Calculation of DP4
the goodman group university of cambridge about us contact us interesting stuff people photos research tools publications Chemical Informatics Letters DP4 NMR assignment instructions step 1 step 2 step 3 step 4 applet source code Other NMR parameters: CP3 Assignment of stereochemistry and structure using NMR and DP4 How to use this applet 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 GenStats: GenStats © Goodman Group, 2005-2017; privacy; last updated September 20, 2017
