three-center harary index and its applications

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+x h3 is significantly better correlated with a variety of physico-chemical properties of alkanes than h itself.