we define minimal cn-dominating graph $mathbf {mcn}(g)$, commonality minimal cn-dominating graph $mathbf {cmcn}(g)$ and vertex minimal cn-dominating graph $mathbf {m_{v}cn}(g)$, characterizations are given for graph $g$ for which the newly defined graphs are connected. further serval new results are developed relating to these graphs.

Chemical structures of organic compounds are characterized numerically by a variety of structural descriptors computed either from the molecular graph or from the three-dimensional (3D) molecular geometry. Extensive use of such structural descriptors or topological indices has been made in drug design, screening of chemical databases, similarity and diversity assessment, and quantitative struct...

Graph theoretical concepts have been used to model the molecular polarizabilities of fifty-four organic derivatives, and the induced dipole moment of a set of fifty-seven organic compounds divided into three subsets. The starting point of these modeling strategies is the hydrogen-suppressed chemical graph and pseudograph of a molecule, which works very well for second row atoms. From these type...

In this paper, we enumerate the parameter matrices of all perfect $2$-colorings of the Platonic graphs consisting of the tetrahedral graph, the cubical graph, the octahedral graph, the dodecahedral graph, and  the icosahedral graph.

a signed graph (marked graph) is an ordered pair $s=(g,sigma)$$(s=(g,mu))$, where $g=(v,e)$ is a graph called the underlyinggraph of $s$ and $sigma:erightarrow{+,-}$$(mu:vrightarrow{+,-})$ is a function. for a graph $g$, $v(g),e(g)$ and $c(g)$ denote its vertex set, edge set and cut-vertexset, respectively. the lict graph $l_{c}(g)$ of a graph $g=(v,e)$is defined as the graph having vertex set ...

Chemical reactions are described by edge relabeling graph transformation rules, in which a substrate chemical graph is transformed into a product chemical graph by breaking existing bonds and creating new bonds between atoms. These edge relabeling graph transformation rules are themselves chemical graphs, where the order of a bond before the chemical reaction is distinguished from the order of ...

The energy of a molecular graph G is defined as the summation of the absolute values of the eigenvalues of adjacency matrix of a graph G. In this paper, an infinite class of fullerene graphs with 10n vertices, n ≥ 2, is considered. By proving centrosymmetricity of the adjacency matrix of these fullerene graphs, a lower bound for its energy is given. Our method is general and can be extended to ...

It is shown that the vertices of benzenoid systems admit a labeling which reflects their distance relations. To every vertex of a molecular graph of a benzenoid hydrocarbon a sequence of zeros and ones (a binary number) can be associated, such that the number of positions in which these sequences differ is equal to the graph-theoretic vertex distance. It is shown by an example that such labelin...

The generation of molecular graphs by computer programs has undergone some changes. The development is reported with focus on various mathematical methods that are created and employed in this process. No attempt has been made to explicitely state and prove the theorems but this overview contains hints to the relevant literature. In particular, a new generator MOLGEN 4.0 is described that aims ...

Let G = (V,E) be a simple graph with n = |V | vertices and m = |E| edges; let d1, d2, . . . , dn denote the degrees of the vertices of G. If ∆ = max i di ≤ 4, G is a chemical graph. The first and second Zagreb indices are defined as M1 = ∑