DFT calculations do not explain enantiospecific NMR responses in cross polarization

Anton F. Ketzel, Caspar J. Schattenberg, Veniamin Chevelkov, Adam Lange and Han Sun ()
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Anton F. Ketzel: Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP), Research Unit Structural Chemistry & Computational Biophysics
Caspar J. Schattenberg: Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP), Research Unit Structural Chemistry & Computational Biophysics
Veniamin Chevelkov: Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP), Research Unit Molecular Biophysics
Adam Lange: Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP), Research Unit Molecular Biophysics
Han Sun: Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP), Research Unit Structural Chemistry & Computational Biophysics

Nature Communications, 2025, vol. 16, issue 1, 1-4

Date: 2025
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DOI: 10.1038/s41467-025-66246-1

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