Title of article
degree-based molecular descriptors of certain chemical graphs and drugs of covid 19
Author/Authors
surya, s. sarah stella maris college - department of mathematics, chennai, india , quadras, jasintha maris stella college, vijayawada, india , subbulakshmi, p. stella maris college - department of mathematics, chennai, india
From page
113
To page
123
Abstract
spectral graph theory is the interface that connects the graphs and the matrices associated with them. chemistry is the branch of science which has benefitted the most out of this interaction as the information-theoretic matrices of the molecular graphs offer immensely useful molecular descriptors. graph energy and topological indices are chemistry-initiated directions of research in mathematics. in this paper, we compute the characteristic polynomial of circum-coronene(n) series of benzenoid graphs, 1 ≤ n ≤ 3 and few degree-based topological indices of circumpolyacenes(m, n), circum-pyrene(n) and circum-trizene(n). also, the graph invariants namely energy, spectral radius, wiener index, first zagreb index, modified first zagreb index, second zagreb index and modified second zagreb index have been computed for few proposed drugs against covid-19, their extensions and coronoid networks. we have also verified our results using matlab programs.
Keywords
energy , spectral radius , degree , based topological indices , coronoid networks , circum , polyacenes(m , n) , circum , pyrene(n) , circum , trizene(n) , drugs of covid , 19
Journal title
Eurasian Chemical Communications
Journal title
Eurasian Chemical Communications
Record number
2704887
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