Let T be an acyclic molecule with n vertices, and let S(T ) be the acyclic molecule obtained from T by replacing each edge of T by a path of length two. In this work, we show that the Wiener index of T can be explained as the number of matchings with n− 2 edges in S(T ). Furthermore, some related results are also obtained.

We study distance-based graph invariants, such as the Wiener index, the Szeged index, and variants of these two. Relations between the various indices for trees are provided as well as formulas for line graphs and product graphs. This allows us, for instance, to establish formulas for the edge Wiener index of Hamming graphs, C4nanotubes and C4-nanotori. We also determine minimum and maximum of ...

The Padmakar-Ivan (PI) index is a Wiener-Szeged-like topological index which reflects certain structural features of organic molecules. The PI index of a graph G is the sum of all edges uv of G of the number of edges which are not equidistant from the vertices u and v. In this paper we obtain the second and third extremals of catacondensed hexagonal systems with respect to the PI index.

Molecules and molecular compounds are often modeled by molecular graphs. One of the most widely known topological descriptor [6, 9] is the Wiener index named after chemist Harold Wiener [13]. The Wiener index of a graph G(V, E) is defined as W (G) = ∑ u,v∈V d(u, v), where d(u, v) is the distance between vertices u and v (minimum number of edges between u and v). A majority of the chemical appli...

An explicit, non-recursive formula for the Wiener index of any given benzenoid chain is derived, greatly speeding up calculations and rendering it manually manageable, through a novel envisioning of chains as ternary strings. Previous results are encompassed and two completely new and useful ones are obtained, a formula to determine Wiener indices of benzenoid chains in periodic patterns, and a...

Hansen et. al., using the AutoGraphiX software package, conjectured that the Szeged index Sz(G) and the Wiener index W (G) of a connected bipartite graph G with n ≥ 4 vertices and m ≥ n edges, obeys the relation Sz(G) − W (G) ≥ 4n − 8. Moreover, this bound would be the best possible. This paper offers a proof to this conjecture.

Let Sz(G), Sz(G) and W (G) be the Szeged index, revised Szeged index and Wiener index of a graph G. In this paper, the graphs with the fourth, fifth, sixth and seventh largest Wiener indices among all unicyclic graphs of order n > 10 are characterized; and the graphs with the first, second, third, and fourth largest Wiener indices among all bicyclic graphs are identified. Based on these results...

If G is a connected graph, then the distance between two edges is, by definition, the distance between the corresponding vertices of the line graph of G. The edge-Wiener index We of G is then equal to the sum of distances between all pairs of edges of G. We give bounds on We in terms of order and size. In particular we prove the asymptotically sharp upper bound We(G) ≤ 25 55 n5 + O(n9/2) for gr...

Introduced in 1947, the Wiener index W (T ) = ∑ {u,v}⊆V (T ) d(u, v) is one of the most thoroughly studied chemical indices. The extremal structures (in particular, trees with various constraints) that maximize or minimize the Wiener index have been extensively investigated. The Harary index H(T ) = ∑ {u,v}⊆V (T ) 1 d(u,v) , introduced in 1993, can be considered as the “reciprocal analogue” of ...