Include the pop=NBO keyword to obtain natural atomic charges.
: Computes condensed Fukui functions for electrophilic, nucleophilic, and radical attacks ( f raised to the positive power f raised to the negative power f to the 0 power Data Processing : It works by importing output files from uca-fukui software free download
: Features a graphical user interface (GUI) to simplify data input and visualization of reactivity parameters. Installation Steps Include the pop=NBO keyword to obtain natural atomic charges
: Use Gaussian to generate neutral, anionic (N+1), and cationic (N-1) output files with the pop=NBO keyword. uca-fukui software free download