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   Assignment of stereochemistry and structure using NMR and DP4

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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

Toward the stereochemical assignment and synthesis of hemicalide: DP4f GIAO-NMR analysis and synthesis of a reassigned C16-C28 subunit C. I. MacGregor, B. Y. Han, J. M. Goodman and I. Paterson Chem. Commun. 2016, 52, 4632-4635. DOI: 10.1039/c6cc01074a

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
GitHub: KristapsE/PyDP4


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