Resolvent Energy and Estrada Index of Benzenoid Hydrocarbons

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.

More on Sombor indices of chemical graphs and their applications to the boiling point of benzenoid hydrocarbons

“…The Sombor index of G is defined as [2] whereas the reduced Sombor index is [2] Recent results of Sombor index can be found in References [2–19].…”

The expected values of Sombor indices in random hexagonal chains, phenylene chains and Sombor indices of some chemical graphs

“…Recently, Gutman introduces a family of Sombor indices in the chemical graph theory [2]. It was examined in [3] that the Sombor index, reduced Sombor index and average Sombor index showed satisfactory predictive and discriminative potential in modeling entropy and enthalpy of vaporization of alkanes. The results of testing predictive potential of Sombor indices indicate that these descriptors may be successfully applied on modeling thermodynamic properties of compounds.…”

“…Das, Cevik, Cangul and Shang presented lower and upper bounds on the Sombor index of graphs by using some graph parameters and obtain several relations on Sombor index with the first and second Zagreb indices of graphs [7]. More results of Sombor indices can be found in [2, 3, 8–17, 37]. In Section 2, we study the expected values of the Sombor indices in the random hexagonal chains and random phenylene chains, and make a comparison between the expected values.…”

Effect of a Ring onto Values of Eigenvalue–Based Molecular Descriptors

“…The λ i is the ith eigenvalue obtained from the adjacency matrix. This index gained considerable popularity, resulting in numerous papers [15,[17][18][19]. Such success of Estrada index may be attributed to the fact that this index found applications beyond chemistry.…”

“…was introduced recently [22]. Despite its juvenility, this index has attracted the attention of scientists thanks to its specific features and a noticeable predictive potential [13,17,[23][24][25][26][27][28][29]. For example, it has been shown that discriminating power of resolvent energy outperforms such feature of graph energy and Estrada index [30].…”