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The aim of this paper is to obtain new inequalities for a large family of generalizations of the Wiener Index and to characterize the set of extremal graphs with respect to them. Our main results provide upper and lower bounds for these…

Recently, a couple of degree-based topological indices, defined using a geometrical point of view of a graph edge, have attracted significant attention and being extensively investigated. Furtula and Oz [Complementary Topological Indices,…

We calculate the Wiener index of the zero-divisor graph of a finite semisimple ring. We also calculate the Wiener complexity of the zero-divisor graph of a finite simple ring and find an upper bound for the Wiener complexity in the…

In this paper we give new bounds for a several vertex-based and edge-based topological indices of graphs: Albertson irregularity index, degree variance index, Mostar and the first Zagreb index. Moreover, we give a new upper bound for the…

Let $\mathcal {T}^{\Delta}_n$ denote the set of trees of order $n$, in which the degree of each vertex is bounded by some integer $\Delta$. Suppose that every tree in $\mathcal {T}^{\Delta}_n$ is equally likely. We show that the number of…

In this paper, we determine precise formulas for the diameters, the number of perfect matchings, and the Tutte polynomials for an infinite family of finite graphs, namely the Schreier graphs of tree automaton groups, also called tree graph…

Let G be a graph with vertex set V (G) and edge set E(G). The first generalized multiplicative Zagreb index of G is M_1(G) and the second multiplicative Zagreb index is M_2(G). The multiplicative Zagreb indices have been the focus of…

Liquids in equilibrium exhibit two types of disorder, simple and complex. Typical simple disorder liquid are liquid nitrogen, or weakly polar liquids. Complex liquids concern those who can form long lived local assemblies, and cover a large…

The Hosoya polynomial of a graph encompasses many of its metric properties, for instance the Wiener index (alias average distance) and the hyper-Wiener index. An expression is obtained that reduces the computation of the Hosoya polynomials…

In the paper [I. Gutman, N. Trinajsti\'c, Chem. Phys. Lett. 17 (1972), 535], it was shown that total $\pi$-electron energy ($E$) of a molecule $M$ depends on the quantity $\sum_{v\in V(G)}d_{v}^{2}$ (nowadays known as the "first Zagreb…

In 1997 Klav\v{z}ar and Gutman suggested a generalization of the Wiener index to vertex-weighted graphs. We minimize the Wiener index over the set of trees with the given vertex weights' and degrees' sequences and show an optimal tree to be…

We develop random graph models where graphs are generated by connecting not only pairs of vertices by edges but also larger subsets of vertices by copies of small atomic subgraphs of arbitrary topology. This allows the for the generation of…

The weighted Szeged index and the weighted vertex-PI index of a connected graph $G$ are defined as $wSz(G) = \sum_{e=uv \in E(G)} (deg (u) + deg (v))n_u(e)n_v(e)$ and $wPI_v(G) = \sum_{e=uv \in E(G)} (deg(u) + deg(v))( n_u(e) + n_v(e))$,…

We examine the quantity \[S(G) = \sum_{uv\in E(G)} \min(\text{deg } u, \text{deg } v)\] over sets of graphs with a fixed number of edges. The main result shows the maximum possible value of $S(G)$ is achieved by three different classes of…

The approach based on selected set of samples and selected set of analytical tools occurred quite efficient when applying to amorphous carbons thus leading to a transformation of the current representation of the issue based on particulars…

Topological indices have been used to modeling biological and chemical properties of molecules in quantitive structure property relationship studies and quantitive structure activity studies. All the degree based topological indices have…

In estimating the complexity of objects, in particular of graphs, it is common practice to rely on graph- and information-theoretic measures. Here, using integer sequences with properties such as Borel normality, we explain how these…

We present an approach to approximating static properties of glasses without experimental inputs rooted in the first-principles random structure sampling. In our approach, the glassy system is represented by a collection (composite) of…

A new code called VAAQP (Variational Average-Atom in Quantum Plasmas) is reported. The model as well as main results of previous studies are briefly recalled. The code is based on a new fully variational model of dense plasmas at…

Let $\prod(G)$ be Multiplicative Zagreb index of a graph G. A connected graph is a cactus graph if and only if any two of its cycles have at most one vertex in common, which has been the interest of researchers in the filed of material…