ghutchis / molecular-entropies

Data and analysis scripts for understanding molecular entropies, including conformer flexibility
MIT License
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molecular-entropies

Data and analysis scripts for understanding molecular entropies.

All scripts are located in notebook file. The preprocessed data can be found in data file. The raw data can be found in https://chemrxiv.org/articles/preprint/Understanding_Conformational_Entropy_in_Small_Molecules/12671027

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