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296 related items for PubMed ID: 16839003

  • 1. 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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  • 6. Investigation of the NMR spin-spin coupling constants across the hydrogen bonds in ubiquitin: the nature of the hydrogen bond as reflected by the coupling mechanism.
    Tuttle T, Kraka E, Wu A, Cremer D.
    J Am Chem Soc; 2004 Apr 28; 126(16):5093-107. PubMed ID: 15099092
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  • 8. (19)F-(19)F and (19)F-(1)H spin-spin coupling constants in cyclic FH polymers (FH)(n), n=2-6.
    Del Bene JE, Elguero J.
    Solid State Nucl Magn Reson; 2008 Apr 28; 34(1-2):86-92. PubMed ID: 17996427
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  • 9. 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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  • 10. Probing (1)J(C-F) and (n)J(F-F) spin-spin coupling constants for fluoroazines: an ab initio theoretical investigation.
    Del Bene JE, Alkorta I, Elguero J.
    J Phys Chem A; 2010 Feb 25; 114(7):2637-43. PubMed ID: 20112975
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  • 12. Unusual long-range spin-spin coupling in fluorinated polyenes: a mechanistic analysis.
    Gräfenstein J, Cremer D.
    J Chem Phys; 2007 Nov 07; 127(17):174704. PubMed ID: 17994839
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  • 14. Characterizing hydrogen bonding and proton transfer in 2:1 FH:NH3 and FH:collidine complexes through one- and two-bond spin-spin coupling constants across hydrogen bonds.
    Del Bene JE, Elguero J.
    J Phys Chem A; 2005 Dec 01; 109(47):10759-69. PubMed ID: 16863125
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  • 15. 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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  • 19. Modeling of heavy-atom-ligand NMR spin-spin coupling in solution: molecular dynamics study and natural bond orbital analysis of Hg-C coupling constants.
    Zheng S, Autschbach J.
    Chemistry; 2011 Jan 03; 17(1):161-73. PubMed ID: 21207613
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  • 20. Approximating correlation effects in multiconfigurational self-consistent field calculations of spin-spin coupling constants.
    San Fabián J, Díez E, García de la Vega JM, Suardíaz R.
    J Chem Phys; 2008 Feb 28; 128(8):084108. PubMed ID: 18315034
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