Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations.
about
Molecular dynamics study of salt-solution interface: solubility and surface charge of salt in water.Revisiting the hydration structure of aqueous Na.Solvent activity in electrolyte solutions from molecular simulation of the osmotic pressure.Electrolyte pore/solution partitioning by expanded grand canonical ensemble Monte Carlo simulation.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.Note: Activity coefficients and solubilities for the NaCl/ϵ force field.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.On the structure of water and chloride ion interactions with a peptide backbone in solution
P2860
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P2860
Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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name
Molecular force fields for aqu ...... models and their limitations.
@en
Molecular force fields for aqu ...... models and their limitations.
@nl
type
label
Molecular force fields for aqu ...... models and their limitations.
@en
Molecular force fields for aqu ...... models and their limitations.
@nl
prefLabel
Molecular force fields for aqu ...... models and their limitations.
@en
Molecular force fields for aqu ...... models and their limitations.
@nl
P2860
P356
P1476
Molecular force fields for aqu ...... e models and their limitations
@en
P2093
Ivo Nezbeda
William R Smith
P2860
P304
P356
10.1063/1.4801322
P407
P50
P577
2013-04-01T00:00:00Z