Software Free Download | Uca-fukui

The UCA-Fukui software is a computational tool designed to calculate the Fukui function, which is a measure of the reactivity of a molecule. The software uses density functional theory (DFT) to calculate the electronic structure of a molecule and then uses this information to compute the Fukui function. The Fukui function is a useful tool for predicting the reactivity of a molecule, as it provides information on the most reactive sites in a molecule.