Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity" - Parr RG, Yang W (1984) J Am Chem Soc 106: 4049-4050
Pw. Ayers et M. Levy, Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity" - Parr RG, Yang W (1984) J Am Chem Soc 106: 4049-4050, THEOR CH AC, 103(3-4), 2000, pp. 353-360
The Fukui function, f((r) over right arrow), was proposed as a tool for ded
ucing 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 s
pecial emphasis on its logical motivation, interpretation. qualitative char
acteristics, and practical computation. We conclude with some words about t
he Fukui function's extensions, limitations, and importance.