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Journal Abstract Search

517 related items for PubMed ID: 18154326

  • 1. Studies of the thermodynamic properties of hydrogen gas in bulk water.
    Sabo D, Varma S, Martin MG, Rempe SB.
    J Phys Chem B; 2008 Jan 24; 112(3):867-76. PubMed ID: 18154326
    [Abstract] [Full Text] [Related]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments.
    Pasalić H, Aquino AJ, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho K, Canuto S, Lischka H.
    J Comput Chem; 2010 Jul 30; 31(10):2046-55. PubMed ID: 20127744
    [Abstract] [Full Text] [Related]

  • 4. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
    Zhong Y, Patel S.
    J Phys Chem B; 2009 Jan 22; 113(3):767-78. PubMed ID: 19115819
    [Abstract] [Full Text] [Related]

  • 5. Monte Carlo simulations of the solution structure of simple alcohols in water-acetonitrile mixtures.
    Nagy PI, Erhardt PW.
    J Phys Chem B; 2005 Mar 31; 109(12):5855-72. PubMed ID: 16851638
    [Abstract] [Full Text] [Related]

  • 6. An analysis of molecular packing and chemical association in liquid water using quasichemical theory.
    Paliwal A, Asthagiri D, Pratt LR, Ashbaugh HS, Paulaitis ME.
    J Chem Phys; 2006 Jun 14; 124(22):224502. PubMed ID: 16784293
    [Abstract] [Full Text] [Related]

  • 7. The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators.
    Gallicchio E, Zhang LY, Levy RM.
    J Comput Chem; 2002 Apr 15; 23(5):517-29. PubMed ID: 11948578
    [Abstract] [Full Text] [Related]

  • 8. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study.
    Lima MC, Coutinho K, Canuto S, Rocha WR.
    J Phys Chem A; 2006 Jun 08; 110(22):7253-61. PubMed ID: 16737277
    [Abstract] [Full Text] [Related]

  • 9. Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry.
    Miller Y, Thomas JL, Kemp DD, Finlayson-Pitts BJ, Gordon MS, Tobias DJ, Gerber RB.
    J Phys Chem A; 2009 Nov 19; 113(46):12805-14. PubMed ID: 19817362
    [Abstract] [Full Text] [Related]

  • 10. Solvent effects in chemical processes. water-assisted proton transfer reaction of pterin in aqueous environment.
    Jaramillo P, Coutinho K, Canuto S.
    J Phys Chem A; 2009 Nov 12; 113(45):12485-95. PubMed ID: 19754044
    [Abstract] [Full Text] [Related]

  • 11. Adiabatic intramolecular movements for water systems.
    Pedroza LS, Silva AN.
    J Chem Phys; 2008 Mar 14; 128(10):104311. PubMed ID: 18345892
    [Abstract] [Full Text] [Related]

  • 12. Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions.
    Athawale MV, Sarupria S, Garde S.
    J Phys Chem B; 2008 May 08; 112(18):5661-70. PubMed ID: 18447346
    [Abstract] [Full Text] [Related]

  • 13. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
    Geerke DP, van Gunsteren WF.
    J Phys Chem B; 2007 Jun 14; 111(23):6425-36. PubMed ID: 17508737
    [Abstract] [Full Text] [Related]

  • 14. Rational design of ion force fields based on thermodynamic solvation properties.
    Horinek D, Mamatkulov SI, Netz RR.
    J Chem Phys; 2009 Mar 28; 130(12):124507. PubMed ID: 19334851
    [Abstract] [Full Text] [Related]

  • 15. An improved thermodynamic perturbation theory for Mercedes-Benz water.
    Urbic T, Vlachy V, Kalyuzhnyi YV, Dill KA.
    J Chem Phys; 2007 Nov 07; 127(17):174511. PubMed ID: 17994831
    [Abstract] [Full Text] [Related]

  • 16. QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians.
    Geerke DP, Thiel S, Thiel W, van Gunsteren WF.
    Phys Chem Chem Phys; 2008 Jan 14; 10(2):297-302. PubMed ID: 18213415
    [Abstract] [Full Text] [Related]

  • 17. In silico prediction of drug solubility: 1. Free energy of hydration.
    Westergren J, Lindfors L, Höglund T, Lüder K, Nordholm S, Kjellander R.
    J Phys Chem B; 2007 Feb 22; 111(7):1872-82. PubMed ID: 17266351
    [Abstract] [Full Text] [Related]

  • 18. Implicit nonpolar solvent models.
    Tan C, Tan YH, Luo R.
    J Phys Chem B; 2007 Oct 25; 111(42):12263-74. PubMed ID: 17918880
    [Abstract] [Full Text] [Related]

  • 19. Long-range influence of carbohydrates on the solvation dynamics of water--answers from terahertz absorption measurements and molecular modeling simulations.
    Heyden M, Bründermann E, Heugen U, Niehues G, Leitner DM, Havenith M.
    J Am Chem Soc; 2008 Apr 30; 130(17):5773-9. PubMed ID: 18393415
    [Abstract] [Full Text] [Related]

  • 20. Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.
    Shirts MR, Pande VS.
    J Chem Phys; 2005 Apr 01; 122(13):134508. PubMed ID: 15847482
    [Abstract] [Full Text] [Related]

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