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Journal Abstract Search

127 related items for PubMed ID: 22539412

  • 1. 13C GIAO DFT calculation as a tool for configuration prediction of N-O group in saturated heterocyclic N-oxides.
    Pohl R, Potmischil F, Dračínský M, Vaněk V, Slavětínská L, Buděšínský M.
    Magn Reson Chem; 2012 Jun; 50(6):415-23. PubMed ID: 22539412
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  • 2. The observed and calculated 1H and 13C chemical shifts of tertiary amines and their N-oxides.
    Pohl R, Dračínský M, Slavětínská L, Buděšínský M.
    Magn Reson Chem; 2011 Jun; 49(6):320-7. PubMed ID: 21452346
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  • 3. Complete 1H, 13C and 15N NMR assignment of tirapazamine and related 1,2,4-benzotriazine N-oxides.
    Boyd M, Hay MP, Boyd PD.
    Magn Reson Chem; 2006 Oct; 44(10):948-54. PubMed ID: 16900565
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  • 6. DFT-GIAO 1H and 13C NMR prediction of chemical shifts for the configurational assignment of 6beta-hydroxyhyoscyamine diastereoisomers.
    Muñoz MA, Joseph-Nathan P.
    Magn Reson Chem; 2009 Jul; 47(7):578-84. PubMed ID: 19373852
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  • 7. Saturated amine oxides: part 10. hydroacridines: part 32. linear ¹⁷O/¹³C and ¹³C/¹³C chemical shift correlations between saturated azaheterocyclic N-methylamine N-oxides, and the methiodides of their parent amines.
    Potmischil F.
    Magn Reson Chem; 2015 Oct; 53(10):845-8. PubMed ID: 26290175
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  • 10. Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones.
    Dracínský M, Pohl R, Slavetínská L, Budesínský M.
    Magn Reson Chem; 2010 Sep; 48(9):718-26. PubMed ID: 20661941
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  • 18. Structural elucidation of nitro-substituted five-membered aromatic heterocycles utilizing GIAO DFT calculations.
    Katritzky AR, Akhmedov NG, Doskocz J, Hall CD, Akhmedova RG, Majumder S.
    Magn Reson Chem; 2007 Jan; 45(1):5-23. PubMed ID: 17042032
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  • 19. Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.
    Asiri AM, Karabacak M, Kurt M, Alamry KA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):444-55. PubMed ID: 21856218
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  • 20. Pyridazine-based Schiff base ligands with N4OxS2 (x=2, 4) donor set atoms: synthesis, characterization, spectral studies and 13C chemical shifts computed by the GIAO-DFT and CSGT-DFT methodologies.
    Khanmohammadi H, Erfantalab M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jan; 75(1):127-33. PubMed ID: 19892590
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