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Journal Abstract Search

194 related items for PubMed ID: 22651887

  • 21. Statics and dynamics of free and hydrogen-bonded OH groups at the air/water interface.
    Vila Verde A, Bolhuis PG, Campen RK.
    J Phys Chem B; 2012 Aug 09; 116(31):9467-81. PubMed ID: 22788714
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  • 22. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E, Bogatko S, Weare JH, Fulton JL, Schenter GK, Bylaska EJ.
    J Chem Phys; 2010 May 21; 132(19):194502. PubMed ID: 20499974
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  • 23. Structural inhomogeneity of water by complex network analysis.
    Rao F, Garrett-Roe S, Hamm P.
    J Phys Chem B; 2010 Dec 02; 114(47):15598-604. PubMed ID: 20857960
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  • 24. Structural dynamics of the box C/D RNA kink-turn and its complex with proteins: the role of the A-minor 0 interaction, long-residency water bridges, and structural ion-binding sites revealed by molecular simulations.
    Spacková N, Réblová K, Sponer J.
    J Phys Chem B; 2010 Aug 19; 114(32):10581-93. PubMed ID: 20701388
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  • 25. The hydrogen bond network structure within the hydration shell around simple osmolytes: urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model.
    Kuffel A, Zielkiewicz J.
    J Chem Phys; 2010 Jul 21; 133(3):035102. PubMed ID: 20649360
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  • 26. Self-diffusion coefficients for water and organic solvents at high temperatures along the coexistence curve.
    Yoshida K, Matubayasi N, Nakahara M.
    J Chem Phys; 2008 Dec 07; 129(21):214501. PubMed ID: 19063563
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  • 27. Structure and dynamics of TIP3P, TIP4P, and TIP5P water near smooth and atomistic walls of different hydroaffinity.
    Harrach MF, Drossel B.
    J Chem Phys; 2014 May 07; 140(17):174501. PubMed ID: 24811640
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  • 28. Local order, energy, and mobility of water molecules in the hydration shell of small peptides.
    Agarwal M, Kushwaha HR, Chakravarty C.
    J Phys Chem B; 2010 Jan 14; 114(1):651-9. PubMed ID: 19863091
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  • 29. Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization.
    Lu J, Qiu Y, Baron R, Molinero V.
    J Chem Theory Comput; 2014 Sep 09; 10(9):4104-20. PubMed ID: 26588552
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  • 30. Molecular dynamics simulations of vapor/liquid coexistence using the nonpolarizable water models.
    Sakamaki R, Sum AK, Narumi T, Yasuoka K.
    J Chem Phys; 2011 Mar 28; 134(12):124708. PubMed ID: 21456696
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  • 31. Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation.
    Guevara-Carrion G, Vrabec J, Hasse H.
    J Chem Phys; 2011 Feb 21; 134(7):074508. PubMed ID: 21341860
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  • 32. Structural rearrangements in water viewed through two-dimensional infrared spectroscopy.
    Roberts ST, Ramasesha K, Tokmakoff A.
    Acc Chem Res; 2009 Sep 15; 42(9):1239-49. PubMed ID: 19585982
    [Abstract] [Full Text] [Related]

  • 33. Higher-order virial coefficients of water models.
    Benjamin KM, Singh JK, Schultz AJ, Kofke DA.
    J Phys Chem B; 2007 Oct 04; 111(39):11463-73. PubMed ID: 17850128
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  • 34. Halothane solvation in water and organic solvents from molecular simulations with new polarizable potential function.
    Subbotina JO, Johannes J, Lev B, Noskov SY.
    J Phys Chem B; 2010 May 20; 114(19):6401-8. PubMed ID: 20411978
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  • 35. 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
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  • 36. Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.
    Horn HW, Swope WC, Pitera JW.
    J Chem Phys; 2005 Nov 15; 123(19):194504. PubMed ID: 16321097
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  • 37. Dielectric constant of ices and water: a lesson about water interactions.
    Aragones JL, MacDowell LG, Vega C.
    J Phys Chem A; 2011 Jun 16; 115(23):5745-58. PubMed ID: 20866096
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  • 38. The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface.
    García Fernández R, Abascal JL, Vega C.
    J Chem Phys; 2006 Apr 14; 124(14):144506. PubMed ID: 16626213
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  • 39. 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
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  • 40. Water and other tetrahedral liquids: order, anomalies and solvation.
    Jabes BS, Nayar D, Dhabal D, Molinero V, Chakravarty C.
    J Phys Condens Matter; 2012 Jul 18; 24(28):284116. PubMed ID: 22739063
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