Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability
Author:
Affiliation:
1. Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja105035r
Reference116 articles.
1. Structure Validation of Natural Products by Quantum-Mechanical GIAO Calculations of 13C NMR Chemical Shifts GIAO=gauge including atomic orbitals.
2. Determination of the Relative Stereochemistry of Flexible Organic Compounds by Ab Initio Methods: Conformational Analysis and Boltzmann-Averaged GIAO 13C NMR Chemical Shifts GIAO=gauge including atomic orbitals.
3. Predicting NMR Spectra by Computational Methods: Structure Revision of Hexacyclinol
4. Can Two Molecules Have the Same NMR Spectrum? Hexacyclinol Revisited
5. On the Structure of Maitotoxin
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