Dynamical Host/Guest Interactions in Zeolites: Framework Isotope Effects on Proton Transfer Studied by Car−Parrinello Molecular Dynamics
Author:
Affiliation:
1. Dip. di Chimica, Fisica, Matematica, Università degli Studi dell'Insubria, Sede di Como, Via Lucini 3, I-22100 Como, Italy
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/jp981569d
Reference28 articles.
1. Natural Zeolites
2. Molecular dynamics studies on zeolites. 6. Temperature dependence of diffusion of methane in silicalite
3. Diffusion and vibrational relaxation of a diatomic molecule in the pore network of a pure silica zeolite: A molecular dynamics study
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