2022Polycyclic aromatic compoundsOpen access

Topological Properties of Concealed Non-Kekulean Benzenoid Hydrocarbon

Jia‐Bao Liu, Hifza Iqbal, Khurram Shahzad

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Abstract

A topological descriptor is regarded as a numerical parameter derived by using mathematical tools from the molecular graph of different chemical structures. The chemical graph theory is a paramount section of mathematical chemistry. In this section, there are many topological parameters, that have very useful characteristics to study the molecular structure of chemicals. In this article, we investigate topological indices of concealed non-kekulean benzenoid hydrocarbon graph. We will compute general Randic index, general sum connectivity index, sum connectivity index, general version of harmonic index, harmonic index, first, second and third Zagreb indices, SK, SK1, SK2 indices, augmented Zagreb index, atomic bond connectivity index, geometric arithmetic index, first and second gourava indices, first and second hyper-gourava indices and 4th version of atomic bond connectivity, 5th version of geometric arithmetic index, and the Sanskurti index.

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A topological descriptor is regarded as a numerical parameter derived by using mathematical tools from the molecular graph of different chemical structures. The chemical graph theory is a paramount section of mathematical chemistry. In this section, there are many topological parameters, that have very useful characteristics to study the molecular structure of chemicals. In this article, we investigate topological indices of concealed non-kekulean benzenoid hydrocarbon graph. We will compute general Randic index, general sum connectivity index, sum connectivity index, general version of harmonic index, harmonic index, first, second and third Zagreb indices, SK, SK1, SK2 indices, augmented Zagreb index, atomic bond connectivity index, geometric arithmetic index, first and second gourava indices, first and second hyper-gourava indices and 4th version of atomic bond connectivity, 5th version of geometric arithmetic index, and the Sanskurti index.

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Available abstract

A topological descriptor is regarded as a numerical parameter derived by using mathematical tools from the molecular graph of different chemical structures. The chemical graph theory is a paramount section of mathematical chemistry. In this section, there are many topological parameters, that have very useful characteristics to study the molecular structure of chemicals. In this article, we investigate topological indices of concealed non-kekulean benzenoid hydrocarbon graph. We will compute general Randic index, general sum connectivity index, sum connectivity index, general version of harmonic index, harmonic index, first, second and third Zagreb indices, SK, SK1, SK2 indices, augmented Zagreb index, atomic bond connectivity index, geometric arithmetic index, first and second gourava indices, first and second hyper-gourava indices and 4th version of atomic bond connectivity, 5th version of geometric arithmetic index, and the Sanskurti index.

Key concepts: Chemistry, Hydrocarbon, Topology (electrical circuits), Computational chemistry, Organic chemistry, Combinatorics, Mathematics

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