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542 related items for PubMed ID: 20095713

  • 1. Ionic force field optimization based on single-ion and ion-pair solvation properties.
    Fyta M, Kalcher I, Dzubiella J, Vrbka L, Netz RR.
    J Chem Phys; 2010 Jan 14; 132(2):024911. PubMed ID: 20095713
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  • 4. Force fields for divalent cations based on single-ion and ion-pair properties.
    Mamatkulov S, Fyta M, Netz RR.
    J Chem Phys; 2013 Jan 14; 138(2):024505. PubMed ID: 23320702
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  • 5. Ion solvation thermodynamics from simulation with a polarizable force field.
    Grossfield A, Ren P, Ponder JW.
    J Am Chem Soc; 2003 Dec 17; 125(50):15671-82. PubMed ID: 14664617
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  • 7. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.
    Reif MM, Hünenberger PH.
    J Chem Phys; 2011 Apr 14; 134(14):144104. PubMed ID: 21495739
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  • 9. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
    Warren GL, Patel S.
    J Chem Phys; 2007 Aug 14; 127(6):064509. PubMed ID: 17705614
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  • 11. Kirkwood-Buff derived force field for alkali chlorides in simple point charge water.
    Klasczyk B, Knecht V.
    J Chem Phys; 2010 Jan 14; 132(2):024109. PubMed ID: 20095665
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  • 13. Molecular dynamic simulations of ionic liquids: a reliable description of structure, thermodynamics and dynamics.
    Köddermann T, Paschek D, Ludwig R.
    Chemphyschem; 2007 Dec 03; 8(17):2464-70. PubMed ID: 17943710
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  • 14. 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
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  • 16. Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ions.
    Reif MM, Hünenberger PH.
    J Chem Phys; 2011 Apr 14; 134(14):144103. PubMed ID: 21495738
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  • 17. Monte Carlo simulations of salt solutions: exploring the validity of primitive models.
    Abbas Z, Ahlberg E, Nordholm S.
    J Phys Chem B; 2009 Apr 30; 113(17):5905-16. PubMed ID: 19341250
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  • 18. 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
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