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272 related items for PubMed ID: 19097158

  • 1. A theoretical structural analysis of the factors that affect (1)J(NH), (1h)J(NH) and (2h)J(NN) in N-H...N hydrogen-bonded complexes.
    Alkorta I, Blanco F, Elguero J.
    Magn Reson Chem; 2009 Mar; 47(3):249-56. PubMed ID: 19097158
    [Abstract] [Full Text] [Related]

  • 2. Systematic ab initio study of 15N-15N and 15N-1H spin-spin coupling constants across N-H+-N hydrogen bonds: predicting N-N and N-H coupling constants and relating them to hydrogen bond type.
    Del Bene JE, Elguero J.
    J Phys Chem A; 2006 Jun 15; 110(23):7496-502. PubMed ID: 16759141
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  • 3. 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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  • 4. Ab initio study of the influence of trimer formation on one- and two-bond spin-spin coupling constants across an X-H-Y hydrogen bond: AH:XH:YH3 complexes for A, X = 19F, 35Cl and Y = 15N, 31P.
    Del Bene JE, Elguero J, Alkorta I, Mó O, Yañez M.
    J Phys Chem A; 2005 Mar 17; 109(10):2350-5. PubMed ID: 16839005
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  • 5. Spin-spin coupling across intramolecular N-H(+)-N hydrogen bonds in models for proton sponges: an ab initio investigation.
    Del Bene JE, Alkorta I, Elguero J.
    Magn Reson Chem; 2008 May 17; 46(5):457-63. PubMed ID: 18297741
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  • 6. Ab initio study of complexes with two cations as N-H donors to F-: structures and spin-spin coupling constants across N-H-F hydrogen bonds.
    Del Bene JE, Elguero J.
    J Phys Chem A; 2005 Dec 01; 109(47):10753-8. PubMed ID: 16863124
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  • 11. Probing P-H+-P hydrogen bonds: structures, binding energies, and spin-spin coupling constants.
    Del Bene JE, Elguero J, Alkorta I.
    J Phys Chem A; 2007 May 03; 111(17):3416-22. PubMed ID: 17425291
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  • 13. CLOPPA-IPPP analysis of electronic mechanisms of intermolecular (1h)J(A,H) and (2h)J(A,D) spin-spin coupling constants in systems with D-H...A hydrogen bonds.
    Giribet CG, Ruiz de Azúa MC.
    J Phys Chem A; 2005 Dec 29; 109(51):11980-8. PubMed ID: 16366652
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  • 15. Ab initio EOM-CCSD investigation of one-bond C-C, N-C, and N-N spin-spin coupling constants in fluoroazines.
    Del Bene JE, Alkorta I, Elguero J.
    J Phys Chem A; 2010 Apr 22; 114(15):5205-10. PubMed ID: 20353184
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  • 16. Comparative analysis of hydrogen bonding with participation of the nitrogen, oxygen and sulfur atoms in the 2(2'-heteroaryl)pyrroles and their trifluoroacetyl derivatives based on the 1H, 13C, 15N spectroscopy and DFT calculations.
    Afonin AV, Vashchenko AV, Ushakov IA, Zorina NV, Schmidt EY.
    Magn Reson Chem; 2008 May 22; 46(5):441-7. PubMed ID: 18318452
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  • 17. (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 May 22; 34(1-2):86-92. PubMed ID: 17996427
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  • 18. Ab initio study of ternary complexes X:(HCNH)(+):Z with X, Z = NCH, CNH, FH, ClH, and FCl: diminutive cooperative effects on structures, binding energies, and spin-spin coupling constants across hydrogen bonds.
    Del Bene JE, Alkorta I, Elguero J.
    J Phys Chem A; 2011 Nov 17; 115(45):12677-87. PubMed ID: 21639084
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  • 19. Characterizing complexes with F-Li...N, H-Li...N, and CH3Li...N lithium bonds: structures, binding energies, and spin-spin coupling constants.
    Del Bene JE, Alkorta I, Elguero J.
    J Phys Chem A; 2009 Sep 24; 113(38):10327-34. PubMed ID: 19719080
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  • 20. Scalar coupling between the 15N centres in methylated 1,8-diaminonaphthalenes and 1,6-diazacyclodecane: to what extent is 2HJNN a reliable indicator of N-N distance?
    Lloyd-Jones GC, Harvey JN, Hodgson P, Murray M, Woodward RL.
    Chemistry; 2003 Sep 22; 9(18):4523-35. PubMed ID: 14502638
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