دورية أكاديمية

On Molecular Descriptors of Polycyclic Aromatic Hydrocarbon.

التفاصيل البيبلوغرافية
العنوان: On Molecular Descriptors of Polycyclic Aromatic Hydrocarbon.
المؤلفون: Zuo, Xuewu, Jahanbani, Akbar, Cancan, Murat
المصدر: Polycyclic Aromatic Compounds; 2024, Vol. 44 Issue 5, p3233-3242, 10p
مصطلحات موضوعية: MOLECULAR connectivity index, CHEMICAL formulas, MOLECULAR structure, CHEMICAL properties, MOLECULAR graphs
مستخلص: A variety of graphical invariants have been described and tested, offering lots of applications in the fields of nanochemistry, computational networks, and different scientific research areas. One commonly studied group of invariants is the topological index, which allows research on the chemical, biological, and physical properties of a chemical structure. Topological indices are numerical quantities that can be used to describe the properties of the molecular graph. In this article, we draw from the analytically closed formulas of molecular structures of polycyclic aromatic hydrocarbons by calculating temperature-based topological indices. Our results in this paper may be useful to better understand many physical and chemical properties of polycyclic aromatic hydrocarbons. [ABSTRACT FROM AUTHOR]
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قاعدة البيانات: Complementary Index