Physical Analysis of Heat for Formation and Entropy of Ceria Oxide Using Topological Indices

Author:

Zhang Xiujun1,Siddiqui Muhammad Kamran2ORCID,Javed Sana2,Sherin Lubna3,Kausar Farah3,Muhammad Mehwish Hussain4

Affiliation:

1. Key Laboratory of Pattern Recognition and Intelligent Information Processing, Institutions of Higher Education of Sichuan Province, Chengdu University,Chengdu 610106,,China

2. Department of Mathematics, COMSATS University Islamabad, Lahore Campus, 54000,,Pakistan

3. Department of Chemsitry, COMSATS University Islamabad, Lahore Campus, 54000,,Pakistan

4. College of chemistry, School of Chemical Engineering and Energy,Zhengzhou University, Zhengzhou 450001,,Pakistan

Abstract

Background:: “Cerium oxide nanoparticles ( Aim and Objective:: The study“was aimed to analyze the chemical graph of crystal structure of Ceria Oxide(cuprite) 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 neighbors technique. Moreover, Matlab programming have been utilized for the numerical computations and checks. We likewise utilized the maple for plotting these numerical outcomes.” Results:: We have“computed Heat of Formation and Entropy using degree based topological indices. More oreciously, our main results are based on some degree based topological indices, namely, the atom bond connectivity index Conclusion:: We discuss“these indices exhibited difference with the reported heat of formation and entropy of cuprite

Funder

Applied Basic Research (Key Project) of Sichuan Province

Soft Science Project of Sichuan Province

Higher Education Commission Pakistan

Publisher

Bentham Science Publishers Ltd.

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,General Medicine

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