All Stories

  1. p-glycoprotein inhibition by new derivative
  2. Transport, thermodynamic, and structural properties of rare earth zirconia-based electrolytes by molecular dynamics simulation
  3. Identification of the coke deposited on 13X industrial zeolite molecular sieves during mercaptan removal process
  4. Carbon dioxide in monoethanolamine: Interaction and its effect on structural and dynamic properties by molecular dynamics simulation
  5. Structural View of Hydrophobic Ionic Liquid on Graphene: Comparing Static and Ab Initio Computer Simulations
  6. Magnetic effects on the solvent properties investigated by molecular dynamics simulation
  7. Thermodynamic properties for liquid mercury using GMA equation of state
  8. The Structure of Supported Ionic Liquids at the Interface
  9. Studies of structural, dynamical, and interfacial properties of 1-alkyl-3-methylimidazolium iodide ionic liquids by molecular dynamics simulation
  10. Molecular dynamics simulation studies of some new aspects of structural and dynamical properties of n-butyl formate at varying temperature
  11. A perturbed hard-sphere equation of state for liquid metals
  12. Physisorption of Hydrophobic and Hydrophilic 1-Alkyl-3-methylimidazolium Ionic Liquids on the Graphenes
  13. The extent of molecular orientation at liquid/vapor interface of pyridine and its alkyl derivatives by molecular dynamics simulation
  14. Critical-Point Temperature of Ionic Liquids from Surface Tension at Liquid−Vapor Equilibrium and the Correlation with the Interaction Energy
  15. Temperature-Dependent Density and Viscosity of the Ionic Liquids 1-Alkyl-3-methylimidazolium Iodides: Experiment and Molecular Dynamics Simulation
  16. Synthesis, characterization, ab initio calculations, thermal behaviour and thermodynamics of some oxovanadium(IV) complexes involving O,O- and N,N-donor moieties
  17. Temperature dependence of viscosity and relation with the surface tension of ionic liquids
  18. Prediction of the volumetric and thermodynamic properties of some refrigerants using GMA equation of state
  19. Prediction of thermodynamic properties of some hydrofluoroether refrigerants using a new equation of state