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174 related items for PubMed ID: 15366049

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  • 3. 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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  • 6. 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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  • 7. Analysis of long-range NMR spin-spin coupling in polyenes and the pi-mechanism.
    Gräfenstein J, Tuttle T, Cremer D.
    Phys Chem Chem Phys; 2005 Feb 07; 7(3):452-62. PubMed ID: 19785129
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  • 8. Analysis of the electronic origin of the 1JCH spin-spin coupling trend in 1-X-cyclopropanes: experimental and DFT study.
    Cunha Neto A, dos Santos FP, Contreras RH, Rittner R, Tormena CF.
    J Phys Chem A; 2008 Nov 20; 112(46):11956-9. PubMed ID: 18950144
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  • 10. Stereochemical dependence of NMR geminal spin-spin coupling constants.
    Contreras RH, Provasi PF, dos Santos FP, Tormena CF.
    Magn Reson Chem; 2009 Feb 20; 47(2):113-20. PubMed ID: 18991325
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  • 11. Analysis of electron correlation effects and contributions of NMR J-couplings from occupied localized molecular orbitals.
    Zarycz N, Aucar GA.
    J Phys Chem A; 2012 Feb 02; 116(4):1272-82. PubMed ID: 22217318
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  • 12. Density functional perturbational orbital theory of spin polarization in electronic systems. II. Transition metal dimer complexes.
    Seo DK.
    J Chem Phys; 2007 Nov 14; 127(18):184103. PubMed ID: 18020626
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  • 13. Analysis of isotope effects in NMR one-bond indirect nuclear spin-spin coupling constants in terms of localized molecular orbitals.
    Provasi PF, Sauer SP.
    Phys Chem Chem Phys; 2009 May 28; 11(20):3987-95. PubMed ID: 19440628
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  • 14. 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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  • 16. Analyzing molecular properties calculated with two-component relativistic methods using spin-free natural bond orbitals: NMR spin-spin coupling constants.
    Autschbach J.
    J Chem Phys; 2007 Sep 28; 127(12):124106. PubMed ID: 17902892
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  • 18. Spin-spin coupling constants transmitted through Ir-H...H-N dihydrogen bonds.
    Olejniczak M, Pecul M.
    Chemphyschem; 2009 Jun 02; 10(8):1247-59. PubMed ID: 19418508
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