Results on the Estrada Indices of Benzenoid Hydrocarbons

被引:2
|
作者
Jahanbani, Akbar [1 ]
Karimi, Amir Taghi [2 ]
Rodriguez, Jonnathan [3 ]
机构
[1] Azarbaijan Shahid Madani Univ, Dept Math, Tabriz, Iran
[2] Payame Noor Univ, Dept Math, Tehran, Iran
[3] Univ Antofagasta, Fac Ciencias Basicas, Dept Matemat, Antofagasta, Chile
关键词
Benzenoid hydrocarbons; Estrada index; hexagons; line graph; molecular graph; spectral moments; EDGE-ADJACENCY MATRIX; MOLECULAR GRAPHS; SPECTRAL MOMENTS; TOPOLOGICAL INDEX; ENERGY; HETEROATOMS;
D O I
10.1080/10406638.2020.1823860
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
The spectral moments of the edge adjacency matrix and adjacency matrix recently have been successfully employed in quantitative structureproperty relationship and quantitative structure-activity relationship studies of alkanes, alkyl halides, benzyl alcohols,cycloalkanes and benzenoid hydrocarbons. Let G be a molecular graph with n vertices, m edges and G(L) be a line graph. Both graphs G and G(L) can be represented by their adjacency matrixes A and E, respectively. The eigenvalues of G and G(L) are denoted by, lambda(1) >= lambda(2) >= .... >= lambda(n) and gamma(1)>=gamma(2) >= ... >= gamma(n), respectively. The Estrada index A and G(L) are defined as EE(G) = Sigma(n)(i=1) e(lambda) and EE(G(L)) = Sigma(i=1)e(gamma). In this paper, we examined both Estrada indices with spectral moments of the edge adjacency matrix and adjacency matrix of benzenoid hydrocarbons. These theoretical conclusions provide practical guiding significance for pharmaceutical engineering, complex network and quantify the degree of folding of long organic molecules.
引用
收藏
页码:2013 / 2030
页数:18
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