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Bounds of degree-based molecular descriptors for generalized \(F\)-sum graphs - MaRDI portal

Bounds of degree-based molecular descriptors for generalized \(F\)-sum graphs (Q2663032)

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Bounds of degree-based molecular descriptors for generalized \(F\)-sum graphs
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    Bounds of degree-based molecular descriptors for generalized \(F\)-sum graphs (English)
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    15 April 2021
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    Summary: A molecular descriptor is a mathematical measure that associates a molecular graph with some real numbers and predicts the various biological, chemical, and structural properties of the underlying molecular graph. \textit{H. Wiener} [``Structural determination of paraffin boiling points'', J. Am. Chem. Soc. 69, No. 1, 17--20 (1947; \url{doi:10.1021/ja01193a005})] and \textit{I. Gutman} and \textit{N. Trinajsti} [``Graph theory and molecular orbitals. III. Total \(\varphi\)-electron energy of alternant hydrocarbons'', Chem. Phys. Lett. 17, No. 4, 535--538 (1972; \url{doi:10.1016/0009-2614(72)85099-1})] used molecular descriptors to find the boiling point of paraffin and total \(\pi \)-electron energy of the molecules, respectively. For molecular graphs, the general sum-connectivity and general Randić are well-studied fundamental topological indices (TIs) which are considered as degree-based molecular descriptors. In this paper, we obtain the bounds of the aforesaid TIs for the generalized \(F\)-sum graphs. The foresaid TIs are also obtained for some particular classes of the generalized \(F\)-sum graphs as the consequences of the obtained results. At the end, \(3D\)-graphical presentations are also included to illustrate the results for better understanding.
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