Formation of Low-Density Water Clusters in the Silicalite-1 Cage: A Molecular Dynamics Study
Author:
Affiliation:
1. Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand, and Department of Molecule Dynamics/Computer Simulations, Faculty of Physics and Geoscience, University of Leipzig, Linnéstr.5,04103, Leipzig, Germany
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp035151d
Reference38 articles.
1. Ammonia-Promoted Rhenium-Cluster Formation in CH3ReO3-Encapsulated H-ZSM-5 Relevant to the Performance of the Catalytically Selective Oxidation/Ammoxidation of Propene
2. Physicochemical Characterization of Isomorphously Substituted FeZSM-5 during Activation
3. Faujasite-Supported Ir4 Clusters: A Density Functional Model Study of Metal−Zeolite Interactions
4. 1H NMR studies of the adsorption of water on silicalite
5. On the diffusion of water in silicalite-1: MD simulations using ab initio fitted potential and PFG NMR measurements
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