Uca-fukui Software _verified_ Free Download Guide

Some users have shared the installation files on academic platforms like ResearchGate.

First, perform a geometry optimization of your molecule in Gaussian. For reliable Fukui functions, use a method/basis set that gives a good description of the electron density (e.g., B3LYP/6‑31G(d,p) or M06‑2X/def2‑TZVP). Save the final geometry.

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Parses output logs and text files directly from major quantum chemistry packages like Gaussian (e.g., Gaussian 03, 09, 16). uca-fukui software free download

For visual learners, a tutorial video on YouTube titled “How to calculate Fukui functions using Gaussian 09/G16” walks through the entire process using UCA‑FUKUI. Additionally, a LinkedIn tutorial from February 2025 provides a detailed step‑by‑step guide on using Gaussian 09W/16 together with UCA‑FUKUI, covering “the process of calculating and interpreting Fukui functions, which are essential for understanding chemical reactivity and electrophilic/nucleophilic behavior.”

Always verify the domain. The official page typically ends in .u-fukui.ac.jp or is linked from a recognized earthquake research institution.

UCA‑FUKUI is not just an academic exercise; it has real‑world applications across multiple fields of chemistry. Some users have shared the installation files on

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It provides visual maps of reactivity surfaces, allowing researchers to intuitively "see" where reactions will occur. Why Use UCA-Fukui?

If the atom indices in the UCA‑FUKUI output do not match your molecule’s atom numbering, check that you loaded the three Gaussian output files in the same order (neutral, cation, anion) and that all three files were generated from the identical geometry with the same atom numbering. Any reordering of atoms in the input file will cause mismatches. Save the final geometry

: It calculates global parameters such as hardness, softness, and philicity, as well as local condensed Fukui functions.

electrons). Ensure you keep the molecular geometry identical across all three states.