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Journal Abstract Search

148 related items for PubMed ID: 21280628

  • 21. One-bond 29Si-1H spin-spin coupling constants in the series of halosilanes: benchmark SOPPA and DFT calculations, relativistic effects, and vibrational corrections.
    Rusakov YY, Krivdin LB.
    Magn Reson Chem; 2013 Sep; 51(9):557-61. PubMed ID: 23836682
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  • 22. Experimental and theoretical study of hyperconjugative interaction effects on NMR 1J(CH) scalar couplings.
    Contreras RH, Esteban AL, Díez E, Della EW, Lochert IJ, Dos Santos FP, Tormena CF.
    J Phys Chem A; 2006 Mar 30; 110(12):4266-75. PubMed ID: 16553380
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  • 23. Interpretation of indirect nuclear spin-spin couplings in isomers of adenine: novel approach to analyze coupling electron deformation density using localized molecular orbitals.
    Marek R, Krístková A, Malináková K, Tousek J, Marek J, Hocek M, Malkina OL, Malkin VG.
    J Phys Chem A; 2010 Jun 24; 114(24):6689-700. PubMed ID: 20518482
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  • 24. A systematic comparison of second-order polarization propagator approximation and equation-of-motion coupled cluster singles and doubles C-C, C-N, N-N, C-H, and N-H spin-spin coupling constants.
    Del Bene JE, Alkorta I, Elguero J.
    J Phys Chem A; 2009 Nov 12; 113(45):12411-20. PubMed ID: 19462958
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  • 26. Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.
    García de la Vega JM, Omar S, San Fabián J.
    J Mol Model; 2017 Apr 12; 23(4):134. PubMed ID: 28341995
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  • 28. NMR spin-spin couplings involving nuclei in the neighborhood of a carbonyl group. 3JCH couplings in alpha-substituted acetamides.
    Pedersoli S, Dos Santos FP, Rittner R, Contreras RH, Tormena CF.
    Magn Reson Chem; 2008 Mar 12; 46(3):202-5. PubMed ID: 18181244
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  • 29. Structural trends of 77Se-1H spin-spin coupling constants and conformational behavior of 2-substituted selenophenes.
    Rusakov YY, Krivdin LB, Sauer SP, Levanova EP, Levkovskaya GG.
    Magn Reson Chem; 2010 Jan 12; 48(1):44-52. PubMed ID: 19877126
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  • 32. Electric field effects on one-bond indirect spin-spin coupling constants and possible biomolecular perspectives.
    Sahakyan AB, Shahkhatuni AG, Shahkhatuni AA, Panosyan HA.
    J Phys Chem A; 2008 Apr 24; 112(16):3576-86. PubMed ID: 18363392
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  • 34. Elucidation of the electronic structure of molecules with the help of NMR spin-spin coupling constants: the FH molecule.
    Gräfenstein J, Tuttle T, Cremer D.
    J Phys Chem A; 2005 Mar 17; 109(10):2325-39. PubMed ID: 16839003
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  • 37. An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides.
    Willans MJ, Demko BA, Wasylishen RE.
    Phys Chem Chem Phys; 2006 Jun 21; 8(23):2733-43. PubMed ID: 16763706
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  • 39. Decomposition of nuclear magnetic resonance spin-spin coupling constants into active and passive orbital contributions.
    Gräfenstein J, Tuttle T, Cremer D.
    J Chem Phys; 2004 Jun 01; 120(21):9952-68. PubMed ID: 15268014
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