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226 related items for PubMed ID: 19229891

  • 1. Benzylic coupling constants in toluene derivatives by J doubling in the frequency domain and DFT calculations.
    Pérez-Hernández N, Alvarez-Cisneros C, Cerda-García-Rojas CM, Morales-Ríos MS, Joseph-Nathan P.
    Magn Reson Chem; 2009 May; 47(5):437-42. PubMed ID: 19229891
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  • 2. The calculation of indirect nuclear spin-spin coupling constants in large molecules.
    Watson MA, Sałek P, Macak P, Jaszuński M, Helgaker T.
    Chemistry; 2004 Sep 20; 10(18):4627-39. PubMed ID: 15378642
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  • 3. 1-Cyclohepta-2,4,6-trienyl-selanes--a 77Se NMR study: indirect nuclear 77Se--13C spin-spin coupling constants and application of density functional theory (DFT) calculations.
    Wrackmeyer B, Hernández ZG, Herberhold M.
    Magn Reson Chem; 2007 Mar 20; 45(3):198-204. PubMed ID: 17183533
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  • 4. 1H and 13C NMR chemical shifts and spin-spin coupling constants in trans- and cis-decalins.
    Dodziuk H, Jaszuński M, Schilf W.
    Magn Reson Chem; 2005 Aug 20; 43(8):639-46. PubMed ID: 15915544
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  • 6. Calculation and analysis of NMR spin-spin coupling constants.
    Cremer D, Gräfenstein J.
    Phys Chem Chem Phys; 2007 Jun 14; 9(22):2791-816. PubMed ID: 17538726
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  • 9. Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactions.
    Raju RK, Ramraj A, Vincent MA, Hillier IH, Burton NA.
    Phys Chem Chem Phys; 2008 Nov 21; 10(43):6500-8. PubMed ID: 18979035
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  • 14. Broken-symmetry density functional theory investigation on bis-nitronyl nitroxide diradicals: influence of length and aromaticity of couplers.
    Ali ME, Datta SN.
    J Phys Chem A; 2006 Mar 02; 110(8):2776-84. PubMed ID: 16494389
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  • 15. NMR chemical shielding and spin-spin coupling constants of liquid NH3: a systematic investigation using the sequential QM/MM method.
    Gester RM, Georg HC, Canuto S, Caputo MC, Provasi PF.
    J Phys Chem A; 2009 Dec 31; 113(52):14936-42. PubMed ID: 19746949
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