Results on the Estrada Indices of Benzenoid Hydrocarbons

The spectral moments of the edge adjacency matrix and adjacency matrix recently have been successfully employed in quantitative structure-property relationship and quantitative structure-activity relationship studies of alkanes, alkyl halides, benzyl alcohols,cycloalkanes and benzenoid hydrocarbons....

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Bibliographic Details
Published inPolycyclic aromatic compounds Vol. 42; no. 5; pp. 2013 - 2030
Main Authors Jahanbani, Akbar, Taghi Karimi, Amir, Rodriguez, Jonnathan
Format Journal Article
LanguageEnglish
Published Philadelphia Taylor & Francis 28.05.2022
Taylor & Francis Ltd
Subjects
Alkanes
Apexes
Benzenoid hydrocarbons
Benzyl alcohol
Eigenvalues
Estrada index
Graph theory
Graphical representations
Halides
hexagons
Hydrocarbons
line graph
molecular graph
Organic chemistry
spectral moments
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Summary:The spectral moments of the edge adjacency matrix and adjacency matrix recently have been successfully employed in quantitative structure-property 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, and respectively. The Estrada index A and G(L) are defined as and 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.
ISSN:1040-6638
1563-5333
DOI:10.1080/10406638.2020.1823860