KoBra: A rate constant method for prediction of the diffusion of sorbates inside nanoporous materials at different loadings
Author:
Affiliation:
1. School of Chemical Engineering; National Technical University of Athens, Zografou Campus; GR-15780 Athens Greece
2. Institute of Physics; National Academy of Sciences of Ukraine; 03028 Kiev Ukraine
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25857/fullpdf
Reference51 articles.
1. Diffusion in Nanoporous Materials
2. Toward a Database of Hypothetical Zeolite Structures
3. Large-scale screening of hypothetical metal–organic frameworks
4. Zeolite Chemistry and Catalysis
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