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Journal Abstract Search

339 related items for PubMed ID: 17566131

  • 1.
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  • 2. Quantum mechanical calculations of conformationally relevant 1H and 13C NMR chemical shifts of calixarene systems.
    Bifulco G, Gomez-Paloma L, Riccio R, Gaeta C, Troisi F, Neri P.
    Org Lett; 2005 Dec 22; 7(26):5757-60. PubMed ID: 16354059
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  • 3. A combined experimental and theoretical study on the conformational behavior of a calix[6]arene.
    Boulet B, Joubert L, Cote G, Bouvier-Capely C, Cossonnet C, Adamo C.
    J Phys Chem A; 2006 May 04; 110(17):5782-91. PubMed ID: 16640372
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  • 5. Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations.
    Atalay Y, Başoğlu A, Avci D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb 04; 69(2):460-6. PubMed ID: 17540615
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  • 8. Synthesis and GIAO NMR calculations for some new 4,5-dihydro-1H-1,2,4-triazol-5-one derivatives: comparison of theoretical and experimental 1H and 13C chemical shifts.
    Yüksek H, Gürsoy O, Cakmak I, Alkan M.
    Magn Reson Chem; 2005 Jul 04; 43(7):585-7. PubMed ID: 15880480
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  • 11. Molecular structure and vibrational and chemical shift assignments of 3-(2-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-(4H)-thione by DFT and ab initio HF calculations.
    Avci D, Atalay Y, Sekerci M, Dinçer M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul 04; 73(1):212-7. PubMed ID: 19264542
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  • 13. Quantum chemical and nuclear magnetic resonance spectral studies on molecular properties and electronic structure of berberine and berberrubine.
    Tripathi AN, Chauhan L, Thankachan PP, Barthwal R.
    Magn Reson Chem; 2007 Aug 04; 45(8):647-55. PubMed ID: 17559166
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  • 14. The application of empirical methods of (13)C NMR chemical shift prediction as a filter for determining possible relative stereochemistry.
    Elyashberg ME, Blinov KA, Williams AJ.
    Magn Reson Chem; 2009 Apr 04; 47(4):333-41. PubMed ID: 19206140
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  • 15. Torsion angle relationship of the (17)O NMR chemical shift in alpha,beta-unsaturated carbonyl compounds.
    Mocci F.
    Magn Reson Chem; 2009 Oct 04; 47(10):862-7. PubMed ID: 19630036
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  • 16. Theoretical and experimental NMR study of protopine hydrochloride isomers.
    Tousek J, Malináková K, Dostál J, Marek R.
    Magn Reson Chem; 2005 Jul 04; 43(7):578-81. PubMed ID: 15883981
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  • 17. New Karplus equations for 2JHH, 3JHH, 2JCH, 3JCH, 3JCOCH, 3JCSCH, and 3JCCCH in some aldohexopyranoside derivatives as determined using NMR spectroscopy and density functional theory calculations.
    Tafazzoli M, Ghiasi M.
    Carbohydr Res; 2007 Oct 15; 342(14):2086-96. PubMed ID: 17583685
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  • 18. Conformational studies of poly(9,9-dialkylfluorene)s in solution using NMR spectroscopy and density functional theory calculations.
    Justino LL, Ramos ML, Abreu PE, Carvalho RA, Sobral AJ, Scherf U, Burrows HD.
    J Phys Chem B; 2009 Sep 03; 113(35):11808-21. PubMed ID: 19663434
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  • 19. DFT and NMR parameterized conformation of valeranone.
    Torres-Valencia JM, Meléndez-Rodríguez M, Alvarez-García R, Cerda-García-Rojas CM, Joseph-Nathan P.
    Magn Reson Chem; 2004 Oct 03; 42(10):898-902. PubMed ID: 15366065
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  • 20. An NMR, IR and theoretical investigation of (1)H chemical shifts and hydrogen bonding in phenols.
    Abraham RJ, Mobli M.
    Magn Reson Chem; 2007 Oct 03; 45(10):865-77. PubMed ID: 17729232
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