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Journal Abstract Search

721 related items for PubMed ID: 18956834

  • 1.
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  • 2. Reformulation of Maxwell's equations to incorporate near-solute solvent structure.
    Yang PK, Lim C.
    J Phys Chem B; 2008 Sep 04; 112(35):10791-4. PubMed ID: 18698705
    [Abstract] [Full Text] [Related]

  • 3. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
    Marenich AV, Cramer CJ, Truhlar DG.
    J Phys Chem B; 2009 May 07; 113(18):6378-96. PubMed ID: 19366259
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  • 5. 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
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  • 7. FACTS: Fast analytical continuum treatment of solvation.
    Haberthür U, Caflisch A.
    J Comput Chem; 2008 Apr 15; 29(5):701-15. PubMed ID: 17918282
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  • 9. Free energy of solvation from molecular dynamics simulations for low dielectric solvents.
    Gonçalves PF, Stassen H.
    J Comput Chem; 2003 Nov 15; 24(14):1758-65. PubMed ID: 12964194
    [Abstract] [Full Text] [Related]

  • 10. On the molecular origins of volumetric data.
    Chalikian TV.
    J Phys Chem B; 2008 Jan 24; 112(3):911-7. PubMed ID: 18171052
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  • 12. On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy.
    Levy RM, Zhang LY, Gallicchio E, Felts AK.
    J Am Chem Soc; 2003 Aug 06; 125(31):9523-30. PubMed ID: 12889983
    [Abstract] [Full Text] [Related]

  • 13. Accuracy of the microsolvation-continuum approach in computing the pK(a) and the free energies of formation of phosphate species in aqueous solution.
    Tang E, Di Tommaso D, de Leeuw NH.
    Phys Chem Chem Phys; 2010 Nov 07; 12(41):13804-15. PubMed ID: 20862433
    [Abstract] [Full Text] [Related]

  • 14. Water coordination structures and the excess free energy of the liquid.
    Merchant S, Shah JK, Asthagiri D.
    J Chem Phys; 2011 Mar 28; 134(12):124514. PubMed ID: 21456683
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  • 16. 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]

  • 17. Theoretical study of the enol imine <--> enaminone tautomeric equilibrium in organic solvents.
    Nagy PI, Fabian WM.
    J Phys Chem B; 2006 Dec 14; 110(49):25026-32. PubMed ID: 17149926
    [Abstract] [Full Text] [Related]

  • 18. 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]

  • 19. A linear scaling study of solvent-solute interaction energy of drug molecules in aqua solution.
    Bondesson L, Rudberg E, Luo Y, Sałek P.
    J Phys Chem B; 2007 Aug 30; 111(34):10320-8. PubMed ID: 17676891
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