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In this paper, we consider fault-tolerant resolving sets in graphs. We characterize n-vertex graphs with fault-tolerant metric dimension n, n − 1 , and 2, which are the lower and upper extremal cases. Furthermore, in the first part of the paper, a method is presented to locate fault-tolerant resolving sets by using classical resolving sets in graphs. The second part of the paper applies the proposed method to three infinite families of regular graphs and locates certain fault-tolerant resolving sets. By accumulating the obtained results with some known results in the literature, we present certain lower and upper bounds on the fault-tolerant metric dimension of these families of graphs. As a byproduct, it is shown that these families of graphs preserve a constant fault-tolerant resolvability structure.

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In this article, we present an efficient computer-based computational technique to compute the energy and Estrada index of graphs. It is shown that our computational method is more efficient and bears less computational and algorithmic complexity. We use our method to show the main result of this article, which asserts that the Estrada index correlates with the π-electronic energies of lower benzenoid hydrocarbons with correlation coefficient 0.9993. This enhances the practical applicability of the Estrada index and warrants its further usage in quantitative structure activity relationships. We further apply our computational technique in computing the energy and Estrada index of two infinite families of boron triangular nanotubes. We perform simulation based on certain computer software packages to study the graph-theoretic behavior of the obtained results. Our results help to correlate certain physicochemical properties of underlying chemical structures of these nanotubes. K E Y W O R D Sπ-electronic energy, benzenoid hydrocarbons, boron nanotubes, energy, Estrada index

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