mathematical chemistry is a branch of theoretical chemistry for discussion and prediction of the molecular structure using mathematical methods without necessarily referring to quantum mechanics. in theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds. the wiener polarity index ...

The present note is devoted to establish some extremal results for the zerothorder general Randić index of cacti, characterize the extremal polyomino chains with respect to the aforementioned index, and hence to generalize two already reported results.

Let T ∆ n denote the set of trees of order n, in which the degree of each vertex is bounded by some integer ∆. Suppose that every tree in T ∆ n is equally likely. We show that the number of vertices of degree j in T ∆ n is asymptotically normal with mean (μj + o(1))n and variance (σj + o(1))n, where μj , σj are some constants. As a consequence, we give estimate to the value of the general Zagre...

The general Randić index Rα(G) is the sum of the weight d(u)d(v)α over all edges uv of a graph G, where α is a real number and d(u) is the degree of the vertex u of G. In this paper, for any real number α = 0, the first three minimum general Randić indices among trees are determined, and the corresponding extremal trees are characterized.

Let Tn denote the set of all unrooted and unlabeled trees with n vertices, and (i, j) a double-star. By assuming that every tree of Tn is equally likely, we show that the limiting distribution of the number of occurrences of the double-star (i, j) in Tn is normal. Based on this result, we obtain the asymptotic value of Randić index for trees. Fajtlowicz conjectured that for any connected graph ...

The Wiener index W (G) of a connected graph G is defined as W (G) = ∑ u,v∈V (G) dG(u, v) where dG(u, v) is the distance between the vertices u and v of G. For S ⊆ V (G), the Steiner distance d(S) of the vertices of S is the minimum size of a connected subgraph of G whose vertex set is S. The k-th Steiner Wiener index SWk(G) of G is defined as SWk(G) = ∑ S⊆V (G) |S|=k d(S). We establish expressi...

a topological index of a molecular graph g is a numeric quantity related to g which isinvariant under symmetry properties of g. in this paper we obtain the randić, geometricarithmetic,first and second zagreb indices , first and second zagreb coindices of tensorproduct of two graphs and then the harary, schultz and modified schultz indices of tensorproduct of a graph g with complete graph of ord...