Graphs are used to model chemical compounds and drugs. In the graphs, each vertex represents an atom of molecule and edges between the corresponding vertices are used to represent covalent bounds between atoms. The Wiener polarity index W p (G) of a graph G is the number of unordered pairs of vertices u, v of G such that the distance between u and v is equal to 3. The trees and unicyclic graphs...

The spectral radius of a graph is the largest eigenvalue of its adjacency matrix. Let U g n be the set of unicyclic graphs of order n with girth g. For all integers n and g with 5 ≤ g ≤ n − 6, we determine the first ⌊ g2⌋+ 3 spectral radii of unicyclic graphs in the set U g n .

Balaban index and Sum-Balaban index were used in various quantitative structureproperty relationship and quantitative structure activity relationship studies. In this paper, the unicyclic graphs with the second largest Balaban index and the second largest SumBalaban index among all unicyclic graphs on n vertices are characterized, respectively.

In this paper, we determine the four trees (resp. the three unicyclic graphs), which share the second to fifth (resp. the second to fourth) largest Laplacian spreads among all the trees (resp. connected unicyclic graphs) on n ≥ 10 (respectively n ≥ 17) vertices.

The Hosoya index of a (molecular) graph is defined as the total number of the matchings, including the empty edge set, of this graph. Let Un,d be the set of connected unicyclic (molecular) graphs of order n with diameter d. In this paper we completely characterize the graphs from Un,d minimizing the Hosoya index and determine the values of corresponding indices. Moreover, the third smallest Hos...

The nullity of a graph is the multiplicity of the eigenvalue zero in its spectrum. In this paper we show the expression of the nullity and nullity set of unicyclic graphs with n vertices and girth r, and characterize the unicyclic graphs with extremal nullity.

The purpose of this paper is to obtain a necessary and sufficient condition for the tensor product of two or more graphs to be connected, bipartite or eulerian. Also, we present a characterization of the duplicate graph $G 1 K_2$ to be unicyclic. Finally, the girth and the formula for computing the number of triangles in the tensor product of graphs are worked out.

The revised edge-Szeged index of a connected graph $G$ is defined as Sze*(G)=∑e=uv∊E(G)( (mu(e|G)+(m0(e|G)/2)(mv(e|G)+(m0(e|G)/2) ), where mu(e|G), mv(e|G) and m0(e|G) are, respectively, the number of edges of G lying closer to vertex u than to vertex v, the number of ed...

the reverse degree distance of a connected graph $g$ is defined in discrete mathematical chemistry as [ r (g)=2(n-1)md-sum_{uin v(g)}d_g(u)d_g(u), ] where $n$, $m$ and $d$ are the number of vertices, the number of edges and the diameter of $g$, respectively, $d_g(u)$ is the degree of vertex $u$, $d_g(u)$ is the sum of distance between vertex $u$ and all other vertices of $g$, and $v(g)$ is the ...

The detour index of a connected graph is defined as the sum of the detour distances (lengths of longest paths) between unordered pairs of vertices of the graph. We give bounds for the detour index, determine the graphs with minimum and maximum detour indices respectively in the class of n-vertex unicyclic graphs with cycle length r, where 3 ≤ r ≤ n−2, and the graphs with the first, the second a...