Computational data (frequencies calculations) of the nitroxides

<p>Data associated with <a href="https://doi.org/10.1016/j.molliq.2024.126207">https://doi.org/10.1016/j.molliq.2024.126207</a>.</p> <p>This dataset contains the Gaussian checkpoint files (this is a formatted text format, described at <a href="https://gaussian.com/interfacing/">https://gaussian.com/interfacing/</a>) corresponding to the frequency calculations performed on each structure (in both solvents and for each complexation state). Check out README.md for detailed data organisation.</p>