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Let $G=(V,E)$ be a graph with $n$ vertices and $m$ edges. The hyper Zagreb index of $G$, denoted by $HM(G)$, is defined as $HM(G) =\sum\limits_{uv \in E(G)}\left[d_{G}(u)+d_G(v)\right]^{2}$ where $d_G(v)$ denotes the degree of a vertex $v$…

We present efficient combinatorial parameterized algorithms for several classical graph-based counting problems in computational chemistry, including (i) Kekule structures, (ii) the Hosoya index, (iii) the Merrifield-Simmons index, and (iv)…

Topological indices are graph invariants numeric quantities, which are utilized by researchers to analyze a variety of physiochemical aspects of molecules. The goal of developing topological indices is to give each chemical structure a…

The Wiener index of a network, introduced by the chemist Harry Wiener, is the sum of distances between all pairs of nodes in the network. This index, originally used in chemical graph representations of the non-hydrogen atoms of a molecule,…

An atom $a$ of a molecular graph $G$ uniquely determines (resolves) a pair $(a_1,a_2)$ of atoms of $G$ if the distance between $a$ and $a_1$ is different from the distance between $a$ and $a_2$. In this paper, we quantify the involvement of…

For a simple graph $G$ with $n$ vertices and $m$ edges, the first Zagreb index and the second Zagreb index are defined as $M_1(G)=\sum_{v\in V}d(v)^2 $ and $M_2(G)=\sum_{uv\in E}d(u)d(v)$. In \cite{VGFAD}, it was shown that if a connected…

Graph operations are crucial for building complicated network architectures from simple graphs. In [7], authors defined two new variants of Corona product and investigated some topological indices. In this paper, we extended the work and…

We revisit the problem of designing sublinear algorithms for estimating the average degree of an $n$-vertex graph. The standard access model for graphs allows for the following queries: sampling a uniform random vertex, the degree of a…

The reverse Wiener index of a connected graph $G$ is a variation of the well-known Wiener index $W(G)$ defined as the sum of distances between all unordered pairs of vertices of $G$. It is defined as $\Lambda(G)=\frac{1}{2}n(n-1)d-W(G)$,…

Hydrocarbon pyrolysis is a complex chemical reaction system at extreme temperature and pressure conditions involving large numbers of chemical reactions and chemical species. Only two kinds of atoms are involved: carbons and hydrogens. Its…

Heydari \cite{heydari2013} presented very nice formulae for the Wiener and terminal Wiener indices of generalized Bethe trees. It is pity that there are some errors for the formulae. In this paper, we correct these errors and characterize…

There is powerful relation between the chemical behaviour of chemical compounds and their molecular structures. Topological indices defined on these chemical molecular structures are capable to predict physical properties, chemical…

A topological index reflects the physical, chemical and structural properties of a molecule, and its study has an important role in molecular topology, chemical graph theory and mathematical chemistry. It is a natural problem to…

Let $G$ be a simple connected graph with the vertex set $V(G)$ and $d_{B}^2(u,v)$ be the biharmonic distance between two vertices $u$ and $v$ in $G$. The biharmonic index $BH(G)$ of $G$ is defined as $$BH(G)=\frac{1}{2}\sum\limits_{u\in…

For a connected graph $G$ on at least three vertices, the augmented Zagreb index (AZI) of $G$ is defined as $$AZI(G)=\sum_{uv\in E(G)}\left(\frac{d(u)d(v)}{d(u)+d(v)-2}\right)^{3},$$ being a topological index well-correlated with the…

In this paper, we investigate The relationship between the Albertson index and the first Zagreb index for trees. For a tree $T=(V,E)$ with $n=|V|$ vertices and $m=|E|$ edges, we provide several bounds and exact formulas for these two…

The first and the second Zagreb eccentricity index of a graph $G$ are defined as $E_1(G)=\sum_{v\in V(G)}\varepsilon_{G}(v)^{2}$ and $E_2(G)=\sum_{uv\in E(G)}\varepsilon_{G}(u)\varepsilon_{G}(v)$, respectively, where $\varepsilon_G(v)$ is…

The authors Mili$\breve{c}$evi$\acute{c}$ et al. introduced the reformulated Zagreb indices, which is a generalization of classical Zagreb indices of chemical graph theory. In the paper, we characterize the extremal properties of the first…

Let $G = (V, E)$ be a graph. The first Zagreb index of a graph $G$ is defined as $\sum_{u \in V} d^2(u)$, where $d(u)$ is the degree of vertex $u$ in $G$. Using the P\'{o}lya-Szeg\H{o} inequality, we in this paper present the first Zagreb…

The first Zagreb index of a graph $G$ is the sum of squares of the vertex degrees in a graph and the second Zagreb index of $G$ is the sum of products of degrees of adjacent vertices in $G$. The imbalance of an edge in $G$ is the numerical…