On the analysis of the Fukui function

Abstract

In this chapter we review the fundamentals and some applications of the Fukui Function. This was defined almost 40 years ago by Robert Parr in a fantastic example of how density-functional-theory provides a formal framework for chemical reactivity concepts. The Fukui function is a generalization of Fukui's work on the regions of a molecule that are most likely to transfer electrons, and therefore most reactive.