Formation of Low-Density Water Clusters in the Silicalite-1 Cage: A Molecular Dynamics Study

This publication has 36 references indexed in Scilit:

• Behavior of Water in the Hydrophobic Zeolite Silicalite at Different Temperatures. A Molecular Dynamics Study
  The Journal of Physical Chemistry B, 2003
• Ammonia-Promoted Rhenium-Cluster Formation in CH₃ReO₃-Encapsulated H-ZSM-5 Relevant to the Performance of the Catalytically Selective Oxidation/Ammoxidation of Propene
  The Journal of Physical Chemistry B, 2002
• On the diffusion of water in silicalite-1: MD simulations using ab initio fitted potential and PFG NMR measurements
  Published by Elsevier ,2002
• Understanding the Movement, Encapsulation, and Energy Barrier of Water Molecule Diffusion into and in Silicalites Using Ab Initio Calculations
  The Journal of Physical Chemistry B, 2001
• Electric-field-dependent empirical potentials for molecules and crystals: A first application to flexible water molecule adsorbed in zeolites
  The Journal of Chemical Physics, 2000
• Molecular Dynamics Studies of Hydrated Zeolite 4A
  The Journal of Physical Chemistry B, 1999
• Faujasite-Supported Ir₄Clusters: A Density Functional Model Study of Metal−Zeolite Interactions
  The Journal of Physical Chemistry B, 1999
• Dynamics of Long n-Alkanes in Silicalite: A Hierarchical Simulation Approach
  The Journal of Physical Chemistry, 1996
• Potential maps of methane, water, and methanol in silicalite
  The Journal of Physical Chemistry, 1990
• A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters
  The Journal of Chemical Physics, 1982