Vertex-degree-based molecular structure descriptors of benzenoid systems and phenylenes

On discriminativity of vertex-degree-based indices

A recently published paper [T. Došlić, this journal 3 (2012) 25-34] considers the Zagreb indices of benzenoid systems, and points out their low discriminativity. We show that analogous results hold for a variety of vertex-degree-based molecular structure descriptors that are being studied in contemporary mathematical chemistry. We also show that these results are straightforwardly obtained by u...

Use of Structure Codes (Counts) for Computing Topological Indices of Carbon Nanotubes: Sadhana (Sd) Index of Phenylenes and its Hexagonal Squeezes

Structural codes vis-a-vis structural counts, like polynomials of a molecular graph, are important in computing graph-theoretical descriptors which are commonly known as topological indices. These indices are most important for characterizing carbon nanotubes (CNTs). In this paper we have computed Sadhana index (Sd) for phenylenes and their hexagonal squeezes using structural codes (counts). Sa...

The Atom-Bond Connectivity Index of Benzenoid Systems And Phenylenes

The atom-bond connectivity (ABC) index is a recently introduced topological index, defined as ABC(G) = ∑ uv∈E(G) √ du+dv−2 dudv , where du (or dv) is the degree the vertex u (or v). The ABC index of benzenoid systems and phenylenes are computed, a simple relation is established between the atom-bond connectivity index of a phenylene and the corresponding hexagonal squeeze in this paper. Mathema...

The Geometric-Arithmetic Index of Benzenoid Systems and Phenylenes

The geometric-arithmetic index of graph G is defined as GA(G) = ∑ uv∈E(G) 2 √ dudv du+dv , du (or dv) is the degree the vertex u (or v). The GA index of benzenoid systems and phenylenes are computed, a simple relation is established between the geometric-arithmetic of a phenylene and the corresponding hexagonal squeeze in this paper. Mathematics Subject Classification: 05C05, 05C12

On General Sum-Connectivity Index of Benzenoid Systems and Phenylenes