o:28947 Resolvent energy and Estrada index of benzenoid hydrocarbons en Abstract: The relationship between the resolvent and Estrada indices for the alkanes has been recently demonstrated. That relationship involved the first Zagreb index besides these two eigenvalue-based molecular descriptors. In this paper, the quality of the correlation is tested in the case of isomeric benzenoid hydrocarbons, where the first Zagreb index is constant. Extraordinary linear correlations are identified for all studied groups of isomeric benzenoid hydrocarbons. Additionally, the relationship of these indices with the boiling points of a set of benzenoid hydrocarbons is presented. Keywords: molecular descriptors, eigenvalues, adjacency matrix, computational modeling, molecular structure 1552099 10.24874/jsscm.2020.01.04 1552101 1820-6530 2023-04-26T09:35:21.383Z 44 no 46 Izudin Redžepović Državni univerzitet u Novom Pazaru 0000-0003-4956-0407 Boris Furtula person application/pdf 507877 https://phaidrabg.bg.ac.rs/o:28947 no yes 1 70 92000001 20A01 Journal of the Serbian Society for Computational Mechanics Special issue 37 44 2020