Halide and sodium ion parameters for modeling aqueous solutions in TIP5P-Ew water

Chemical Physics Letters

Volumn 489, Issue 1-3, 2010, Pages 113-117

  Gladich, Ivan ^a   Shepson, Paul ^a   Szleifer, Igal ^b   Carignano, Marcelo ^b  

^a PURDUE UNIVERSITY   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI ION; AQUEOUS SOLUTIONS; DIFFUSION COEFFICIENTS; HALIDE IONS; HYDRATION FREE ENERGIES; LENNARD-JONES PARAMETERS; MOLECULAR DYNAMICS SIMULATIONS; NUMERICAL UNCERTAINTY; OXYGEN COORDINATION NUMBER; SODIUM IONS; SOLVATION LAYERS; WATER MODELS;

DIFFUSION; FREE ENERGY; HYDRATION; METAL IONS; MOLECULAR DYNAMICS;

MOLECULAR OXYGEN;

EID: 77949491484     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.02.032     Document Type: Article

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