Publication date: Mar 11, 2019
Data for the case study of TuTraSt on methane diffusion in zeolites, using a standard kinetic Monte Carlo simulation based on the output of our grid analysis. We find that it is accurate, fast, and rigorous without limitations to the geometries of the diffusion tunnels or transition states.
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File name | Size | Description |
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TuTraST_zeolite_methane.zip
MD5md5:d63ad75faf11376781bcdc3468b924b9
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287.8 MiB | Data underlying figure 7 in journal reference. |
README.txt
MD5md5:8e29acf176d83f6f4b9690e705e4abeb
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1.8 KiB | README |
2019.0011/v1 (version v1) [This version] | Mar 11, 2019 | DOI10.24435/materialscloud:2019.0011/v1 |