In theoretical chemistry, molecular structure descriptors are used to compute properties of chemical compounds. Among them Wiener, Szeged and detour indices play significant roles in anticipating chemical phenomena. In the present paper, we study these topological indices with respect to their difference number.

Using the approach of mutual contribution of vertices to the value of topological indices derived from parts of a universal matrix gave the idea how to develop new topological indices. Some of the newly developed indices are useful indices of Octane Numbers and of Critical Pressure of alkanes of equal carbon number, giving rise to abs(Rfit) > 0.99. Using them we estimated the missing data of Oc...

The aim of this paper is using the majorization technique to identify the classes of trees with extermal (minimal or maximal) value of some topological indices, among all trees of order n ≥ 12

wiener index is a topological index based on distance between every pair of vertices in agraph g. it was introduced in 1947 by one of the pioneer of this area e.g, harold wiener. inthe present paper, by using a new method introduced by klavžar we compute the wiener andszeged indices of some nanostar dendrimers.

One of considerable topics in chemistry is surveying the quantitative structure-property relationship between the structure of a molecule and chemical, physical and biological properties of it(QSPR). For this purpose, the form of molecule must be coded according to numbers. A common method, for coding the molecule structure, is to assign a graph to the molecule, where the vertices are atoms of ...

a topological index of a molecular graph g is a numeric quantity related to g which isinvariant under symmetry properties of g. in this paper we obtain the randić, geometricarithmetic,first and second zagreb indices , first and second zagreb coindices of tensorproduct of two graphs and then the harary, schultz and modified schultz indices of tensorproduct of a graph g with complete graph of ord...

The recent discovery of boron triangular nanotubes competes with carbon in many respects. The closed form of M-polynomial of nanotubes produces closed forms of many degree-based topological indices which are numerical parameters of the structure and, in combination, determine properties of the concerned nanotubes. In this report, we give M-polynomials of boron triangular nanotubes and recover m...

Mathematical descriptors of molecular structure, such as various topological indices, have been widely used in structure-property-activity studies (see [5, 6, 12]). Among the numerous topological indices considered in chemical graph theory, only a few have been found noteworthy in practical application (see [10]). One of these is the connectivity index or Randić index. The Randić index of an or...

Polynomial interpolation can be used to obtain closed formulas for topological indices of infinite series of molecular graphs. The method is discussed and its advantages and limitations are pointed out. This is illustrated on fullerenes C12k+4 and four topological indices: the Wiener index, the edge Wiener index, the eccentric connectivity index, and the reverse Wiener index. The results for th...

We give sharp upper bounds on the Zagreb indices and lower bounds on the Zagreb coindices of chemical trees and characterize the case of equality for each of these topological invariants.