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Browsing by Author "Mahmood, Hasan"

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    Article
    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.
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    On Entropy Measures for Crystallographic Structure of Silicon-Carbon Networks
    (Taylor & Francis Ltd, 2024) Liqiong, Pan; Hanif, Muhammad Farhan; Mahmood, Hasan; Siddiqui, Muhammad Kamran; Manzoor, Shazia; Cancan, Murat
    Several graph features have been used to distinguish the construction of entropy-based measurements from the structure of chemical graphs and complicated networks. The graph entropy metric has piqued the interest of scientists due to its possible applicability in a variety of domains. In this paper, we look at the chemical graph of silicon-carbon SiC3-I and the crystallographic structure of silicon-carbon SiC3-II. This two-dimensional structure has the potential to revolutionize optoelectronic and electrical technologies as a direct wide band gap semiconducting material. More intriguingly, the semiconducting SiC3 sheet has a significant visible-light adsorption ability. SiC3 nanosheets have a wide range of electrical characteristics, making them ideal for nano-electronics and photo-voltaic. This advantageous molecular structure, silicon carbon, is examined. More preciously in this paper, we have computed the entropy measures for SiC3-I and SiC3-II based on the topologies indices. Some comparison work is offered in addition to the analytical analysis of the entropy measure of silicon-carbon. Bases on these numerical tables and corresponding graphs we conclude that as entropy measures are the better predicator than the topological indices of physio-chemical properties.