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Novel neighbourhood redefined first and second Zagreb indices on carborundum structures

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Abstract

Graph theory offers experts with a useful tool called the topological index which analyses the characteristics of chemical compounds. Motivated by the recent work of redefined Zagreb indices (\(ReZG_{1}\), \(ReZG_{2}\), \( ReZG_{3}\)), novel topological indices such as Neighbourhood redefined first and second Zagreb indices (\(NReZ_{1}\), \(NReZ_{2}\)) are proposed and computed for a molecular graph G of two carborundum structures. The correlation coefficient of \(NReZ_{1}\), \(NReZ_{2}\) with ten properties of octane isomers are determined, of which entropy and acentric factor showed a good correlation. Also, the lower and upper bounds of redefined Zagreb indices are determined using classic results, Pólya–Szegö and Cauchy–Schwarz inequalities for simple graphs and trees.

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Shanmukha, M.C., Basavarajappa, N.S., Usha, A. et al. Novel neighbourhood redefined first and second Zagreb indices on carborundum structures. J. Appl. Math. Comput. 66, 263–276 (2021). https://doi.org/10.1007/s12190-020-01435-3

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