Computing the Szeged and PI Indices of VC5C7[p,q] and HC5C7[p,q] Nanotubes

In this paper we give a GAP program for computing the Szeged and the PI indices of any graph. Also we compute the Szeged and PI indices of VC5C7 [ p,q] and HC5C7 [ p,q] nanotubes by this program

Computing the F-index of nanostar dendrimers

AbstractDendrimers are highly branched nanostructures and are considered a building block in nanotechnology with a variety of suitable applications. In this paper, a vertex degree-based topological index, namely, the F-index, which is defined as the sum of cubes of a graph's vertex degrees, is studied for certain dendrimers. In this study, we present exact expressions for the F-index and F-polynomial of six infinite classes of nanostar dendrimers

Cacti with Extremal PI Index

The vertex PI index $PI(G) = \sum_{xy \in E(G)} [n_{xy}(x) + n_{xy}(y)]$ is a distance-based molecular structure descriptor, where $n_{xy}(x)$ denotes the number of vertices which are closer to the vertex $x$ than to the vertex $y$ and which has been the considerable research in computational chemistry dating back to Harold Wiener in 1947. A connected graph is a cactus if any two of its cycles have at most one common vertex. In this paper, we completely determine the extremal graphs with the largest and smallest vertex PI indices among all the cacti. As a consequence, we obtain the sharp bounds with corresponding extremal cacti and extend a known result.Comment: Accepted by Transactions on Combinatorics, 201

The vertex PI index and Szeged index of bridge graphs

AbstractRecently the vertex Padmakar–Ivan (PIv) index of a graph G was introduced as the sum over all edges e=uv of G of the number of vertices which are not equidistant to the vertices u and v. In this paper the vertex PI index and Szeged index of bridge graphs are determined. Using these formulas, the vertex PI indices and Szeged indices of several graphs are computed

The Wiener, Eccentric Connectivity and Zagreb Indices of the Hierarchical Product of Graphs

Let G1 = (V1, E1) and G2 = (V2, E2) be two graphs having a distinguished or root vertex, labeled 0. The hierarchical product G2 ⊓ G1 of G2 and G1 is a graph with vertex set V2 × V1. Two vertices y2y1 and x2x1 are adjacent if and only if y1x1 ∈ E1 and y2 = x2; or y2x2 ∈ E2 and y1 = x1 = 0. In this paper, the Wiener, eccentric connectivity and Zagreb indices of this new operation of graphs are computed. As an application, these topological indices for a class of alkanes are computed. ACM Computing Classification System (1998): G.2.2, G.2.3.The research of this paper is partially supported by the University of Kashan under grant no 159020/12

A Method of Computing the PI Index of Benzenoid Hydrocarbons Using Orthogonal Cuts

The Padmakar-Ivan (PI) index of a graph G is defined as PI (G) = Σ [neu(e|G)+nev(e|G)], where for edge e=(u,v) are neu (e|G) the number of edges of G lying closer to u than v, and nev (e|G) is the number of edges of G lying closer to v than u and summation goes over all edges of G. The PI index is a Wiener-Szeged-like topological index developed very recently. In this paper we describe a method of computing PI index of benzenoid hydrocarbons (H) using orthogonal cuts. The method requires the finding of number of edges in the orthogonal cuts in a benzenoid system (H) and the edge number of H - a task significantly simpler than the calculation of PI index directly from its definition

Computing edge version of eccentric connectivity index of nanostar dendrimers

Let G be a molecular graph, the edge version of eccentric connectivity index of G are defined as ( ) ( ) å ∈ ( ) = ⋅ GEf c e ξ (G) deg f ecc f , where deg( f ) denotes the degree of an edge f and ecc( f ) is the largest distance between f and any other edge g of G , namely, eccentricity of f . In this paper exact formulas for the edge version of eccentric connectivity index of two classes of nanostar dendrimers were computed