Browsing by Author "Wang, Xiaojiao"

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On Computation of Entropy Measures and Their Statistical Analysis for Complex Benzene Systems
(Taylor & Francis Ltd, 2023) Wang, Xiaojiao; Hanif, Muhammad Farhan; Mahmood, Hasan; Manzoor, Shazia; Siddiqui, Muhammad Kamran; Cancan, Murat
Benzene is aromatic organic compound having six membered ring. Molecular studies provide evidence of presence of three alternative double bond providing exceptional stability to the molecule. Being basic unit of organic chemicals, benzene is widely used in pharmaceuticals, rubber, pesticides, dyes, lubricants, explosives and additives. Benzene derivatives are used in production of dyes, deodorants, pesticides, organic solvents, dispersants, plasticizers, and drugs. Keeping in view the extensive applications of benzene derivatives, we made use of QSPR analysis for predicting the multiple chemical and physical properties of organic compounds. By using SPSS software, correlation between newly introduced entropies and the Physico-chemical properties of benzene derivatives is examined. Our acquired consequences demonstrated that two physical properties of chemical structures, ie Boiling Point and enthalpy can be best predicted from the fifth ND entropy, and the other two properties namely Pie-electron Energy and molecular weight predicted from the neighborhood version of redefined first Zagreb entropy and neighborhood version of redefined second Zagreb entropy, respectively.
On the Expected Values of Topological Indices in Random Phenylene Chains
(Taylor & Francis Ltd, 2024) Wang, Xiaojiao; Zuo, Xuewu; Jahanbani, Akbar; Cancan, Murat
The phenylenes exhibit unique physicochemical properties due to their aromatic and antiaromatic rings. The main object of this paper is to determine the expected values of the arithmetic-geometric and augmented Zagreb indices for random phenylene chains. The comparisons between the expected values of these indices with respect to the random phenylene chains have been determined explicitly. The graphical illustrations have been given in terms of the differences between the expected values of these indices.