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1156 related items for PubMed ID: 19168275

  • 1. Investigation of intermolecular hydrogen bond interactions in crystalline L-cysteine by DFT calculations of the oxygen-17, nitrogen-14, and hydrogen-2 EFG tensors and AIM analysis.
    Nozad AG, Meftah S, Ghasemi MH, Kiyani RA, Aghazadeh M.
    Biophys Chem; 2009 Apr; 141(1):49-58. PubMed ID: 19168275
    [Abstract] [Full Text] [Related]

  • 2. A systematic study on hydrogen bond interactions in sulfabenzamide: DFT calculations of the N-14, O-17, and H-2 NQR parameters.
    Nozad AG, Najafi H, Meftah S, Aghazadeh M.
    Biophys Chem; 2009 Feb; 139(2-3):116-22. PubMed ID: 19028005
    [Abstract] [Full Text] [Related]

  • 3. Investigation of C-H...O=C and N-H...OC hydrogen-bonding interactions in crystalline thymine by DFT calculations of O-17, N-14 and H-2 NQR parameters.
    Mirzaei M, Hadipour NL, Ahmadi K.
    Biophys Chem; 2007 Feb; 125(2-3):411-5. PubMed ID: 17175092
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  • 5. A density functional study of (17)O, (14)N and (2)H electric field gradient tensors in the real crystalline structure of alpha-glycine.
    Behzadi H, Hadipour NL, Mirzaei M.
    Biophys Chem; 2007 Jan; 125(1):179-83. PubMed ID: 16914262
    [Abstract] [Full Text] [Related]

  • 6. Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure.
    Esrafili MD, Elmi F, Hadipour NL.
    J Phys Chem A; 2007 Feb 08; 111(5):963-70. PubMed ID: 17266238
    [Abstract] [Full Text] [Related]

  • 7. An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline structure: a density functional theory study.
    Mirzaei M, Hadipour NL.
    J Phys Chem A; 2006 Apr 13; 110(14):4833-8. PubMed ID: 16599452
    [Abstract] [Full Text] [Related]

  • 8. A computational NQR study on the hydrogen-bonded lattice of cytosine-5-acetic acid.
    Mirzaei M, Hadipour NL.
    J Comput Chem; 2008 Apr 15; 29(5):832-8. PubMed ID: 17926341
    [Abstract] [Full Text] [Related]

  • 9. Density functional calculations of oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors to study hydrogen bonding properties of peptide group (O=C-NH) in crystalline acetamide.
    Samadi Z, Mirzaei M, Hadipour NL, Abedini Khorami S.
    J Mol Graph Model; 2008 Feb 15; 26(6):977-81. PubMed ID: 17881270
    [Abstract] [Full Text] [Related]

  • 10. Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: sulfamerazine and sulfathiazole.
    Esrafili MD, Behzadi H, Beheshtian J, Hadipour NL.
    J Mol Graph Model; 2008 Oct 15; 27(3):326-31. PubMed ID: 18603459
    [Abstract] [Full Text] [Related]

  • 11. A systematic investigation of hydrogen-bonding effects on the 17O, 14N, and 2H nuclear quadrupole resonance parameters of anhydrous and monohydrated cytosine crystalline structures: a density functional theory study.
    Mirzaei M, Elmi F, Hadipour NL.
    J Phys Chem B; 2006 Jun 08; 110(22):10991-6. PubMed ID: 16771352
    [Abstract] [Full Text] [Related]

  • 12. Influence of N-H...O and C-H...O hydrogen bonds on the 17O NMR tensors in crystalline uracil: computational study.
    Ida R, De Clerk M, Wu G.
    J Phys Chem A; 2006 Jan 26; 110(3):1065-71. PubMed ID: 16420009
    [Abstract] [Full Text] [Related]

  • 13. A theoretical study of repeating sequence in HRP II: a combination of molecular dynamics simulations and (17)O quadrupole coupling tensors.
    Behzadi H, Esrafili MD, van der Spoel D, Hadipour NL, Parsafar G.
    Biophys Chem; 2008 Oct 26; 137(2-3):76-80. PubMed ID: 18708277
    [Abstract] [Full Text] [Related]

  • 14. A DFT study of the 67Zn, 14N and 2H electric field gradient tensors in Zinc(II)-4-MeIm complexes and extrapolation to superoxide dismutase.
    Javadian S, Araghi R.
    J Mol Graph Model; 2009 Jan 26; 27(5):620-7. PubMed ID: 19046908
    [Abstract] [Full Text] [Related]

  • 15. Theoretical 13C chemical shift, 14N, and 2H quadrupole coupling- constant studies of hydrogen bonding in L-alanylglycine dipeptide.
    Tafazzoli M, Amini SK.
    Magn Reson Chem; 2008 Apr 26; 46(4):370-6. PubMed ID: 18273875
    [Abstract] [Full Text] [Related]

  • 16. Density functional theory study of N-H...O, O-H...O and C-H...O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of N-acetyl-valine.
    Esrafili MD, Behzadi H, Hadipour NL.
    Biophys Chem; 2008 Mar 26; 133(1-3):11-8. PubMed ID: 18063292
    [Abstract] [Full Text] [Related]

  • 17. Magnetic resonance tensors in uracil: calculation of 13C, 15N, 17O NMR chemical shifts, 17O and 14N electric field gradients and measurement of 13C and 15N chemical shifts.
    Amini SK, Shaghaghi H, Bain AD, Chabok A, Tafazzoli M.
    Solid State Nucl Magn Reson; 2010 Mar 26; 37(1-2):13-20. PubMed ID: 20071154
    [Abstract] [Full Text] [Related]

  • 18. A study on the intermolecular hydrogen bonds of alpha-glycylglycine in its actual crystalline phase using ab initio calculated 14N and 2H nuclear quadrupole coupling constants.
    Elmi F, Hadipour NL.
    J Phys Chem A; 2005 Mar 03; 109(8):1729-33. PubMed ID: 16833498
    [Abstract] [Full Text] [Related]

  • 19. Density functional theory study of nitrogen-14 nuclear quadrupole coupling parameters of L-histidine: hydrogen-bonded system.
    Elmi MM, Kaykhaei AA, Elmi F.
    Magn Reson Chem; 2012 Apr 03; 50(4):314-9. PubMed ID: 22415677
    [Abstract] [Full Text] [Related]

  • 20. Static solid-state (14)N NMR and computational studies of nitrogen EFG tensors in some crystalline amino acids.
    O'Dell LA, Schurko RW.
    Phys Chem Chem Phys; 2009 Aug 28; 11(32):7069-77. PubMed ID: 19652842
    [Abstract] [Full Text] [Related]

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