All Stories

  1. Solvent effects on the polar network of ionic liquid solutions
  2. Viscosity minima in binary mixtures of ionic liquids + molecular solvents
  3. From lime to silica and alumina: systematic modeling of cement clinkers using a general force-field
  4. Structural and aggregate analyses of (Li salt + glyme) mixtures: the complex nature of solvate ionic liquids
  5. The complex structure of ionic liquids at an atomistic level: from “red-and-greens” to charge templates
  6. Structure and Aggregation in the 1-Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series
  7. The alternation effect in ionic liquid homologous series
  8. Compressive behavior of CNT-reinforced aluminum composites using molecular dynamics
  9. All-Atom Force Field for Molecular Dynamics Simulations on Organotransition Metal Solids and Liquids. Application to M(CO)n (M = Cr, Fe, Ni, Mo, Ru, or W) Compounds
  10. Influence of Bond Kinematics on the Rupture of Non-Chiral CNTs under Stretching–Twisting
  11. On the Formation of a Third, Nanostructured Domain in Ionic Liquids
  12. Systematic Study of the Thermophysical Properties of Imidazolium-Based Ionic Liquids with Cyano-Functionalized Anions
  13. Using 129Xe NMR to Probe the Structure of Ionic Liquids
  14. Thermophysical and magnetic studies of two paramagnetic liquid salts: [C4mim][FeCl4] and [P66614][FeCl4]
  15. Viscosity Mixing Rules for Binary Systems Containing One Ionic Liquid
  16. Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations
  17. Probing the self-aggregation of ionic liquids in aqueous solutions using density and speed of sound data
  18. Induced anisotropy of chiral carbon nanotubes under combined tension-twisting
  19. Nano-segregation in ionic liquids: scorpions and vanishing chains
  20. High ionicity ionic liquids (HIILs): comparing the effect of ethylsulfonate and ethylsulfate anions
  21. Unusual LCST-type behaviour found in binary mixtures of choline-based ionic liquids with ethers
  22. Tension–twisting dependent kinematics of chiral CNTs
  23. Solubility of inorganic salts in pure ionic liquids
  24. ChemInform Abstract: Aqueous Biphasic Systems: A Boost Brought about by Using Ionic Liquids
  25. Liquid–Liquid Equilibrium of Cholinium-Derived Bistriflimide Ionic Liquids with Water and Octanol
  26. Impact of Self-Aggregation on the Formation of Ionic-Liquid-Based Aqueous Biphasic Systems
  27. Polymorphism in 4′-Hydroxyacetophenone: A Molecular Dynamics Simulation Study
  28. ChemInform Abstract: Surface Tension of Ionic Liquids and Ionic Liquid Solutions
  29. A molecular dynamics study on the thickness and post-critical strength of carbon nanotubes
  30. Density, Thermal Expansion and Viscosity of Cholinium‐Derived Ionic Liquids
  31. CL&P: A generic and systematic force field for ionic liquids modeling
  32. CL&P: A generic and systematic force field for ionic liquids modeling
  33. Partition Coefficients of Alkaloids in Biphasic Ionic-Liquid-Aqueous Systems and their Dependence on the Hofmeister Series
  34. Inorganic salts in purely ionic liquid media: the development of high ionicity ionic liquids (HIILs)
  35. Aqueous biphasic systems: a boost brought about by using ionic liquids
  36. Surface tension of ionic liquids and ionic liquid solutions
  37. Hollow calcite rhombohedra at ionic liquid-stabilized bubbles
  38. 2D or not 2D: Structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid
  39. Interaction diagrams for carbon nanotubes under combined shortening–twisting
  40. Characteristics of aggregation in aqueous solutions of dialkylpyrrolidinium bromides
  41. ChemInform Abstract: Thermodynamics and Micro Heterogeneity of Ionic Liquids
  42. The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water
  43. Viscosity of (C2–C14) 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids in an extended temperature range
  44. Effect of alkyl chain length and hydroxyl group functionalization on the surface properties of imidazolium ionic liquids
  45. Nanostructure of Trialkylmethylammonium Bistriflamide Ionic Liquids Studied by Molecular Dynamics
  46. Vaporisation of a Dicationic Ionic Liquid Revisited
  47. Energetics of Aqueous Solutions of the Ionic Liquid 1-Ethyl-3-methylimidazolium Ethylsulfate
  48. Raman Spectroscopic Study of the Vapor Phase of 1-Methylimidazolium Ethanoate, a Protic Ionic Liquid
  49. Rationalizing the Diverse Solid−Liquid Equilibria of Binary Mixtures of Benzene and Its Fluorinated Derivatives
  50. High-temperature surface tension and density measurements of 1-alkyl-3-methylimidazolium bistriflamide ionic liquids
  51. Studies on the density, heat capacity, surface tension and infinite dilution diffusion with the ionic liquids [C4mim][NTf2], [C4mim][dca], [C2mim][EtOSO3] and [Aliquat][dca]
  52. Structural and Positional Isomerism Influence in the Physical Properties of Pyridinium NTf2-Based Ionic Liquids: Pure and Water-Saturated Mixtures
  53. Binary mixtures of ionic liquids with a common ion revisited: A molecular dynamics simulation study
  54. Three commentaries on the nano-segregated structure of ionic liquids
  55. Solubility of alkanes, alkanols and their fluorinated counterparts in tetraalkylphosphonium ionic liquids
  56. Ionic liquids and reactive azeotropes: the continuity of the aprotic and protic classes
  57. High-performance extraction of alkaloids using aqueous two-phase systems with ionic liquids
  58. Volatility of Aprotic Ionic Liquids — A Review
  59. On the Role of the Dipole and Quadrupole Moments of Aromatic Compounds in the Solvation by Ionic Liquids
  60. Densities and refractive indices of imidazolium- and phosphonium-based ionic liquids: Effect of temperature, alkyl chain length, and anion
  61. What Far‐Infrared Spectra Can Contribute to the Development of Force Fields for Ionic Liquids Used in Molecular Dynamics Simulations
  62. Phase Equilibria in Ionic Liquid−Aromatic Compound Mixtures, Including Benzene Fluorination Effects
  63. 1-Alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [CnH2n+1mim][CkH2k+1SO3]: synthesis and physicochemical properties
  64. New catanionic surfactants based on 1-alkyl-3-methylimidazolium alkylsulfonates, [CnH2n+1mim][CmH2m+1SO3]: mesomorphism and aggregation
  65. Thermodynamics and Micro Heterogeneity of Ionic Liquids
  66. Molecular Dynamics Simulations of Porphyrin−Dendrimer Systems: Toward Modeling Electron Transfer in Solution
  67. Potential Energy Landscape of Bis(fluorosulfonyl)amide
  68. On the Self-Aggregation and Fluorescence Quenching Aptitude of Surfactant Ionic Liquids
  69. Molecular Force Field for Ionic Liquids IV:  Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions
  70. Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η5-C5H4CH3)2and Fe[(η5-(C5H
  71. Pressure−Density−Temperature (p−ρ−T) Surface of [C6mim][NTf2]
  72. ChemInform Abstract: Molecular Solutes in Ionic Liquids: A Structural Perspective
  73. ChemInform Abstract: Accounting for the Unique, Doubly Dual Nature of Ionic Liquids from a Molecular Thermodynamic and Modeling Standpoint
  74. A Tale of Two Ions:  The Conformational Landscapes of Bis(trifluoromethanesulfonyl)amide and N,N-Dialkylpyrrolidinium
  75. Solubility of fluorinated compounds in a range of ionic liquids. Cloud-point temperature dependence on composition and pressure
  76. Intra- and Intermodular Structure of Ionic Liquids: From Conformers to Nanostructures
  77. Molecular Dynamics Simulations of Charged Dendrimers:  Low-to-Intermediate Half-Generation PAMAMs
  78. Salting-out in Aqueous Solutions of Ionic Liquids and K3PO4: Aqueous Biphasic Systems and Salt Precipitation
  79. Molecular Solutes in Ionic Liquids: A Structural Perspective
  80. Ionic Liquids in Polyethylene Glycol Aqueous Solutions: Salting-in and Salting-out Effects
  81. Accounting for the Unique, Doubly Dual Nature of Ionic Liquids from a Molecular Thermodynamic and Modeling Standpoint
  82. Nicotine:  On the Potential Role of Ionic Liquids for Its Processing and Purification
  83. The Nature of Ionic Liquids in the Gas Phase
  84. Molecular dynamics simulations of monoclinic calcium apatites: A universal equation of state
  85. Salting-Out Effects in Aqueous Ionic Liquid Solutions:  Cloud-Point Temperature Shifts
  86. Ionic Liquids:  First Direct Determination of their Cohesive Energy
  87. An All-Atom Force Field for Metallocenes
  88. Fluid-Phase Behavior of {1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide, [C6mim][NTf2], + C2−C8 n-Alcohol} Mixtures:  Liquid−Liquid Equilibrium and Excess Volumes
  89. Molecular Force Field for Ionic Liquids III:  Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions
  90. Nonpolar, Polar, and Associating Solutes in Ionic Liquids
  91. Molecular Dynamics Study of the Thermodynamic Properties of Calcium Apatites. Part 2. Monoclinic Phases.
  92. Using Spectroscopic Data on Imidazolium Cation Conformations To Test a Molecular Force Field for Ionic Liquids
  93. Molecular dynamics simulations of molten calcium hydroxyapatite
  94. Molecular Dynamics Study of the Thermodynamic Properties of Calcium Apatites. 2. Monoclinic Phases
  95. A Molecular Dynamics Study of the Thermodynamic Properties of Calcium Apatites. Part 1. Hexagonal Phases.
  96. The distillation and volatility of ionic liquids
  97. Nanostructural Organization in Ionic Liquids
  98. Energetics of the Thermal Dimerization of Acenaphthylene to Heptacyclene
  99. Condensed phase behaviour of ionic liquid–benzene mixtures: congruent melting of a [emim][NTf2]·C6H6inclusion crystal
  100. A Molecular Dynamics Study of the Thermodynamic Properties of Calcium Apatites. 1. Hexagonal Phases
  101. On the Critical Temperature, Normal Boiling Point, and Vapor Pressure of Ionic Liquids
  102. Deviations from Ideality in Mixtures of Two Ionic Liquids Containing a Common Ion
  103. Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions
  104. Modeling Ionic Liquids Using a Systematic All-Atom Force Field
  105. Modeling Ionic Liquids Using a Systematic All-Atom Force Field
  106. On the classification and representation of ternary phase diagrams: The yin and yang of a T–x approach
  107. Isotopic krypton mixtures revisited: Vapor pressure isotope effects
  108. Solubility isotope effects in aqueous solutions of methane
  109. Microphase separation in mixtures of Lennard-Jones particles
  110. Deviations from ideal behavior in isotopic mixtures of ammonia
  111. Three-phase osmotic equilibria using the Gibbs ensemble simulation method
  112. Three-phase osmotic equilibria using the Gibbs ensemble simulation method
  113. Non-ideality of an “ideal’' liquid mixture: (36Ar + 40Ar)
  114. The building-up of phase diagrams
  115. Phase equilibra in binary Lennard-Jones mixtures: phase diagram simulation
  116. Multiphase equilibria using the Gibbs ensemble Monte Carlo method
  117. Simulation and Modeling in Computational Chemistry: A Molecular Portfolio