二氧化钛纳米管的若干计数多项式

S. Prabhu, M. Arulperumjothi, G. Murugan, V. M. Dhinesh, J. P. Kumar
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引用次数: 7

摘要

1936年,Polya在化学中引入了计数多项式的概念。然而,几十年来,为了得到不饱和烃的分子轨道,尽管用数值方法广泛地考虑了图的特征多项式的谱,但这一问题却很少引起化学家的注意。计数多项式是一种拓扑材料的序列表示,因此指数精确地表示其分区的大小,而系数则与这些分区的出现有关。计数多项式在二部结构的拓扑描述以及图中等距和非等距边的计数中起着重要的作用。, Sadhana, PI多项式是计数多项式的广泛例子。数学化学是抽象化学的一个分支,我们用数学模型来讨论和预测化学结构。化学图论是数学化学的一个分支,其中化合物的结构可以通过标记图来体现,标记图的顶点是原子,边缘是原子之间的共价键。我们利用图论技术求出了TiO2纳米管的计数多项式。让!为TiO2的分子图。然后(!, !) = !!10!!+8!−2 + (2!)10 + 1) ! ! ! + 8 !−2 !+ 2 (!+ 1) 10 + 8 ! ! !−2本文研究了ω、Sadhana和PI计数多项式。这些多项式可用于确定omega, Sadhana和PI拓扑指数,在定量构效关系(QSAR)和定量构效关系(QSPR)的研究中发挥重要作用,用于预测化合物的生物活性和性质。这些计数多项式在双粒子结构的拓扑描述以及图中等距边和非等距边的计数中起着重要作用。计算距离计算多项式正在研究中。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
On Certain Counting Polynomial of Titanium Dioxide Nanotubes
In 1936, Polya introduced the concept of a counting polynomial in chemistry. However, the subject established little attention from chemists for some decades even though the spectra of the characteristic polynomial of graphs were considered extensively by numerical means in order to obtain the molecular orbitals of unsaturated hydrocarbons. Counting polynomial is a sequence representation of a topological stuff so that the exponents precise the magnitude of its partitions while the coefficients are correlated to the occurrence of these partitions. Counting polynomials play a vital role in topological description of bipartite structures as well as counts of equidistant and non-equidistant edges in graphs. Omega, Sadhana, PI polynomials are wide examples of counting polynomials. Mathematical chemistry is a division of abstract chemistry in which we debate and forecast the chemical structure by using mathematical models. Chemical graph theory is a subdivision of mathematical chemistry in which the structure of a chemical compound can be embodied by a labelled graph whose vertices are atoms and edges are covalent bonds between the atoms. We use graph theoretic technique in finding the counting polynomials of TiO2 nanotubes. Let ! be the molecular graph of TiO2. Then (!, !) = !!10!!+8!−2!−2 + (2! +1) !10!!+8!−2! + 2(! + 1)10!!+8!−2 In this paper, the omega, Sadhana and PI counting polynomials are studied. These polynomials are useful in determining the omega, Sadhana and PI topological indices which play an important role in studies of Quantitative structure-activity relationship (QSAR) and Quantitative structure-property relationship (QSPR) which are used to predict the biological activities and properties of chemical compounds. These counting polynomials play an important role in topological description of bipartite structures as well as counts equidistance and non-equidistance edges in graphs. Computing distancecounting polynomial is under investigation.
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