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Can simple 'molecular' corrections outperform projector augmented-wave density functional theory in the prediction of 35 Cl electric field gradient tensor parameters for chlorine-containing crystalline systems?
Magn Reson Chem. 2024 Mar;62(3):156-168. doi: 10.1002/mrc.5408. Epub 2023 Nov 11.
Magn Reson Chem. 2024.
PMID: 37950622
METAbolomics data Balancing with Over-sampling Algorithms (META-BOA): an online resource for addressing class imbalance.
Hashimoto-Roth E, Surendra A, Lavallée-Adam M, Bennett SAL, Čuperlović-Culf M.
Hashimoto-Roth E, et al.
Bioinformatics. 2022 Nov 30;38(23):5326-5327. doi: 10.1093/bioinformatics/btac649.
Bioinformatics. 2022.
PMID: 36222566
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