On topological indices and entropies of diamond structure
Faiza Ishfaq, Muhammad Faisal Nadeem, Zeinhom M. El‐Bahy
Abstract
Abstract A topological index is a numerical parameter that represents the molecular structure of a compound based on its graph‐theoretical properties. It provides a means to describe the structure‐activity relationship, as well as the physicochemical properties of the compound. Topological indices are used in various scientific fields, including chemistry, biology, and computer science, to study and predict the behavior of molecules. In this study, we concentrate on the calculation of M‐polynomials and entropy for the allotropic form of carbon, diamond. Algebraic operations are applied to these polynomials to obtain degree‐dependent topological invariants.
Topics & Concepts
Topological indexDiamondAlgebraic structureAlgebraic numberTopology (electrical circuits)MoleculeEntropy (arrow of time)GraphMathematicsDiamond cubicComputational chemistryStatistical physicsMaterials scienceChemistryPhysicsPure mathematicsThermodynamicsCombinatoricsOrganic chemistryMathematical analysisGraph theory and applicationsComputational Drug Discovery MethodsFree Radicals and Antioxidants