In theoretical chemistry, the researchers use graph models to express the structure of molecular, and the Zagreb indices and multiplicative Zagreb indices defined on molecular graph G are applied to measure the chemical characteristics of compounds and drugs. In this paper, we present the exact expressions of multiplicative Zagreb indices for certain important chemical structures like nanotube,...

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...

Topological indices are the mathematical tools that correlate the chemical structure with various physical properties, chemical reactivity or biological activity numerically. A topological index is a function having a set of graphs as its domain and a set of real numbers as its range. In QSAR/QSPR study, a prediction about the bioactivity of chemical compounds is made on the basis of physico-ch...

The reformulated Zagreb indices of a graph are obtained from the classical Zagreb indices by replacing vertex degrees with edge degrees, where the degree of an edge is taken as the sum of degrees of the end vertices of the edge minus 2. In this paper, we study the behavior of the reformulated first Zagreb index and apply our results to different chemically interesting molecular graphs and nano-...

let g be a simple connected graph. the first and second zagreb indices have been introducedas  vv(g)(v)2 m1(g) degg and m2(g)  uve(g)degg(u)degg(v) , respectively,where degg v(degg u) is the degree of vertex v (u) . in this paper, we define a newdistance-based named hyperzagreb as e uv e(g) .(v))2 hm(g)     (degg(u)  degg inthis paper, the hyperzagreb index of the cartesian product...

Abstract In this paper, we give various lower and upper bounds for the energy of graphs in terms several topological indices graphs: first general multiplicative Zagreb index, Randić zeroth-order redefined indices, atom-bond connectivity index. Moreover, obtain new certain graph invariants as diameter, girth, algebraic radius.

In this note, we derive the lower bound on the sum for Wiener index of bipartite graph and its bipartite complement, as well as the lower and upper bounds on this sum for the Randić index and Zagreb indices. We also discuss the quality of these bounds.

in this paper, the hyper - zagreb index of the cartesian product, composition and corona product of graphs are computed. these corrects some errors in g. h. shirdel et al.[11].

Many existing degree based topological indices can be clasified as bond incident degree (BID) indices, whose general form is BID(G) = ∑ uv∈E(G) Ψ(du, dv), where uv is the edge connecting the vertices u, v of the graph G, E(G) is the edge set of G, du is the degree of the vertex u and Ψ is a non-negative real valued (symmetric) function of du and dv. Here, it has been proven that if the extensio...