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Journal Abstract Search

164 related items for PubMed ID: 21563802

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  • 2. 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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  • 7. Stereochemical dependence of NMR geminal spin-spin coupling constants.
    Contreras RH, Provasi PF, dos Santos FP, Tormena CF.
    Magn Reson Chem; 2009 Feb 02; 47(2):113-20. PubMed ID: 18991325
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  • 9. 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 02; 45(3):198-204. PubMed ID: 17183533
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  • 13. Variation of one-bond X-Y coupling constants 1J(X-Y) and the components of 1J(X-Y) with rotation about the X-Y bond for molecules HmX-YHn, with X, Y = 15N, 17O, 31P, 33S: the importance of nonbonding pairs of electrons.
    Del Bene JE, Elguero J.
    J Phys Chem A; 2007 Apr 05; 111(13):2517-26. PubMed ID: 17388336
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  • 18. Difference between ²JC2H3 and ²JC3H2 spin-spin couplings in heterocyclic five- and six-membered rings as a probe for studying σ-ring currents: a quantum chemical analysis.
    Contreras RH, dos Santos FP, Ducati LC, Tormena CF.
    Magn Reson Chem; 2010 Dec 05; 48 Suppl 1():S151-8. PubMed ID: 21104760
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  • 20. 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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