The variable Zagreb (v)M(2) index is introduced and applied to the structure-boiling point modeling of benzenoid hydrocarbons. The linear model obtained (the standard error of estimate for the fit model S(fit)=6.8 degrees C) is much better than the corresponding model based on the original Zagreb M2 index (S(fit)=16.4 degrees C). Surprisingly,the model based on the variable vertex-connectivity ...

There is a natural linkage between the molecular structures and the bio-medical and pharmacology characteristics. A topological index can be considered as transformation of chemical structure in to real number and has been used as a predictor parameter. There are certain vertex-degree-based topological indices which has been used extensively in the chemical graph theory but recently no further ...

The hyper-Kirchhoff index is introduced when the hyper-Wiener operator is applied to the resistance-distance matrix of a connected graph. We give lower and upper bounds for the hyper-Kirchhoff index, and determine the n-vertex unicyclic graphs with the smallest, the second and the third smallest as well as the largest, the second and the third largest hyper-Kirchhoff indices for n ≥ 5. We also ...

For a simple graph G with n vertices and m edges, the first Zagreb index and the second Zagreb index are defined as M1(G) = ∑ v∈V d(v) 2 and M2(G) = ∑ uv∈E d(u)d(v). In [34], it was shown that if a connected graph G has maximal degree 4, then G satisfies M1(G)/n = M2(G)/m (also known as the Zagreb indices equality) if and only if G is regular or biregular of class 1 (a biregular graph whose no ...

Let [Formula: see text] be a graph. A set [Formula: see text] is a distance k-dominating set of G if for every vertex [Formula: see text], [Formula: see text] for some vertex [Formula: see text], where k is a positive integer. The distance k-domination number [Formula: see text] of G is the minimum cardinality among all distance k-dominating sets of G. The first Zagreb index of G is defined as ...

‎Let G=(V(G),E(G)) be a simple connected graph with vertex set V(G) and edge‎ ‎set E(G)‎. ‎The (first) edge-hyper Wiener index of the graph G is defined as‎: ‎$$WW_{e}(G)=sum_{{f,g}subseteq E(G)}(d_{e}(f,g|G)+d_{e}^{2}(f,g|G))=frac{1}{2}sum_{fin E(G)}(d_{e}(f|G)+d^{2}_{e}(f|G)),$$‎ ‎where de(f,g|G) denotes the distance between the edges f=xy and g=uv in E(G) and de(f|G)=∑g€(G)de(f,g|G). ‎In thi...

In this paper, we present sharp bounds for the Zagreb indices, Harary index and hyperWiener index of graphs with a given matching number, and we also completely determine the extremal graphs. © 2010 Elsevier Ltd. All rights reserved.

By d(v|G) and d_2(v|G) are denoted the number of first and second neighborsof the vertex v of the graph G. The first, second, and third leap Zagreb indicesof G are defined asLM_1(G) = sum_{v in V(G)} d_2(v|G)^2, LM_2(G) = sum_{uv in E(G)} d_2(u|G) d_2(v|G),and LM_3(G) = sum_{v in V(G)} d(v|G) d_2(v|G), respectively. In this paper, we generalizethe results of Naji et al. [Commun. Combin. Optim. ...

We derive sharp lower bounds for the first and the second Zagreb indices (M1 and M2 respectively) for trees and chemical trees with the given number of pendent vertices and find optimal trees. M1 is minimized by a tree with all internal vertices having degree 4, while M2 is minimized by a tree where each “stem” vertex is incident to 3 or 4 pendent vertices and one internal vertex, while the res...

In a study on the structure–dependency of the total π-electron energy from 1972, Trinajstić and one of the present authors have shown that it depends on the sums ∑ v∈V d(v) 2 and ∑ v∈V d(v) , where d(v) is the degree of a vertex v of the underling molecular graph G. The first sum was later named first Zagreb index and over the years became one of the most investigated graph–based molecular stru...