Reactivity and charge transfer beyond the parabolic model: the
“|Δµ| big is good” principle.
Abstract
We discuss an extension of the venerable Parr-Pearson parabolic charge
transfer model that explicitly includes 3rd order effects. We then use
this new model to provide new arguments supporting the validity of Parr
and Yang’s “|Δµ| big is good” (DMB) principle.
Additionally, we show how to re-derive this principle from the
Parr-Pearson parabolic model, using simpler arguments than those
presented in our previous proof of the DMB rule.