Computational data (frequencies calculations) of the nitroxides
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资源简介：
This dataset contains the Gaussian checkpoint files (this is a formatted text format, described at https://gaussian.com/interfacing/) corresponding to the frequency calculations performed on each of the most stable structures (in both solvents and for each complexation state). Check out README for the details on data organisation.
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Zenodo创建时间：
2024-07-16
