It is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. Quantitative structure – activity relationship (QSAR) studies and quantitative structure –property relationship (QSPR) studies are active areas of chemical research that focus on the nature ofthis dependency. Topological indices are the numerical value associated with chemical constitution...

Three new distance—based topological indices are described; two of them, D and D1 (mean distance topological indices, for any graphs, and for acyclic graphs, respectively) have a modest discriminating ability but may be useful for correlations, e. g. with octane numbers. The third index, J (average distance sum connectivity) is the least degenerate single topological index proposed till now. Th...

The chromatic number of a graph G, denoted by χ(G), is the minimum number of colors such that G can be colored with these colors in such a way that no two adjacent vertices have the same color. A clique in a graph is a set of mutually adjacent vertices. The maximum size of a clique in a graph G is called the clique number of G. The Turán graph Tn(k) is a complete k-partite graph whose partition...

Topological Chern indices are related to the number of rotational states in each molecular vibrational band. Modification of the indices is associated to the appearance of "band degeneracies," and exchange of rotational states between two consecutive bands. The topological dynamical origin of these indices is demonstrated through a semiclassical approach, and their values are computed in two ex...

The generalized Mycielskians are the generalization of the Mycielski graphs, which were introduced by Mycielski in 1955. A topological index is a numeric parameter mathematically derived from a graph and is invariant under automorphism of graphs. Topological indices are widely used for establishing correlations between the structure of a molecular compound and its different physico-chemical pro...

Graph theory has provided a very useful tool, called topological indices which are a number obtained from the graph $G$ with the property that every graph $H$ isomorphic to $G$, value of a topological index must be same for both $G$ and $H$. In this article, we present exact expressions for some topological indices of k-th subdivision graph and semi total point graphs respectively, which are a ...

Dendrimers are highly branched organic macromolecules with successive layers of branch units surrounding a central core. The M-polynomial of nanotubes has been vastly investigated as it produces many degree-based topological indices. These indices are invariants of the topology of graphs associated with molecular structure of nanomaterials to correlate certain physicochemical properties like bo...

Zagreb indices belong to better known and better researched topological indices. We investigate here their ability to discriminate among benzenoid graphs and arrive at some quite unexpected conclusions. Along the way we establish tight (and sometimes sharp) lower and upper bounds on various classes of benzenoids.