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
相关论文
共 50 条
  • [31] Generalized Randic Estrada Indices of Graphs
    Lenes, Eber
    Mallea-Zepeda, Exequiel
    Medina, Luis
    Rodriguez, Jonnathan
    MATHEMATICS, 2022, 10 (16)
  • [32] Unicyclic Graph with Maximal Estrada Indices
    Wang, Wen-Huan
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 2012, 68 (03) : 939 - 955
  • [33] ENUMERATION AND CLASSIFICATION OF BENZENOID HYDROCARBONS .5. SOME BENZENOID HYDROCARBONS WITH EXTREMAL PROPERTIES
    BRUNVOLL, J
    CYVIN, BN
    CYVIN, SJ
    GUTMAN, I
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1988, 43 (10): : 889 - 894
  • [34] RESONANCE ENERGIES OF BENZENOID HYDROCARBONS
    AIHARA, JI
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (07) : 2048 - 2053
  • [35] More on Laplacian estrada indices of trees
    Du, Zhibin
    FILOMAT, 2012, 26 (01) : 197 - 207
  • [36] Graphs with Smallest Resolvent Estrada Indices
    Gutman, Ivan
    Furtula, Boris
    Chen, Xiaodan
    Qian, Jianguo
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 2015, 73 (01) : 267 - 270
  • [37] THE EVALUATION OF MOMENTS FOR BENZENOID HYDROCARBONS
    JIANG, YS
    QIAN, XL
    SHAO, YH
    THEORETICA CHIMICA ACTA, 1995, 90 (2-3): : 135 - 144
  • [38] ENUMERATION OF BENZENOID AND CORONOID HYDROCARBONS
    BALABAN, AT
    BRUNVOLL, J
    CIOSLOWSKI, J
    CYVIN, BN
    CYVIN, SJ
    GUTMAN, I
    HE, WC
    HE, WJ
    KNOP, JV
    KOVACEVIC, M
    MULLER, WR
    SZYMANSKI, K
    TOSIC, R
    TRINAJSTIC, N
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1987, 42 (08): : 863 - 870
  • [39] Resonance in catacondensed benzenoid hydrocarbons
    Randic, M
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 63 (02) : 585 - 600
  • [40] Resonance in Large Benzenoid Hydrocarbons
    Randic, M.
    Klein, D. J.
    El-Basil, S.
    Calkins, P.
    Croatia Chimica Acta, 69 (04):