Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity”

Abstract. The Fukui function, f(→), was proposed as a tool for deducing the relative reactivity of different positions in a molecule by Parr and Yang in 1984. Herein we sketch the theory of the Fukui function, with special emphasis on its logical motivation, interpretation, qualitative characteristics, and practical computation. We conclude with some words about the Fukui function's extensions, limitations, and importance.