Solubility of NaCl in water by molecular simulation revisited.
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Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation.Molecular dynamics study of salt-solution interface: solubility and surface charge of salt in water.Computational methodology for solubility prediction: Application to the sparingly soluble solutes.Simple electrolyte solutions: comparison of DRISM and molecular dynamics results for alkali halide solutions.Theoretical study of interactions of BSA protein in a NaCl aqueous solution.Free energy calculations for molecular solids using GROMACS.Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations.Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database.Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling.Ion aggregation in high salt solutions. VII. The effect of cations on the structures of ion aggregates and water hydrogen-bonding network.A potential model for sodium chloride solutions based on the TIP4P/2005 water model.Crystal structures of model lithium halides in bulk phase and in clusters.Molecular simulation of aqueous electrolytes: water chemical potential results and Gibbs-Duhem equation consistency tests.Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route.Temperature-dependent solubilities and mean ionic activity coefficients of alkali halides in water from molecular dynamics simulations.Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl–water interface
P2860
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P2860
Solubility of NaCl in water by molecular simulation revisited.
description
2012 nî lūn-bûn
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2012年の論文
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2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
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2012年论文
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2012年论文
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name
Solubility of NaCl in water by molecular simulation revisited.
@en
Solubility of NaCl in water by molecular simulation revisited.
@nl
type
label
Solubility of NaCl in water by molecular simulation revisited.
@en
Solubility of NaCl in water by molecular simulation revisited.
@nl
prefLabel
Solubility of NaCl in water by molecular simulation revisited.
@en
Solubility of NaCl in water by molecular simulation revisited.
@nl
P2093
P2860
P356
P1476
Solubility of NaCl in water by molecular simulation revisited.
@en
P2093
P2860
P304
P356
10.1063/1.4728163
P407
P577
2012-06-01T00:00:00Z