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AutoNMR-An-Automated-Tool-for-NMR-Chemical-Shift-Calculations-using-NWChem
AutoNMR-An-Automated-Tool-for-NMR-Chemical-Shift-Calculations-using-NWChem PublicAutoNMR is a novel Python package designed to streamline and automate the workflow of NMR chemical shift calculations using NWChem.
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