13C GIAO DFT calculation as a tool for configuration prediction of N-O group in saturated heterocyclic N-oxides

The observed and calculated 1H and 13C chemical shifts of tertiary amines and their N-oxides

(2011) Radek Pohl et al.   MAGNETIC RESONANCE IN CHEMISTRY

The determination of sulfoxide configuration in six-membered rings using NMR spectroscopy and DFT calculations

(2011) M. Dračínský et al.   TETRAHEDRON-ASYMMETRY

Assigning Stereochemistry to Single Diastereoisomers by GIAO NMR Calculation: The DP4 Probability

(2010) Steven G. Smith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones

(2010) Martin Dračínský et al.   MAGNETIC RESONANCE IN CHEMISTRY

On the Treatment of Conformational Flexibility when Using Residual Dipolar Couplings for Structure Determination

(2009) Christina M. Thiele et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Three New Alkaloids from the Leaves ofUncaria rhynchophylla

(2009) Bin Ma et al.   HELVETICA CHIMICA ACTA

Pressure-dependent 13C chemical shifts in proteins: origins and applications

(2009) David J. Wilton et al.   JOURNAL OF BIOMOLECULAR NMR

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging

(2009) Martin Dračínský et al.   JOURNAL OF CHEMICAL PHYSICS

Computational Analysis of Solvent Effects in NMR Spectroscopy

(2009) Martin Dračínský et al.   Journal of Chemical Theory and Computation

Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin−Spin Coupling

(2009) Martin Dračínský et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The synthesis of functionalised peptides using α-lithio quinuclidine N-oxide (Li-QNO)

(2009) Ian A. O’Neil et al.   TETRAHEDRON LETTERS