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429 related items for PubMed ID: 21513394

  • 1. Effect of temperature and pressure on the structure, dynamics, and hydrogen bond properties of liquid N-methylacetamide: a molecular dynamics study.
    Pattanayak SK, Prashar N, Chowdhuri S.
    J Chem Phys; 2011 Apr 21; 134(15):154506. PubMed ID: 21513394
    [Abstract] [Full Text] [Related]

  • 2. Effect of water on solvation structure and dynamics of ions in the peptide bond environment: importance of hydrogen bonding and dynamics of the solvents.
    Pattanayak SK, Chowdhuri S.
    J Phys Chem B; 2011 Nov 17; 115(45):13241-52. PubMed ID: 21974748
    [Abstract] [Full Text] [Related]

  • 3. Evolution of self-diffusion and local structure in some amines over a wide temperature range at high pressures: a molecular dynamics simulation study.
    Feng H, Liu X, Gao W, Chen X, Wang J, Chen L, Lüdemann HD.
    Phys Chem Chem Phys; 2010 Dec 07; 12(45):15007-17. PubMed ID: 20953498
    [Abstract] [Full Text] [Related]

  • 4. Investigating pressure effects on structural and dynamical properties of liquid methanol with many-body interactions.
    Wick CD, Dang LX.
    J Chem Phys; 2005 Nov 08; 123(18):184503. PubMed ID: 16292910
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  • 5. A first principles molecular dynamics study of excess electron and lithium atom solvation in water-ammonia mixed clusters: structural, spectral, and dynamical behaviors of [(H2O)5NH3]- and Li(H2O)5NH3 at finite temperature.
    Pratihar S, Chandra A.
    J Chem Phys; 2011 Jan 21; 134(3):034302. PubMed ID: 21261348
    [Abstract] [Full Text] [Related]

  • 6. Structure and hydrogen bonding in neat N-methylacetamide: classical molecular dynamics and Raman spectroscopy studies of a liquid of peptidic fragments.
    Whitfield TW, Martyna GJ, Allison S, Bates SP, Vass H, Crain J.
    J Phys Chem B; 2006 Mar 02; 110(8):3624-37. PubMed ID: 16494418
    [Abstract] [Full Text] [Related]

  • 7. A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: structural, electronic, and dynamical properties.
    Pratihar S, Chandra A.
    J Chem Phys; 2011 Jan 14; 134(2):024519. PubMed ID: 21241132
    [Abstract] [Full Text] [Related]

  • 8. Solution structure of the aqueous model peptide N-methylacetamide.
    Allison SK, Bates SP, Crain J, Martyna GJ.
    J Phys Chem B; 2006 Oct 26; 110(42):21319-26. PubMed ID: 17048961
    [Abstract] [Full Text] [Related]

  • 9. The ultrafast dynamics of hydrogen-bonded liquids: molecular structure-dependent occurrence of normal arrhenius or fractional Stokes-Einstein-Debye rotational diffusive relaxation.
    Hunt NT, Turner AR, Tanaka H, Wynne K.
    J Phys Chem B; 2007 Aug 16; 111(32):9634-43. PubMed ID: 17645327
    [Abstract] [Full Text] [Related]

  • 10. A portable intermolecular potential for molecular dynamics studies of NMA-NMA and NMA-H2O aggregates.
    Albertí M, Faginas Lago N, Laganà A, Pirani F.
    Phys Chem Chem Phys; 2011 May 14; 13(18):8422-32. PubMed ID: 21331403
    [Abstract] [Full Text] [Related]

  • 11. A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
    Yang ZZ, Qian P.
    J Chem Phys; 2006 Aug 14; 125(6):64311. PubMed ID: 16942290
    [Abstract] [Full Text] [Related]

  • 12. Trehalose induced modifications in the solvation pattern of N-methylacetamide.
    Paul S, Paul S.
    J Phys Chem B; 2014 Jan 30; 118(4):1052-63. PubMed ID: 24423002
    [Abstract] [Full Text] [Related]

  • 13. First-Principles Simulation Study of Vibrational Spectral Diffusion and Hydrogen Bond Fluctuations in Aqueous Solution of N-Methylacetamide.
    Yadav VK, Chandra A.
    J Phys Chem B; 2015 Jul 30; 119(30):9858-67. PubMed ID: 26191969
    [Abstract] [Full Text] [Related]

  • 14. Structural properties of hydration shell around various conformations of simple polypeptides.
    Czapiewski D, Zielkiewicz J.
    J Phys Chem B; 2010 Apr 08; 114(13):4536-50. PubMed ID: 20232827
    [Abstract] [Full Text] [Related]

  • 15. Exploring the Counteracting Mechanism of Trehalose on Urea Conferred Protein Denaturation: A Molecular Dynamics Simulation Study.
    Paul S, Paul S.
    J Phys Chem B; 2015 Jul 30; 119(30):9820-34. PubMed ID: 26115143
    [Abstract] [Full Text] [Related]

  • 16. Dynamical properties of hydrogen sulphide motion in its clathrate hydrate from ab initio and classical isobaric-isothermal molecular dynamics.
    English NJ, Tse JS.
    J Phys Chem A; 2011 Jun 16; 115(23):6226-32. PubMed ID: 21391544
    [Abstract] [Full Text] [Related]

  • 17. Collective hydrogen bond reorganization in water studied with temperature-dependent ultrafast infrared spectroscopy.
    Nicodemus RA, Corcelli SA, Skinner JL, Tokmakoff A.
    J Phys Chem B; 2011 May 12; 115(18):5604-16. PubMed ID: 21417373
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  • 18. Topological hydrogen-bond definition to characterize the structure and dynamics of liquid water.
    Henchman RH, Irudayam SJ.
    J Phys Chem B; 2010 Dec 23; 114(50):16792-810. PubMed ID: 21114302
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  • 19. Dynamical properties of the soft sticky dipole-quadrupole-octupole water model: a molecular dynamics study.
    Chowdhuri S, Tan ML, Ichiye T.
    J Chem Phys; 2006 Oct 14; 125(14):144513. PubMed ID: 17042615
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  • 20. Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.
    Choudhuri JR, Chandra A.
    J Chem Phys; 2014 Oct 07; 141(13):134703. PubMed ID: 25296824
    [Abstract] [Full Text] [Related]

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