Relation between Wiener–type topological indices of benzenoid molecules
نویسندگان
چکیده
The distance d(u, v|G) between the vertices u and v of a molecular graph G is the length of a shortest u, v-path. We consider a class of Wiener–type topological indices Wλ(G) , defined as the sum of the terms d(u, v|G) λ over all pairs of vertices of G . Several special cases of Wλ(G) , namely for λ = +1 (the original Wiener number) as well as for λ = −2,−1,+1/2,+2 and +3 , were previously studied in the chemical literature, and found applications as molecular structure–descriptors. We establish a relation between Wλ+1 and Wλ , applicable for benzenoid molecules, phenylenes, chemical trees, and other types of molecular graphs.
منابع مشابه
Hosoya polynomials of random benzenoid chains
Let $G$ be a molecular graph with vertex set $V(G)$, $d_G(u, v)$ the topological distance between vertices $u$ and $v$ in $G$. The Hosoya polynomial $H(G, x)$ of $G$ is a polynomial $sumlimits_{{u, v}subseteq V(G)}x^{d_G(u, v)}$ in variable $x$. In this paper, we obtain an explicit analytical expression for the expected value of the Hosoya polynomial of a random benzenoid chain with $n$ hexagon...
متن کاملRelation Between Wiener, Szeged and Detour Indices
In theoretical chemistry, molecular structure descriptors are used to compute properties of chemical compounds. Among them Wiener, Szeged and detour indices play significant roles in anticipating chemical phenomena. In the present paper, we study these topological indices with respect to their difference number.
متن کاملKragujevac J
Among the variety of molecular-graph-based structure-descriptors, aimed at measuring the extent of branching of the skeleton of organic molecules, there are the Wiener index W and the spectral radius λ1 i. e., the greatest eigenvalue of the molecular graph. Although, these indices are used for decades, they have never been compared. Our computational studies show that within series of the isome...
متن کاملAutomatic graph construction of periodic open tubulene ((5,6,7)3) and computation of its Wiener, PI, and Szeged indices
The mathematical properties of nano molecules are an interesting branch of nanoscience for researches nowadays. The periodic open single wall tubulene is one of the nano molecules which is built up from two caps and a distancing nanotube/neck. We discuss how to automatically construct the graph of this molecule and plot the graph by spring layout algorithm in graphviz and netwrokx packages. The...
متن کاملA SIMPLE ALGORITHM FOR COMPUTING TOPOLOGICAL INDICES OF DENDRIMERS
Dendritic macromolecules’ have attracted much attention as organic examples of well-defined nanostructures. These molecules are ideal model systems for studying how physical properties depend on molecular size and architecture. In this paper using a simple result, some GAP programs are prepared to compute Wiener and hyper Wiener indices of dendrimers.
متن کامل