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
  • [1] Estrada index of benzenoid hydrocarbons
    Gutman, Ivan
    Radenkovic, Slavko
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2007, 62 (5-6): : 254 - 258
  • [2] Resolvent Energy and Estrada Index of Benzenoid Hydrocarbons
    Redzepovic, Izudin
    Furtula, Boris
    JOURNAL OF THE SERBIAN SOCIETY FOR COMPUTATIONAL MECHANICS, 2020, 13 : 37 - 44
  • [3] Szeged indices of benzenoid hydrocarbons
    Gutman, I
    Domotor, G
    Lam, PCB
    Shiu, WC
    Popovic, L
    POLYCYCLIC AROMATIC COMPOUNDS, 1996, 8 (04) : 259 - 270
  • [4] Correlation between the Estrada index and π-electronic energies for benzenoid hydrocarbons with applications to boron nanotubes
    Hayat, Sakander
    Imran, Muhammad
    Liu, Jia-Bao
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 119 (23)
  • [5] Partition of topological indices of benzenoid hydrocarbons into ring contributions
    Redzepovic, Izudin
    Dordevic, Sladana
    Brezovnik, Simon
    Tratnik, Niko
    Pletersek, Petra Zigert
    Furtula, Boris
    Radenkovic, Slavko
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2023, 123 (12)
  • [6] Generalised Multiplicative Indices of Polycyclic Aromatic Hydrocarbons and Benzenoid Systems
    Kulli, V. R.
    Stone, Branden
    Wang, Shaohui
    Wei, Bing
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2017, 72 (06): : 573 - 576
  • [7] On the Estrada and Laplacian Estrada Indices of Fullerenes
    Ghorbani, Modjtaba
    Bani-Asadi, Elaheh
    JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2015, 12 (06) : 1064 - 1068
  • [8] On the Estrada and Laplacian Estrada indices of graphs
    Du, Zhibin
    Liu, Zhongzhu
    LINEAR ALGEBRA AND ITS APPLICATIONS, 2011, 435 (08) : 2065 - 2076
  • [9] Wiener indices of benzenoid hydrocarbons containing two linear polyacene fragments
    Gutman, I
    Jovasevic, V
    JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, 1998, 63 (01) : 31 - 40
  • [10] Wiener and Szeged indices of benzenoid hydrocarbons containing a linear polyacene fragment
    Gutman, I
    Khadikar, PV
    Khaddar, T
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 1997, (35) : 105 - 116