Three-center Harary index and its applications
Boris Furtula, İvan Gutman, Vladimir Katanić · Iranian journal of mathemathical chemistry./Iranian journal of mathemathical chemistry · 2016
The Harary index H can be viewed as a molecular structure descriptor composed of increments representing interactions between pairs of atoms, such that their magnitude decreases with the increasing distance between the respective two atoms. A generalization of the Harary index, denoted by Hk, is achieved by employing the Steiner- type distance between k-tuples of atoms. We show that the linear combination H + H3 is significantly better correlated with a variety of physico-chemical properties of alkanes than H itself.