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alkali-halides (196) 196
chemistry, physical (185) 185
alkali halides (171) 171
physics, condensed matter (89) 89
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alkali-halide solutions (25) 25
dynamics (25) 25
kcl (25) 25
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electrolyte-solutions (18) 18
sodium chloride (18) 18
solutions (18) 18
born repulsive parameters (17) 17
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diffusion (17) 17
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chemistry, analytical (13) 13
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Journal of Chemical Thermodynamics, ISSN 0021-9614, 2017, Volume 106, pp. 285 - 294
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2018, Volume 20, Issue 33, pp. 21313 - 21324
Journal Article
The journal of physical chemistry. B, ISSN 1520-6106, 04/2019, Volume 123, Issue 15, pp. 3312 - 3324
Aqueous ionic solutions are ubiquitous in chemistry and in biology. Experiments show that ions affect water dynamics, but a full understanding of several questions remains needed... 
MOLECULAR-DYNAMICS | HYDROGEN-BOND DYNAMICS | SELF-DIFFUSION | JUMP MECHANISM | CHEMISTRY, PHYSICAL | VISCOSITY | ELECTROLYTE-SOLUTIONS | REORIENTATION DYNAMICS | SOLVATION | HYDRATION | DEPENDENCE | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2009, Volume 131, Issue 14, pp. 144511 - 144511-13
Journal Article
Journal Article
AIChE Journal, ISSN 0001-1541, 09/2015, Volume 61, Issue 9, pp. 2854 - 2860
Solution of a strong electrolyte in a high‐density polar fluid gives rise to a dielectric saturation that decreases the orientation polarizability... 
permittivity | electrolyte solutions | solvents | mixed solvents | Solvents | Electrolyte solutions | Mixed solvents | Permittivity | MIXTURES | ENGINEERING, CHEMICAL | EQUATION-OF-STATE | CONSTANTS | DIELECTRIC-PROPERTIES | ALKALI-HALIDES | MOLECULES | LIQUIDS | Electrolytes | Models | Dielectric constant | Proximity | Saturation | Ethyl alcohol | Mathematical models
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 02/2018, Volume 122, Issue 5, pp. 1662 - 1668
Aqueous solutions under thermal gradients feature thermodiffusion (Ludwig–Soret) and thermoelectric (Seebeck... 
HEAT | MOLECULAR-DYNAMICS | TRANSPORT | TEMPERATURE | ENHANCEMENT | CHEMISTRY, PHYSICAL | POWER | Molecular simulation | Water | Thermal properties | Aqueous solution reactions | Analysis | Solution (Chemistry) | Research | Chemical properties | Thermoelectricity
Journal Article
Journal of Chemical & Engineering Data, ISSN 0021-9568, 02/2016, Volume 61, Issue 2, pp. 740 - 747
We present simple %-level accuracy universal correlations for densities of aqueous electrolyte solutions at 298.15 K and 0.1 MPa... 
298.15 K | VISCOSITY | CHEMISTRY, MULTIDISCIPLINARY | ENGINEERING, CHEMICAL | VOLUMETRIC PROPERTIES | THERMODYNAMICS | 25-DEGREES-C | TEMPERATURES | ALKALI-HALIDES | COEFFICIENTS | HEAT-CAPACITIES | IONIC-STRENGTH | WATER
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2018, Volume 20, Issue 43, pp. 27684 - 27693
.... Unlike alkali halide solutions in water, TBA–TPB–DCE solutions feature large organic ions and a solvent with a dielectric constant almost one order of magnitude lower than that of... 
ELECTRICAL DOUBLE-LAYER | MOLECULAR-DYNAMICS | INTERFACE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SURFACE | CHEMISTRY, PHYSICAL | TENSION | MONTE-CARLO-SIMULATION | PRIMITIVE MODEL | ELECTROLYTE-SOLUTIONS | HYDRATION
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 01/2013, Volume 138, Issue 4, p. 044201
... (x-ray absorption/diffraction structural refinement, XADSR) to study the hydration and ion pair structure of CaCl2 and RbBr salts in concentrated aqueous solutions... 
AQUA ION | COMBINED EXAFS | ABSORPTION FINE-STRUCTURE | SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ALKALI-HALIDES | X-RAY-DIFFRACTION | RUBIDIUM BROMIDE | MOLECULAR-DYNAMICS SIMULATIONS | HYDRATION | SOLVATION STRUCTURE | Anions | Diffraction | Hydration | Ion pairs | X-rays | Cations | Spectra | Bonding
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 05/2014, Volume 16, Issue 17, pp. 7772 - 7785
Classical molecular dynamics simulations of several aqueous alkali halide salt solutions have been used to determine the effect of electrolytes on the structure of water and the hydration properties of calcium ions... 
HYDROGEN-BOND DYNAMICS | BACKGROUND ELECTROLYTES | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | GROWTH-KINETICS | AQUEOUS-ELECTROLYTE SOLUTIONS | DENSITY-FUNCTIONAL THEORY | METAL-IONS | MOLECULAR-DYNAMICS SIMULATION | WATER INTERFACE | SURFACE-CHEMISTRY | Water | Hydration | Calcium | Hydrogen bonds | Dynamics | Shells | Electrolytes | Mathematical models
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 05/2014, Volume 16, Issue 17, pp. 7772 - 7785
Classical molecular dynamics simulations of several aqueous alkali halide salt solutions have been used to determine the effect of electrolytes on the structure of water and the hydration properties of calcium ions... 
Journal Article
Journal of Chemical & Engineering Data, ISSN 0021-9568, 12/2016, Volume 61, Issue 12, pp. 4068 - 4076
The activities of the alkali halide salts in aqueous solution are systematically investigated by the molecular simulation of alkali halide salt solutions using a set of ion models developed... 
DENSITY | ENGINEERING, CHEMICAL | THERMODYNAMIC PROPERTIES | THERMODYNAMICS | CHEMICAL-POTENTIALS | NACL | OSMOTIC-PRESSURE | OPTIMIZATION | FORCE-FIELDS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Molecular simulation, ISSN 1029-0435, 2018, Volume 45, Issue 4-5, pp. 358 - 372
Journal Article