Uca-fukui Software Link Free Download Jun 2026

Most software coming out of Fukui University is proprietary or restricted to academic research. Students, faculty, and research partners can usually download the software for free directly through the university’s internal portal or by contacting the primary laboratory investigators. 2. Institutional Evaluation Versions

The software takes output files from quantum chemistry calculations—most commonly Gaussian 09 or Gaussian 16—and automatically computes a complete set of reactivity indices. By processing a neutral molecule and its corresponding anionic and cationic states, UCA-FUKUI applies the finite‑difference approximation to generate Fukui functions and other descriptors that help chemists identify sites susceptible to electrophilic, nucleophilic, or radical attack. uca-fukui software free download

Less than 100 MB for the core installation, though additional space is required for large molecular orbital files. Basic Installation Steps: Most software coming out of Fukui University is

UCA-FUKUI implements both the and the frontier molecular orbital (FMO) method for calculating Fukui functions. The finite difference approach requires three single‑point calculations (neutral, cation, anion), while the FMO method uses only the frontier orbital densities from a single calculation on the neutral molecule. The software allows you to perform both approaches and compare the results, giving you confidence in the final assignment of reactive sites. The original paper notes that there is “a high correlation between global parameters, but a weaker correlation between local parameters,” highlighting the importance of having both methods available for cross‑validation. Basic Installation Steps: UCA-FUKUI implements both the and