The Wiener index of a graph G is defined as W(G) = 1/2∑{x,y}⊆V(G)d(x,y), where V(G) is the set of all vertices of G and for x,y ∈ V(G), d(x,y) denotes the length of a minimal path between x and y. In this paper, we first report our recent results on computing Wiener, PI and Balaban indices of some nanotubes and nanotori. Next, the PI and Szeged indices of a new type of nanostar dendrimers are c...

Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...

‎the second multiplicative zagreb coindex of a simple graph $g$ is‎ ‎defined as‎: ‎$${overline{pi{}}}_2left(gright)=prod_{uvnotin{}e(g)}d_gleft(uright)d_gleft(vright),$$‎ ‎where $d_gleft(uright)$ denotes the degree of the vertex $u$ of‎ ‎$g$‎. ‎in this paper‎, ‎we compare $overline{{pi}}_2$-index with‎ ‎some well-known graph invariants such as the wiener index‎, ‎schultz‎ ‎index‎, ‎eccentric co...

in this paper, some applications of our earlier results in working with chemical graphs arepresented.

The geometric-arithmetic index is another topological index was defined as 2 deg ( )deg ( ) ( ) deg ( ) deg ( ) G G uv E G G u v GA G u v     , in which degree of vertex u denoted by degG (u). We now define a new version of GA index as 4 ( ) 2 ε ( )ε ( ) ( ) ε ( ) ε ( ) G G e uv E G G G u v GA G   u v    , where εG(u) is the eccentricity of vertex u. In this paper we compute this new t...

Recently, Hua et al. defined a new topological index based on degrees and inverse of distances between all pairs of vertices. They named this new graph invariant as reciprocal degree distance as 1 { , } ( ) ( ( ) ( ))[ ( , )] RDD(G) = u v V G d u  d v d u v , where the d(u,v) denotes the distance between vertices u and v. In this paper, we compute this topological index for Grassmann graphs.

recently, hua et al. defined a new topological index based on degrees and inverse ofdistances between all pairs of vertices. they named this new graph invariant as reciprocaldegree distance as 1{ , } ( ) ( ( ) ( ))[ ( , )]rdd(g) = u v v g d u  d v d u v , where the d(u,v) denotesthe distance between vertices u and v. in this paper, we compute this topological index forgrassmann graphs.

The theoretical models based on valence connectivity index of the 3rd order, 3χv, have been discussed in terms of their ability to predict stability of coordination compounds. The key factors for the success are: (1) the choice of reliable experimental data for the calibration of the model, (2) writing an appropriate constitutional formula (i.e. graph) of the complex, and (3) development of pro...

The atom–bond connectivity (ABC) index of a graph G is defined as

We introduce a partial order on the collection of chemical trees based on tree transformations. This partial order is tightly related to the Randić connectivity index χ. Its analysis provides new structural information about the behavior of χ. As an illustration of the approach presented, we give a different and more structural view of some known results about the first values of χ on the colle...