All Stories

  1. A Molecular Dynamics Simulation Study on Separation Selectivity of CO2/CH4 Mixture in Mesoporous Carbons
  2. Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings
  3. Heat transport through a solid–solid junction: the interface as an autonomous thermodynamic system
  4. The mechanism of the initial step of germanosilicate formation in solution: a first-principles molecular dynamics study
  5. A test on reactive force fields for the study of silica dimerization reactions
  6. Mechanical instability of monocrystalline and polycrystalline methane hydrates
  7. Finite-size and truncation effects for microscopic expressions for the temperature at equilibrium and nonequilibrium
  8. Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water
  9. Effects of wet torrefaction on pyrolysis of woody biomass fuels
  10. Aromatic Gain in a Supramolecular Polymer
  11. Aromatic Gain in a Supramolecular Polymer
  12. Graphene coatings for chemotherapy: avoiding silver-mediated degradation
  13. Influence of Curvature on the Transfer Coefficients for Evaporation and Condensation of Lennard-Jones Fluid from Square-Gradient Theory and Nonequilibrium Molecular Dynamics
  14. Heat and Mass Transfer across Interfaces in Complex Nanogeometries
  15. Low barriers for hydrogen diffusion in sII clathrate
  16. The role of a structure directing agent tetramethylammonium template in the initial steps of silicate oligomerization in aqueous solution
  17. Simulation of Pore Width and Pore Charge Effects on Selectivities of CO2 vs. H2 from a Syngas-like Mixture in Carbon Mesopores
  18. Non-isothermal pyrolysis of torrefied stump – A comparative kinetic evaluation
  19. Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics: A systematic study of several common force fields
  20. Bridging scales with thermodynamics: from nano to macro
  21. On the relation between the Langmuir and thermodynamic flux equations
  22. Clarifying the role of sodium in the silica oligomerization reaction
  23. Selectivity and self-diffusion of CO2 and H2 in a mixture on a graphite surface
  24. Reply to “Comment on 'Structure-Directing Role of Counterions in the Initial Stage of Zeolite Synthesis”
  25. The initial step of silicate versus aluminosilicate formation in zeolite synthesis: a reaction mechanism in water with a tetrapropylammonium template
  26. Structure-Directing Role of Counterions in the Initial Stage of Zeolite Synthesis
  27. Mechanism of the Initial Stage of Silicate Oligomerization
  28. Effect of Counter Ions on the Silica Oligomerization Reaction
  29. Role of Water in Silica Oligomerization
  30. The role of water in silicate oligomerization reaction
  31. Mechanism of Oligomerization Reactions of Silica