the goodman group
university of cambridge  

   CP3 calculation: step 3

Calculation of CP3 and assignment of structures

The program calculates which calculated spectrum is most likely to correspond to each experimental spectrum and gives a measure of its confidence in its conclusion.
Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation
S. G. Smith and J. M. Goodman J. Org. Chem. 2009, asap
DOI: 10.1021/jo900408d

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department of chemistry University of Cambridge