The symmetry-moderated Wiener index of truncation graph, thorn graph and caterpillars (Q2328091)

The Wiener index was attributed to Harold Wiener. In 1947, he announced that there is a correlation between the boiling point of paraffin and the structure of the molecules. He said that the boiling point \(t_B\) is: \(t_B = aw + bp + c\), where \(w\) is the Wiener index, \(p\) the polarity number and \(a\), \(b\) and \(c\) are constants for a given isomeric group. It is an often used topological index in chemistry, as molecules are modelled as undirected graphs, in particular trees. There are many instances in communication, facility location, cryptology, architecture etc. where the Wiener index of the corresponding graph or the average distance is of great interest. In this paper, the authors give an exact formula for the symmetry-moderated Wiener index for truncation of trees and more specifically of caterpillars. Interestingly, they investigate the symmetry-moderated Wiener index of some classes of hydrocarbons and their truncation and thorn graph. Alkanes are simple organic chain compounds of hydrocarbons which contain only carbon and hydrogen. They compute the symmetry-moderated Wiener index of some simple alkanes with their boiling points. The boiling points could yield pertinent information about chemico-physical properties of organic compounds and their structural characteristics. They further note a linear relationship between the 9-th root of the symmetry-moderated Wiener index of linear alkanes to the boiling point.