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760 related items for PubMed ID: 16759141

  • 1. 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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  • 6. Complexes with N-H(+)-P hydrogen bonds: structures, binding energies, and spin-spin coupling constants.
    Del Bene JE.
    J Phys Chem A; 2007 Jun 28; 111(25):5509-14. PubMed ID: 17539616
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  • 8. 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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  • 14. 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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  • 18. Different types of hydrogen bonds in 2-substituted pyrroles and 1-vinyl pyrroles as monitored by (1)H, (13)C and (15)N NMR spectroscopy and ab initio calculations.
    Afonin AV, Ushakov IA, Sobenina LN, Stepanova ZV, Petrova OV, Trofimov BA.
    Magn Reson Chem; 2006 Jan 22; 44(1):59-65. PubMed ID: 16259054
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  • 19. Ab initio study of ternary complexes A...NCH...C with A,C = HCN, HF, HCl, ClF, and LiH: energetics and spin-spin coupling constants across intermolecular bonds.
    Del Bene JE, Alkorta I, Elguero J.
    J Phys Chem A; 2010 Aug 19; 114(32):8463-73. PubMed ID: 20701355
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  • 20. 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 19; 47(3):249-56. PubMed ID: 19097158
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