Topological indices are numerical quantities associated with the molecular graph of a chemical structure. These used to predict various properties structures. Imbalance-based analysis is an advanced technique for compounds irregular characteristics. The graphs zigzag benzenoid systems <m...

Floral volatile benzenoid/phenylpropanoid (FVBP) biosynthesis is a complex and coordinate cellular process executed by petal limb cells of a Petunia×hybrida cv. 'Mitchell Diploid' (MD) plant. In MD flowers, the majority of benzenoid volatile compounds are derived from a core phenylpropanoid pathway intermediate by a coenzyme A (CoA) dependent, β-oxidative scheme. Metabolic flux analysis, revers...

Two empirical rules are formulated for the topological resonance energy (TRE) of benzenoid hydrocarbons: (a) TRE is roughly linear function of the number of Kekule structures, and (b) in a homologous series containing a linear polyacene fragment, TRE is a linear function of the length of this fragment. In certain cases, however, the TRE model leads to incorrect predictions. There exist pairs of...

Fluoranthenes are polycyclic conjugated molecules consisting of two benzenoid fragments, connected by two carbon–carbon bonds so as to form a five-membered ring. Fluoranthenes possessing Kekulé structures are classified into three types, depending on the nature of the two carbon–carbon bonds connecting the two benzenoid fragments. Either both these bonds are essentially single (i. e., single in...

1031 Vertex-degree-based molecular structure descriptors of benzenoid systems and phenylenes IVAN GUTMAN* and BORIS FURTULA** Faculty of Science, University of Kragujevac, P. O. Box 60, 34000 Kragujevac, Serbia (Received 12 December 2011) Abstract. Several recently published papers report expressions for various vertex-degree-based molecular structure descriptors of benzenoid systems and phenyl...

A large number of local aromaticity indices for the benzenoid rings in polyaromatic hydrocarbons is computed. The results are interpreted, supporting Clar's hypothesis, and mutual correlations are investigated. It is shown that there are good correlations between all indices that strictly allow comparing benzenoid character. Poor correlations are found with NICS. A rationale is offered, yieldin...

This paper is concerned with the general atom-bond sum-connectivity index ABSγ, which a generalization of recently proposed index, where γ any real number. For connected graph G more than two vertices, number ABSγ(G) defined as sum (1−2(dx+dy)−1)γ over all edges xy G, dx and dy represent degrees vertices x y respectively. −10≤γ≤10, significance ABSγ examined on data set twenty-five benzenoid hy...

The spectral moments of the edge adjacency matrix recently have been successfully employed in quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) studies of alkanes, alkyl halides, benzyl alcohols, and cycloalkanes.1-3 In this work we examined spectral moments of the edge adjacency matrix of benzenoid hydrocarbons. We designed combinatoria...