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639 related items for PubMed ID: 20623827

  • 1. Study of conformations and hydrogen bonds in the configurational isomers of pyrrole-2-carbaldehyde oxime by 1H, 13C and 15N NMR spectroscopy combined with MP2 and DFT calculations and NBO analysis.
    Afonin AV, Ushakov IA, Pavlov DV, Ivanov AV, Mikhaleva AI.
    Magn Reson Chem; 2010 Sep; 48(9):685-92. PubMed ID: 20623827
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  • 2. C-H...N and C-H...O intramolecular hydrogen bonding effects in the 1H, 13C and 15N NMR spectra of the configurational isomers of 1-vinylpyrrole-2-carbaldehyde oxime substantiated by DFT calculations.
    Afonin AV, Ushakov IA, Vashchenko AV, Simonenko DE, Ivanov AV, Vasil'tsov AM, Mikhaleva AI, Trofimov BA.
    Magn Reson Chem; 2009 Feb; 47(2):105-12. PubMed ID: 19006103
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  • 3. Bifurcated hydrogen-bonding effect on the shielding and coupling constants in trifluoroacetyl pyrroles as studied by 1H, 13C and 15N NMR spectroscopy and DFT calculations.
    Afonin AV, Ushakov IA, Mikhaleva AI, Trofimov BA.
    Magn Reson Chem; 2007 Mar; 45(3):220-30. PubMed ID: 17221917
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  • 6. Pronounced stereospecificity of (1)H, (13)C, (15)N and (77)Se shielding constants in the selenophenyl oximes as shown by NMR spectroscopy and GIAO calculations.
    Afonin AV, Pavlov DV, Ushakov IA, Schmidt EY, Mikhaleva AI.
    Magn Reson Chem; 2009 Oct; 47(10):879-84. PubMed ID: 19582802
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  • 8. Comparative analysis of hydrogen bonding with participation of the nitrogen, oxygen and sulfur atoms in the 2(2'-heteroaryl)pyrroles and their trifluoroacetyl derivatives based on the 1H, 13C, 15N spectroscopy and DFT calculations.
    Afonin AV, Vashchenko AV, Ushakov IA, Zorina NV, Schmidt EY.
    Magn Reson Chem; 2008 May; 46(5):441-7. PubMed ID: 18318452
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  • 9. Theoretical study of bifurcated hydrogen bonding effects on the 1J(N,H), 1hJ(N,H), 2hJ(N,N) couplings and 1H, 15N shieldings in model pyrroles.
    Afonin AV, Vashchenko AV.
    Magn Reson Chem; 2010 Apr; 48(4):309-17. PubMed ID: 20198609
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  • 10. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
    Mohamed MN, Watts HD, Guo J, Catchmark JM, Kubicki JD.
    Carbohydr Res; 2010 Aug 16; 345(12):1741-51. PubMed ID: 20580346
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  • 11. Stereospecificity of (1) H, (13) C and (15) N shielding constants in the isomers of methylglyoxal bisdimethylhydrazone: problem with configurational assignment based on (1) H chemical shifts.
    Afonin AV, Pavlov DV, Ushakov IA, Keiko NA.
    Magn Reson Chem; 2012 Jul 16; 50(7):502-10. PubMed ID: 22615146
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  • 12. Configurational assignment of carbon, silicon and germanium containing propynal oximes by means of 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants.
    Chernyshev KA, Krivdin LB, Larina LI, Konkova TV, Demina MM, Medvedeva AS.
    Magn Reson Chem; 2007 Aug 16; 45(8):661-6. PubMed ID: 17559158
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  • 18. Solvatochromic analysis of some N-nitroso oxime derivatives--Taft and Catalan approach.
    Jayabharathi J, Thanikachalam V, Padmavathy M, Perumal MV.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct 15; 81(1):363-71. PubMed ID: 21752700
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  • 20. Observation of O-H...N scalar coupling across a hydrogen bond in nocathiacin I.
    Huang XS, Liu X, Constantine KL, Leet JE, Roongta V.
    Magn Reson Chem; 2007 Jun 15; 45(6):447-50. PubMed ID: 17431856
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