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chemistry, physical (130) 130
ionic liquids (80) 80
physics, atomic, molecular & chemical (54) 54
molecular dynamics (53) 53
temperature (47) 47
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index medicus (13) 13
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Langmuir, ISSN 0743-7463, 04/2018, Volume 34, Issue 14, pp. 4408 - 4416
At 298 K, the surface tension of ionic liquids (ILs) of the 1-alkyl-3-methylimidazolium bis­(trifluoromethylsulfonyl)­imide series, [C n C1Im]­[NTf2], ranges... 
ARXPS | PHYSICAL-PROPERTIES | MOLTEN-SALTS | MATERIALS SCIENCE, MULTIDISCIPLINARY | SUBSTITUENTS | CHEMISTRY, PHYSICAL | FORCE-FIELD | PARACHOR | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, ISSN 1549-9618, 11/2019, Volume 15, Issue 11, pp. 5858 - 5871
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 12/2017, Volume 13, Issue 12, pp. 6167 - 6176
In this work, a force field for molecular dynamics and Monte Carlo simulations of ionic liquids containing imidazolium and halo-imidazolium derivatives is... 
DYNAMICS SIMULATIONS | DENSITY | CORRELATED MOLECULAR CALCULATIONS | BORN REPULSIVE PARAMETERS | IODIDE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CRYSTAL-STRUCTURES | ALKALI HALIDES | GAUSSIAN-BASIS SETS | HYDROGEN-BONDS | MP2 ENERGY
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 11/2017, Volume 19, Issue 43, pp. 29617 - 29624
Herein, seven anions including four imide-based, namely bis[(trifluoromethyl)sulfonyl]imide (TFSI), bis(fluorosulfonyl)imide (FSI),... 
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 12/2017, Volume 13, Issue 12, p. 6167
In this work, a force field for molecular dynamics and Monte Carlo simulations of ionic liquids containing imidazolium and halo-imidazolium derivatives is... 
Solvents | Computer simulation | Molecular dynamics | Ionic liquids | Ions | Derivatives | Charge distribution | Molecular chains
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 07/2004, Volume 108, Issue 30, p. 11250
Journal Article
Nature, ISSN 0028-0836, 02/2006, Volume 439, Issue 7078, pp. 831 - 834
It is widely believed that a defining characteristic of ionic liquids (or low-temperature molten salts) is that they exert no measurable vapour pressure, and... 
VAPOR-PRESSURE | TEMPERATURE | MULTIDISCIPLINARY SCIENCES
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 10/2004, Volume 108, Issue 43, pp. 16893 - 16898
A set of force field parameters is proposed for the molecular simulation of ionic liquids containing the anions trifluoromethylsufate and... 
MOLTEN-SALTS | AB-INITIO | COMPLEXES | CHEMISTRY, PHYSICAL | CONFORMATIONAL-ANALYSIS | IMIDAZOLIUM | SIMULATION | HYDRATION | Molecular dynamics | Chemical properties | Research | Structure | Methyl groups | Crystals | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 09/2013, Volume 117, Issue 35, pp. 10271 - 10283
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 07/2012, Volume 41, Issue 14, pp. 4966 - 4995
During the past decade, ionic-liquid-based Aqueous Biphasic Systems (ABS) have been the focus of a significant amount of research. Based on a compilation and... 
298.15 K EXPERIMENT | PLUS WATER | TETRABUTYLAMMONIUM BROMIDE | 2-PHASE SYSTEMS | PARTITIONING BEHAVIOR | SALTING-OUT | 1-BUTYL-3-METHYLIMIDAZOLIUM BROMIDE | PHASE-BEHAVIOR | AMINO-ACIDS | POLYETHYLENE-GLYCOL | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of Chemical & Engineering Data, ISSN 0021-9568, 08/2016, Volume 61, Issue 8, pp. 2828 - 2843
Density and dynamic viscosity data of binary mixtures of ionic liquids (ILs) were determined in this work, at temperatures from 283.15 to 363.15 K and at 0.1... 
PHYSICAL-PROPERTIES | TEMPERATURE-DEPENDENCE | THERMOPHYSICAL PROPERTIES | PRESSURE-DEPENDENCE | IMIDAZOLIUM | CHEMISTRY, MULTIDISCIPLINARY | ENGINEERING, CHEMICAL | THERMODYNAMICS | BINARY-MIXTURES | HEXAFLUOROPHOSPHATE | REFRACTIVE-INDEX | TETRAFLUOROBORATE | BIS(TRIFLUOROMETHYLSULFONYL)IMIDE ANION
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 01/2012, Volume 41, Issue 2, pp. 829 - 868
Some of the most active scientific research fronts of the past decade are centered on ionic liquids. These fluids present characteristic surface behavior and... 
PHYSICOCHEMICAL PROPERTIES | PHYSICAL-PROPERTIES | SELF-AGGREGATION | AQUEOUS-SOLUTIONS | MICELLE FORMATION | BINARY-MIXTURES | SUM-FREQUENCY GENERATION | INTERFACIAL-TENSION | CHEMISTRY, MULTIDISCIPLINARY | MOLECULAR-FORCE FIELD | AGGREGATION BEHAVIOR
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 06/2017, Volume 121, Issue 24, pp. 6002 - 6020
Ionic-liquid (IL) mixtures hold great promise, as they allow liquids with a wide range of properties to be formed by mixing two common components rather than... 
PHYSICAL-PROPERTIES | ETHYLAMMONIUM NITRATE | BINARY-MIXTURES | CHEMISTRY, PHYSICAL | X-RAY-SCATTERING | CATION SYMMETRY | COMMON ION | ALKYL CHAIN-LENGTH | OUTER ATOMIC SURFACE | MOLECULAR-FORCE FIELD | AGGREGATION BEHAVIOR | Usage | Diffraction | Chemical structure | X-rays | Ionic liquids | Molecular dynamics | Research | Chemical properties | Chemical synthesis
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 09/2013, Volume 117, Issue 37, pp. 10826 - 10833
The study of solid–fluid transitions in fluorinated ionic liquids using differential scanning calorimetry, rheology, and molecular modeling techniques is an... 
CHEMISTRY, PHYSICAL | SEGREGATION | MOLECULAR-FORCE FIELD | SOLUTES | Thermal properties | Measurement | Chemical reaction, Rate of | Analysis | Methyl groups | Molecular dynamics | Chemical properties | Surface energy | Dynamic tests | Ionic liquids | Calorimetry | Formations | Mesoscale phenomena | Nanostructure | Fluorination | Rheological properties
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 11/2007, Volume 40, Issue 11, pp. 1114 - 1121
The fascinating, complex behavior of ionic liquids is analyzed using a molecular perspective that emphasizes the doubly dual nature of ionic liquids underlying... 
HETEROGENEITY | TEMPERATURE | PHASE-BEHAVIOR | ETHANOL | AMMONIUM BROMIDE | VAPORIZATION | LIQUID/ORGANIC MIXTURES | CARBON-DIOXIDE | CHEMISTRY, MULTIDISCIPLINARY | EXTENDED PRESSURE RANGE | WATER | Thermodynamics | Models, Chemical | Ionic Liquids - chemistry | Phase Transition | Ionic solutions | Research | Chemical properties
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 04/2005, Volume 109, Issue 13, pp. 6040 - 6043
One-stage, reduced-pressure distillations at moderate temperature of 1-decyl- and 1-dodecyl-3-methylimidazolium bistriflilamide ([Ntf2]-) ionic liquids (ILs)... 
CATALYSIS | THERMODYNAMIC PROPERTIES | SOLVENTS | 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE | CHEMISTRY, PHYSICAL | STATE | IMIDAZOLIUM | FUTURE | Ions | Transition temperature | Surface tension | Analysis
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 01/2007, Volume 129, Issue 2, pp. 284 - 285
Molar enthalpies of vaporization, of a homologous series of 1-alkyl-3-methylimidazolium bis(trifluoromethyl sulfonyl)imides, [C n mim][NTf2], (with 2 ≤ n ≤ 8)... 
VAPOR-PRESSURES | TEMPERATURE | CHEMISTRY, MULTIDISCIPLINARY | VAPORIZATION ENTHALPIES | ALKANES | Observations | Ionization | Lattice dynamics | Analysis
Journal Article