the goodman group
university of cambridge  

   Assignment of stereochemistry and structure using CP3 and DP4





Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation
S. G. Smith and J. M. Goodman J. Org. Chem. 2009, 74, 4597-4607.
DOI: 10.1021/jo900408d

Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability
S. G. Smith and J. M. Goodman J. Am. Chem. Soc. 2010, 132, 12946-12959.
DOI: 10.1021/ja105035r

Expanding DP4: Application to drug compounds and automation
K. Ermanis, K. E. B. Parkes, T. Agback and J. M. Goodman Org. Biomol. Chem. 2016, 14, 3943-3949.
DOI: 10.1039/C6OB00015K

CHESHIRE, the Chemical Shift Repository for Computed NMR Scaling Factors (Tantillo Group)

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