On the minimal energy of unicyclic Hückel molecular graphs possessing Kekulé structures

Let G be any unicyclic Hückel molecular graph with Kekulé structures on n vertices where n≥8 is an even number. In [W. Wang, A. Chang, L. Zhang, D. Lu, Unicyclic Hückel molecular graphs with minimal energy, J. Math. Chem. 39 (1) (2006) 231-241], Wang et al. showed that if G satisfies certain conditions, then the energy of G is always greater than the energy of the radialene graph. In this paper we prove that this inequality actually holds under a much weaker condition.     

The number of independent sets in unicyclic graphs with a given diameter

Let U_n,d denote the set of unicyclic graphs with a given diameter d. In this paper, the unique unicyclic graph in U_n,d with the maximum number of independent sets, is characterized.     

Matching energy of unicyclic and bicyclic graphs with a given diameter

Gutman and Wagner proposed the concept of matching energy (ME) and pointed out that the chemical applications of ME go back to the 1970s. Let G be a simple graph of order n and be the roots of its matching polynomial. The ME of G is defined to be the sum of the absolute values of . In this article, we characterize the graphs with minimal ME among all unicyclic and bicyclic graphs with a given diameter d. © 2014 Wiley Periodicals, Inc. Complexity 21: 224–238, 2015     

On bipartite graphs with minimal energy

The energy of a graph is the sum of the absolute values of the eigenvalues of the graph. In a paper [G. Caporossi, D. Cvetkovi, I. Gutman, P. Hansen, Variable neighborhood search for extremal graphs. 2. Finding graphs with external energy, J. Chem. Inf. Comput. Sci. 39 (1999) 984-996] Caporossi et al. conjectured that among all connected graphs G with n≥6 vertices and n−1≤m≤2(n−2) edges, the graphs with minimum energy are the star S_n with m−n+1 additional edges all connected to the same vertices for m≤n+⌊(n−7)/2⌋, and the bipartite graph with two vertices on one side, one of which is connected to all vertices on the other side, otherwise. The conjecture is proved to be true for m=n−1,2(n−2) in the same paper by Caporossi et al. themselves, and for m=n by Hou in [Y. Hou, Unicyclic graphs with minimal energy, J. Math. Chem. 29 (2001) 163-168]. In this paper, we give a complete solution for the second part of the conjecture on bipartite graphs. Moreover, we determine the graph with the second-minimal energy in all connected bipartite graphs with n vertices and edges.     

On the spectral radii of unicyclic graphs with fixed matching number

In this paper, the first five sharp upper bounds on the spectral radii of unicyclic graphs with fixed matching number are presented. The first ten spectral radii over the class of unicyclic graphs on a given number of vertices and the first four spectral radii of unicyclic graphs with perfect matchings are also given, respectively.     

On extremal unicyclic molecular graphs with maximal Hosoya index

Let G be a unicyclic n-vertex graph and Z(G) be its Hosoya index, let F_n stand for the nth Fibonacci number. It is proved in this paper that Z(G)≤F_n+1+F_n−1 with the equality holding if and only if G is isomorphic to C_n, the n-vertex cycle, and that if G≠C_n then Z(G)≤F_n+1+2F_n−3 with the equality holding if and only if G=Q_n or D_n, where graph Q_n is obtained by pasting one endpoint of a 3-vertex path to a vertex of C_n−2 and D_n is obtained by pasting one endpoint of an (n−3)-vertex path to a vertex of C₄.     

The Wiener index of unicyclic graphs given number of pendant vertices or cut vertices

In this paper, we consider the conjugate-Toeplitz (CT) and conjugate-Hankel (CH) matrices. It is proved that the inverse of these special matrices can be expressed as the sum of products of lower and upper triangular matrices. Firstly, we get access to the explicit inverse of conjugate-Toeplitz matrix. Secondly, the decomposition of the inverse is obtained. Similarly, the formulae and the decomposition on inverse of conjugate-Hankel are provided. Thirdly, the stability of the inverse formulae of CT and CH matrices are discussed. Finally, examples are provided to verify the feasibility of the algorithms provided in this paper.     

Minimizing the least eigenvalue of unicyclic graphs with fixed diameter

Let U(n,d) be the set of unicyclic graphs on n vertices with diameter d. In this article, we determine the unique graph with minimal least eigenvalue among all graphs in U(n,d). It is found that the extremal graph is different from that for the corresponding problem on maximal eigenvalue as done by Liu et al. [H.Q. Liu, M. Lu, F. Tian, On the spectral radius of unicyclic graphs with fixed diameter, Linear Algebra Appl. 420 (2007) 449-457].     

Some results on Laplacian spectral radius of graphs with cut vertices

In this paper, we give some results on Laplacian spectral radius of graphs with cut vertices, and as their applications, we also determine the unique graph with the largest Laplacian spectral radius among all unicyclic graphs with n vertices and diameter d, 3?d?n−3.     

The smallest values of algebraic connectivity for unicyclic graphs

The algebraic connectivity of G is the second smallest eigenvalue of its Laplacian matrix. Let U_n be the set of all unicyclic graphs of order n. In this paper, we will provide the ordering of unicyclic graphs in U_n up to the last seven graphs according to their algebraic connectivities when n≥13. This extends the results of Liu and Liu [Y. Liu, Y. Liu, The ordering of unicyclic graphs with the smallest algebraic connectivity, Discrete Math. 309 (2009) 4315-4325] and Guo [J.-M. Guo, A conjecture on the algebraic connectivity of connected graphs with fixed girth, Discrete Math. 308 (2008) 5702-5711].     

On graphs with given main eigenvalues

An eigenvalue of a graph is main if it has an eigenvector, the sum of whose entries is not equal to zero. Extending previous results of Hagos and Hou et al. we obtain two conditions for graphs with given main eigenvalues. All trees and connected unicyclic graphs with exactly two main eigenvalues were characterized by Hou et al. Extending their results, we determine all bicyclic connected graphs with exactly two main eigenvalues.     

Some results on the ordering of the Laplacian spectral radii of unicyclic graphs

A unicyclic graph is a graph whose number of edges is equal to the number of vertices. Guo Shu-Guang [S.G. Guo, The largest Laplacian spectral radius of unicyclic graph, Appl. Math. J. Chinese Univ. Ser. A. 16 (2) (2001) 131–135] determined the first four largest Laplacian spectral radii together with the corresponding graphs among all unicyclic graphs on n vertices. In this paper, we extend this ordering by determining the fifth to the ninth largest Laplacian spectral radii together with the corresponding graphs among all unicyclic graphs on n vertices.     

The ordering of unicyclic graphs with the smallest algebraic connectivity

Fielder [M. Fielder, Algebraic connectivity of graphs, Czechoslovak Math. J. 23 (1973) 298-305] has turned out that G is connected if and only if its algebraic connectivity a(G)>0. In 1998, Fallat and Kirkland [S.M. Fallat, S. Kirkland, Extremizing algebraic connectivity subject to graph theoretic constraints, Electron. J. Linear Algebra 3 (1998) 48-74] posed a conjecture: if G is a connected graph on n vertices with girth g≥3, then a(G)≥a(C_n,g) and that equality holds if and only if G is isomorphic to C_n,g. In 2007, Guo [J.M. Guo, A conjecture on the algebraic connectivity of connected graphs with fixed girth, Discrete Math. 308 (2008) 5702-5711] gave an affirmatively answer for the conjecture. In this paper, we determine the second and the third smallest algebraic connectivity among all unicyclic graphs with vertices.     

On the eccentric distance sum of trees and unicyclic graphs

Let G be a simple connected graph with the vertex set V(G). The eccentric distance sum of G is defined as ξd(G)=_∑v∈V(G)ε(v)DG(v), where ε(v) is the eccentricity of the vertex v and DG(v)=_∑u∈V(G)d(u,v) is the sum of all distances from the vertex v. In this paper we characterize the extremal unicyclic graphs among n-vertex unicyclic graphs with given girth having the minimal and second minimal eccentric distance sum. In addition, we characterize the extremal trees with given diameter and minimal eccentric distance sum.     

The maximum number of maximal independent sets in unicyclic connected graphs

In this paper, we determine the maximum number of maximal independent sets in a unicyclic connected graph. We also find a class of graphs achieving this maximum value.     

The signless Laplacian spectral radius of graphs with given degree sequences

In this paper, we investigate the properties of the largest signless Laplacian spectral radius in the set of all simple connected graphs with a given degree sequence. These results are used to characterize the unicyclic graphs that have the largest signless Laplacian spectral radius for a given unicyclic graphic degree sequence. Moreover, all extremal unicyclic graphs having the largest signless Laplacian spectral radius are obtained in the sets of all unicyclic graphs of order n with a specified number of leaves or maximum degree or independence number or matching number.     

On classes of minimal circular-imperfect graphs

Circular-perfect graphs form a natural superclass of perfect graphs: on the one hand due to their definition by means of a more general coloring concept, on the other hand as an important class of χ-bound graphs with the smallest non-trivial χ-binding function χ(G)?ω(G)+1.The Strong Perfect Graph Conjecture, recently settled by Chudnovsky et al. [The strong perfect graph theorem, Ann. of Math. 164 (2006) 51-229], provides a characterization of perfect graphs by means of forbidden subgraphs. It is, therefore, natural to ask for an analogous conjecture for circular-perfect graphs, that is for a characterization of all minimal circular-imperfect graphs.At present, not many minimal circular-imperfect graphs are known. This paper studies the circular-(im)perfection of some families of graphs: normalized circular cliques, partitionable graphs, planar graphs, and complete joins. We thereby exhibit classes of minimal circular-imperfect graphs, namely, certain partitionable webs, a subclass of planar graphs, and odd wheels and odd antiwheels. As those classes appear to be very different from a structural point of view, we infer that formulating an appropriate conjecture for circular-perfect graphs, as analogue to the Strong Perfect Graph Theorem, seems to be difficult.