Abstract
Chemical graph theory (CGT) is a field of mathematical chemistry focused on the study of molecules by applying classic graph theory. CGT studies molecules as graphs in which atoms are assumed to be vertices and bonds are taken as edges of graphs. In CGT, topological descriptors predict the physical and chemical properties of any molecular structure. In this paper, we computed some novel topological descriptors viz. Modified version of the Second Zagreb index, Hyper index, Randić index, Modified version of the Forgotten topological index and redefined third Zagreb index for cerium oxide nanostructures (\({\text{CeO}}_{2}[\alpha ,\beta ,\gamma ]\)) with \(\alpha \times\upbeta\) unit cell and \(\gamma\) layers. Based on the derived formulas, we compared the numerical results and physio-chemical properties of the under study\({\text{CeO}}_{2}[\alpha ,\beta ,\gamma ]\).
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The author Asad Ullah gratefully acknowledges the financial support for this study derived from the Higher Education Commission of Pakistan (Grant No. 20–11682/NRPU/R&D/HEC/2020).
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Zaman, S., Jalani, M., Ullah, A. et al. On the topological descriptors and structural analysis of cerium oxide nanostructures. Chem. Pap. 77, 2917–2922 (2023). https://doi.org/10.1007/s11696-023-02675-w
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DOI: https://doi.org/10.1007/s11696-023-02675-w