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mispr

Here are 2 public repositories matching this topic...

rashatwi / mispr-dataset

Materials property datasets using high-throughput DFT simulations

dft redox computational-chemistry nmr bde high-throughput-computing high-throughput-data-analysis mispr

Updated Aug 2, 2022

rashatwi / nmr-dataset

NMR dataset using DFT calculations with a mixed explicit/implicit solvation model

data dft molecular-dynamics nmr mispr

Updated Jan 13, 2022

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