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Topological Study on Triazine-Based Covalent-Organic Frameworks

Tony Augustine, Santiago Roy

2022Symmetry29 citationsDOIOpen Access PDF

Abstract

Most of the research has evidenced that there is a strong natural correlation among the chemical properties of molecular structures. This study analyses supramolecular chemistry and investigates topological indices of supramolecular structures called triazine-based covalent-organic frameworks. The use of degree-based topological indices on these chemical molecular structures can aid material scientists in better understanding their chemical and biological properties, thus compensating for the lack of chemical tests. This study aims to theoretically examine the triazine-based covalent-organic frameworks (TriCF) utilizing degree-based topological indices, specifically multiplicative topological indices and entropy measures. A detailed comparison of the computed topological indices of the aforementioned chemical structures is described using graphical depiction.

Topics & Concepts

Supramolecular chemistryTopology (electrical circuits)Covalent bondTriazineTopological indexMultiplicative functionEntropy (arrow of time)ChemistryComputer scienceMathematicsComputational chemistryMoleculePhysicsOrganic chemistryThermodynamicsCombinatoricsMathematical analysisGraph theory and applicationsComputational Drug Discovery MethodsMetal-Organic Frameworks: Synthesis and Applications