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940 related items for PubMed ID: 16898764

  • 1. Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton.
    Kelly CP, Cramer CJ, Truhlar DG.
    J Phys Chem B; 2006 Aug 17; 110(32):16066-81. PubMed ID: 16898764
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  • 2. Predicting aqueous free energies of solvation as functions of temperature.
    Chamberlin AC, Cramer CJ, Truhlar DG.
    J Phys Chem B; 2006 Mar 23; 110(11):5665-75. PubMed ID: 16539512
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  • 4. An improved cluster pair correlation method for obtaining the absolute proton hydration energy and enthalpy evaluated with an expanded data set.
    Donald WA, Williams ER.
    J Phys Chem B; 2010 Oct 21; 114(41):13189-200. PubMed ID: 20863092
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  • 6. SM6:  A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters.
    Kelly CP, Cramer CJ, Truhlar DG.
    J Chem Theory Comput; 2005 Nov 21; 1(6):1133-52. PubMed ID: 26631657
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  • 8. Ab initio procedure for aqueous-phase pKa calculation: the acidity of nitrous acid.
    da Silva G, Kennedy EM, Dlugogorski BZ.
    J Phys Chem A; 2006 Oct 05; 110(39):11371-6. PubMed ID: 17004748
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  • 9. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA.
    J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037
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  • 17. 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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  • 18. Performance of the IEF-MST solvation continuum model in a blind test prediction of hydration free energies.
    Soteras I, Forti F, Orozco M, Luque FJ.
    J Phys Chem B; 2009 Jul 09; 113(27):9330-4. PubMed ID: 19534454
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