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Journal Abstract Search

337 related items for PubMed ID: 14745813

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  • 2. A computationally feasible quantum chemical model for 13C NMR chemical shifts of PCB-derived carboxylic acids.
    Kolehmainen E, Tuppurainen K, Lanina SA, Sievänen E, Laihia K, Boyarskiy VP, Nikiforov VA, Zhesko TE.
    Chemosphere; 2006 Jan; 62(3):368-74. PubMed ID: 15992857
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  • 4. 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; 43(7):585-7. PubMed ID: 15880480
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  • 8. 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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  • 11. Theoretical and experimental NMR study of protopine hydrochloride isomers.
    Tousek J, Malináková K, Dostál J, Marek R.
    Magn Reson Chem; 2005 Jul; 43(7):578-81. PubMed ID: 15883981
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  • 12. Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure.
    Esrafili MD, Elmi F, Hadipour NL.
    J Phys Chem A; 2007 Feb 08; 111(5):963-70. PubMed ID: 17266238
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  • 19. Intramolecular hydrogen-bonding interactions in 2-nitrosophenol and nitrosonaphthols: ab initio, density functional, and nuclear magnetic resonance theoretical study.
    Shchavlev AE, Pankratov AN, Enchev V.
    J Phys Chem A; 2007 Aug 02; 111(30):7112-23. PubMed ID: 17616175
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