Abstract This work presents a simple method for partitioning the bond‐additive and atoms‐pair‐additive distance‐based topological indices of plane graphs into sum contributions inner faces. The proposed is applied to decompose several (Wiener, hyper‐Wiener, Tratch‐Stankevich‐Zefirov, Balaban, Szeged indices) ring series benzenoid systems. It was found that employed scheme providing an accurate ...

Various topological factors governing the electronic properties of infinitely large periodic polycyclic benzenoids are analyzed graph-theoretically by drawing the density of states (DS). The existence or non-existence of NBMO's in the hypothetical cyclic dimer of the network are shown to be crucial for the profile of DS. CATAHEXES AND PERIHEXES Owing to the rapid progress in organic synthesis t...

Large benzenoid polymers containing monomer units which are m~tually connected by two ce bonds are considered. These molecules are treated with in the simplified BORT or, equivalently, within a simplified VB approach. Ageneral method for the evaluation of resonance energies and local aromaticity properties, such as contribution of various sixand ten-cycles to the total resonance energy, is desc...

The dependence of the Dewar resonance energy (DRE) on the Kekulé structure count (K) was found to be significantly different from that earlier anticipated. Within classes of benzenoid isomers, the DRE increases either as K for 0.3 or as (ln K) for 2. Both functional dependencies result in approximate expressions for DRE of nearly equal accuracy. Approximations of the form DRE a K + b and DRE a'...

If G is a connected graph with vertex set V (G), then the degree distance of G is defined as DD(G) = ∑ {u,v}∈V (G)(deg u + deg v)d(u, v), where deg u is the degree of vertex u, and d(u, v) denotes the distance between u and v. In the chemical literature, DD(G) is better known under ‡Corresponding author. If possible, send your correspondence via e-mail. the name Schultz index. In the class of p...

The Szeged index (Sz) is a recently proposed1q2 structural descriptor, based on the distances of the vertices of the molecular graph. In order to be able to study the properties of this novel topological index it would be advantageous to possess an easy method for its calculation. The calculation of Sz directly from its definition (see below) is quite cumbersome, especially in the case of large...

the Neuro8pora or bacterial mutants. In addition, it seems improbable on structural grounds that these benzenoid compounds would be intermediates in the synthesis of such hydroaromatic compounds as prephenic acid. It is not known at present whether vanillic acid is formed by methylation of the 3-hydroxyl group of dehydroshikimic acid followed by dehydration, or by direct methylation of protocat...