M. C. Shanmukha1, Sokjoon Lee2,*, A. Usha3, K. C. Shilpa4, Muhammad Azeem5
CMES-Computer Modeling in Engineering & Sciences, Vol.137, No.1, pp. 939-964, 2023, DOI:10.32604/cmes.2023.027254
Abstract Graph theory plays a significant role in the applications of chemistry, pharmacy, communication, maps, and
aeronautical fields. The molecules of chemical compounds are modelled as a graph to study the properties of the
compounds. The geometric structure of the compound relates to a few physical properties such as boiling point,
enthalpy, π-electron energy, molecular weight. The article aims to determine the practical application of graph
theory by solving one of the interdisciplinary problems describing the structures of benzenoid hydrocarbons and
graphenylene. The topological index is an invariant of a molecular graph associated with the chemical structure,
which shows the correlation… More >
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