13 C GIAO DFT calculation as a tool for configuration prediction of N-O group in saturated heterocyclic N -oxides-Reference-Cited by-同舟云学术

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

Published:2012-04-27 Issue:6 Volume:50 Page:415-423
ISSN:0749-1581
Container-title:Magnetic Resonance in Chemistry
language:en
Short-container-title:Magn. Reson. Chem.

Author:

Pohl Radek¹,Potmischil Francisc²,Dračínský Martin¹,Vaněk Václav¹,Slavětínská Lenka¹,Buděšínský Miloš¹

Affiliation:

1. Institute of Organic Chemistry and Biochemistry; Academy of Science of the Czech Republic; Flemingovo nám. 2 CZ-166 10 Prague 6 Czech Republic

2. Department of Organic Chemistry, Biochemistry and Catalysis; University of Bucharest; Bulev. Regina Elisabeta 4-12 RO-030018 Bucharest-1 Romania

Funder

Czech Science Foundation

Publisher

Wiley

Subject

General Materials Science,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/mrc.3810/fullpdf

Reference43 articles.

1. Vicinal Proton Coupling in Nuclear Magnetic Resonance

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

3. Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods

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

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