Reactivity and Charge Transfer Beyond the Parabolic Model: the “|Δμ| Big is Good” Principle

AbstractWe 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.

Reactivity and Charge Transfer Beyond the Parabolic Model: the “|Δμ| Big is Good” Principle Journal Articles