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Chemical Physics Letters, ISSN 0009-2614, 05/2015, Volume 628, p. 30
Journal Article
SCIENTIFIC REPORTS, ISSN 2045-2322, 07/2019, Volume 9, Issue 1, pp. 10289 - 10
The improvement in adsorption/desorption of hydrofluorocarbons has implications for many heat transformation applications such as cooling, refrigeration, heat... 
STORAGE | HYDROGEN | CO2/CH4 | COORDINATION POLYMER | METHANE | MULTIDISCIPLINARY SCIENCES | FORCE-FIELD | SEPARATION | CO2/N-2 | PREDICTION | Perfluorocarbons | Transformation | Adsorption | Chlorine | Chromium | Porosity | Refrigeration | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 05/2015, Volume 628, Issue C
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2017, Volume 147, Issue 16
Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ethylene carbonate (EC) exchange process... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 01/2016, Volume 643, Issue C
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 09/2016, Volume 145, Issue 9
In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li+(aq) and the kinetics of ion pairings in lithium-ion... 
ENERGY STORAGE | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY B, ISSN 1520-6106, 03/2019, Volume 123, Issue 10, pp. 2397 - 2404
The features of interfacial water at air-water interfaces of anionic sodium dodecyl sulfate (SDS) and cationic dodecyl amine hydrochloride (DDA) solutions were... 
AIR/WATER INTERFACE | MIXTURES | POTENTIAL MEASUREMENT | SODIUM DODECYL-SULFATE | ORIENTATION | DYNAMICS | CHEMISTRY, PHYSICAL | ADSORPTION | SIMULATION | MOLECULES
Journal Article
Fuel, ISSN 0016-2361, 06/2017, Volume 197, Issue C
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2018, Volume 148, Issue 22, p. 222820
Studies on ion pairing at interfaces have been intensified recently because of their importance in many chemical reactive phenomena, such as ion–ion... 
SURFACE | CHEMISTRY, PHYSICAL | MOLECULAR-DYNAMICS | MODELS | FORCE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 09/2016, Volume 145, Issue 9
In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li{sup +} and the kinetics of ion pairings in lithium-ion... 
LITHIUM ION BATTERIES | SOLVENTS | LITHIUM IONS | ION PAIRS | KINETICS | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | CHEMICAL REACTIONS | ACETONITRILE | EXPERIMENTAL DATA | SOLVATION | COMPUTERIZED SIMULATION | FREE ENERGY
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 11/2006, Volume 110, Issue 47, pp. 23644 - 23654
Journal Article
Langmuir, ISSN 0743-7463, 11/2018, Volume 34, Issue 47, pp. 14317 - 14327
Recently, it was reported that using CO2 as a flotation gas increases the flotation of auriferous pyrite from high carbonate gold ores of the Carlin Trend. In... 
HYDROPHOBIC SURFACES | MOLECULAR-DYNAMICS | PARTICLES | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | COLLISION | CHEMISTRY, MULTIDISCIPLINARY | INTERACTION FORCES | BUBBLE ATTACHMENT | INTERFACIAL WATER | AMYL XANTHATE FLOTATION | DISSOLVED AIR | WETTING FILMS
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 03/2017, Volume 671, Issue C
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 03/2016, Volume 120, Issue 8, pp. 1391 - 1392
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 05/2015, Volume 628, Issue C, pp. 30 - 34
In this letter, we report the first computer simulation of the dynamics of water exchanging between the first and second solvation shells of H O . Employing... 
GRADIENT DIFFUSION MEASUREMENTS | GROTTHUSS | MOLECULAR-DYNAMICS | TRANSPORT | POLYMER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | LIQUID WATER | CHEMISTRY, PHYSICAL | SIMULATIONS | PROTON-TRANSFER | HYDROXIDE | PAIR
Journal Article
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, ISSN 1520-6106, 12/2018, Volume 123, Issue 3
In solvent extraction processes for recovering metal ions from used nuclear fuel, as well as other industrial applications, a better understanding of the metal... 
polarizable force fields, TBP, n-dodecane, surface tension, interfacial tension
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 05/2015, Volume 628, pp. 30 - 34
Abstract In this letter, we report the first computer simulation of the dynamics of water exchanging between the first and second solvation shells of H 3 O + .... 
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 02/2015, Volume 142, Issue 6
Journal Article
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