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<p>The molecular graph is an excellent platform for inspecting several structural and chemical properties of compounds by considering atoms as vertices and chemical bonds as edges. In this regard, the triniobium tridecabromide crystalline compound comes into prominence because of its various important uses. With the view to attaining more information on structural aspects of triniobium tridecabromide, some new indices that were first of all defined relating vertex degree to enhance further characteristic representation of its molecular graph have been defined in this paper. To express this dynamical nature and observe tendencies, more entropy computation is done by logarithmic fitting. Also, other topological indices related to entropy are analyzed for relations with Pearson’s correlation study. The results will be presented through a complete heat map representation of Pearson’s correlation study. This, along with numerical and graphical comparison by computational tools like Maple, MATLAB, and Python, provides insight into both molecular and dynamic properties of given molecules. This integrated approach, in turn, provides an understanding of the interplay of topological indices and entropy for efficient characterization and applications of triniobium tridecabromide under various conditions.</p>

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A comprehensive topological and statistical investigation of entropy in triniobium compounds

  • 期刊论文

  • 发表日期：

    2025年7月25日

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  • Abdullah Ali H. Ahmadini,
  • Shokrya Saleh A. Alshqaq,
  • Muhammad Farhan Hanif,
  • Mazhar Hussain,
  • Muhammad Kamran Siddiqui

摘要

The molecular graph is an excellent platform for inspecting several structural and chemical properties of compounds by considering atoms as vertices and chemical bonds as edges. In this regard, the triniobium tridecabromide crystalline compound comes into prominence because of its various important uses. With the view to attaining more information on structural aspects of triniobium tridecabromide, some new indices that were first of all defined relating vertex degree to enhance further characteristic representation of its molecular graph have been defined in this paper. To express this dynamical nature and observe tendencies, more entropy computation is done by logarithmic fitting. Also, other topological indices related to entropy are analyzed for relations with Pearson’s correlation study. The results will be presented through a complete heat map representation of Pearson’s correlation study. This, along with numerical and graphical comparison by computational tools like Maple, MATLAB, and Python, provides insight into both molecular and dynamic properties of given molecules. This integrated approach, in turn, provides an understanding of the interplay of topological indices and entropy for efficient characterization and applications of triniobium tridecabromide under various conditions.