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Journal Abstract Search

276 related items for PubMed ID: 22897252

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  • 24. A scaled-ionic-charge simulation model that reproduces enhanced and suppressed water diffusion in aqueous salt solutions.
    Kann ZR, Skinner JL.
    J Chem Phys; 2014 Sep 14; 141(10):104507. PubMed ID: 25217937
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  • 25. Density functional study of ion hydration for the alkali metal ions (Li+, Na+, K+) and the halide ions (F-, Br-, Cl-).
    Krekeler C, Hess B, Delle Site L.
    J Chem Phys; 2006 Aug 07; 125(5):054305. PubMed ID: 16942211
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  • 26. Investigation of the salting out of methane from aqueous electrolyte solutions using computer simulations.
    Docherty H, Galindo A, Sanz E, Vega C.
    J Phys Chem B; 2007 Aug 02; 111(30):8993-9000. PubMed ID: 17595128
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  • 28. A modified TIP3P water potential for simulation with Ewald summation.
    Price DJ, Brooks CL.
    J Chem Phys; 2004 Nov 22; 121(20):10096-103. PubMed ID: 15549884
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  • 31. A transferable ab initio based force field for aqueous ions.
    Tazi S, Molina JJ, Rotenberg B, Turq P, Vuilleumier R, Salanne M.
    J Chem Phys; 2012 Mar 21; 136(11):114507. PubMed ID: 22443777
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  • 32. Optimized Magnesium Force Field Parameters for Biomolecular Simulations with Accurate Solvation, Ion-Binding, and Water-Exchange Properties.
    Grotz KK, Cruz-León S, Schwierz N.
    J Chem Theory Comput; 2021 Apr 13; 17(4):2530-2540. PubMed ID: 33720710
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  • 33. Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent.
    Mobley DL, Dumont E, Chodera JD, Dill KA.
    J Phys Chem B; 2007 Mar 08; 111(9):2242-54. PubMed ID: 17291029
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  • 34. The short range anion-H interaction is the driving force for crystal formation of ions in water.
    Alejandre J, Chapela GA, Bresme F, Hansen JP.
    J Chem Phys; 2009 May 07; 130(17):174505. PubMed ID: 19425788
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  • 35. Empirical force fields for biologically active divalent metal cations in water.
    Babu CS, Lim C.
    J Phys Chem A; 2006 Jan 19; 110(2):691-9. PubMed ID: 16405342
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  • 36. Unraveling water's entropic mysteries: a unified view of nonpolar, polar, and ionic hydration.
    Ben-Amotz D, Underwood R.
    Acc Chem Res; 2008 Aug 19; 41(8):957-67. PubMed ID: 18710198
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  • 37. Force field for monovalent, divalent, and trivalent cations developed under the solvent boundary potential.
    Won Y.
    J Phys Chem A; 2012 Nov 29; 116(47):11763-7. PubMed ID: 23102428
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  • 39. Absolute hydration entropies of alkali metal ions from molecular dynamics simulations.
    Carlsson J, Aqvist J.
    J Phys Chem B; 2009 Jul 30; 113(30):10255-60. PubMed ID: 19580304
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