The Journal of Organic Chemistry· 2015Q2
Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts
- 1,324citations
- Q2SCImago
- 2015year
Short summary
A new DP4+ probability method, incorporating unscaled NMR data and higher-level quantum chemical calculations, significantly improves stereochemical assignment accuracy for challenging isomeric compounds.
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SpectroscopyChemistry