All Stories

  1. High-throughput screening of hypothetical zeolites
  2. NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates
  3. Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models
  4. Assessing Local Structure Motifs Using Order Parameters for Motif Recognition, Interstitial Identification, and Diffusion Path Characterization
  5. History and Utility of Zeolite Framework-Type Discovery from a Data-Science Perspective
  6. Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates
  7. Transport in Nanoporous Materials Including MOFs: The Applicability of Fick’s Laws
  8. Transport in nanoporösen Materialien, einschließlich MOFs: über die Anwendbarkeit der Fickschen Gesetze
  9. Transport into Nanosheets: Diffusion Equations Put to Test
  10. Predicting Local Transport Coefficients at Solid–Gas Interfaces
  11. Surface Barriers of Hydrocarbon Transport Triggered by Ideal Zeolite Structures
  12. Adsorption and diffusion in zeolites: the pitfall of isotypic crystal structures
  13. In-Depth Study of the Influence of Host−Framework Flexibility on the Diffusion of Small Gas Molecules in One-Dimensional Zeolitic Pore Systems
  14. On the Effects of the External Surface on the Equilibrium Transport in Zeolite Crystals
  15. Path Sampling Calculation of Methane Diffusivity in Natural Gas Hydrates from a Water-Vacancy Assisted Mechanism
  16. In-Depth Study of the Influence of Host−Framework Flexibility on the Diffusion of Small Gas Molecules in One-Dimensional Zeolitic Pore Systems