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Quantitative Structural Edge-version Topological Descriptors for Boric Acid Graphite Structure
  • Sahaya Vijay J,
  • Roy Santiago
Sahaya Vijay J
Vellore Institute of Technology

Corresponding Author:[email protected]

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Roy Santiago
Vellore Institute of Technology
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Abstract

A quantitative structural analysis was carried out to predict the physical properties of boric acid structure. A topological descriptor of chemical molecule structure is a numerical value that distinguishes between a base structure and its branching pattern in the knowledge of chemical, physical, and biological aspects of molecular structure. In modern chemistry, theoretical chemistry, pharmacology, toxicology, and environmental chemistry, a large number of numerical graph invariants (topological indices) have been established and used for correlation analysis. In this paper, edge-version of distance based topological descriptors like edge Wiener, edge Szeged, edge PI and vertex-edge Wiener are computed for the structure of boric acid graphite sheet and Theta, Omega, Sd and PI polynomials and their subsequent topological indices for boric acid graphite structure are quantified. Further, using Theta and Omega polynomials, we devise a new approach for calculating the PI and Sd indices.