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Physical Analysis of Heat for Formation and Entropy of Ceria Oxide UsingTopological Indices

Xiujun Zhang, Muhammad Kamran Siddiqui, Sana Javed, Lubna Sherin, Farah Kausar, Mehwish Hussain Muhammad

2020Combinatorial Chemistry & High Throughput Screening103 citationsDOI

Abstract

BACKGROUND: NPs. AIM AND OBJECTIVE: . Also, our main objective is to compute the Heat of Formation and Entropy using degree based topological indices. MATERIALS AND METHODS: Chemical graph theory plays an important role in modeling and designing any chemical structure. The topological indices are the numerical invariants of a molecular graph and are very useful for predicting their physical properties. For calculation, we have utilized the combinatorial processing strategy, edge partition technique, vertex partition strategy, analytic procedures, graph hypothetical tools, degree counting technique and entirety of degrees of neighbor technique. Moreover, Matlab programming has been utilized for numerical computations and checks. We likewise utilized the maple for plotting these numerical outcomes. RESULTS: [p, q, t] We also provide a detailed application of the computed results. CONCLUSION: [p, q, t] nanocrystal of varying size and hence its prospective application in nanoceria engineering.

Topics & Concepts

Topological indexCupriteEntropy (arrow of time)ComputationComputer scienceMATLABGraphOxideTopology (electrical circuits)MathematicsMaterials scienceTheoretical computer scienceThermodynamicsAlgorithmComputational chemistryChemistryPhysicsMetallurgyOperating systemCopperCombinatoricsGraph theory and applicationsComputational Drug Discovery MethodsFree Radicals and Antioxidants