this paper, a method based on some transfer matrices to compute the number of -matchings of arbitrary (both unbranched and branched) catacondensed benzenoid systems is presented. Moreover, some algorithms are designed to keep the applicability of the method the same as increases.

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来源期刊

Match-Communications in Mathematical and in Computer Chemistry 化学-化学综合

CiteScore

4.40

自引率

26.90%

发文量

审稿时长

2 months

期刊介绍： MATCH Communications in Mathematical and in Computer Chemistry publishes papers of original research as well as reviews on chemically important mathematical results and non-routine applications of mathematical techniques to chemical problems. A paper acceptable for publication must contain non-trivial mathematics or communicate non-routine computer-based procedures AND have a clear connection to chemistry. Papers are published without any processing or publication charge.