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Jupyter Notebook - 13.7 KB -
MD5: dacad485cece6350acf08afa30461e19
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application/x-yaml - 8.5 KB -
MD5: 86f5d2848b4668165c8e936214efed7f
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Jupyter Notebook - 17.6 KB -
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MS Excel Spreadsheet - 49.1 KB -
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Dec 22, 2023 - SFB 1333 C6 - Holm group, ICP
Tischler, Ingo; Schlaich, Alexander; Holm, Christian, 2023, "Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"", https://doi.org/10.18419/DARUS-3642, DaRUS, V1
The simulation scripts and the simulation data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: compressed (tar) text data files and python scripts. The structure within the tar file is a... |
Dec 22, 2023 -
Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"
Python Source Code - 16.4 KB -
MD5: 75528c32f447f4c2ee1c19e59225bd9e
Calculates the selectivity from the simulation data |
Dec 22, 2023 -
Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"
text/x-patch - 1.3 KB -
MD5: f46b843312064516115979b0e5bd99a8
Patch to adjust the collision detection |
Dec 22, 2023 -
Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"
Unknown - 143.7 KB -
MD5: 4595d91ab86d4f62e1ad22dca4680f6c
Condorscript to run the simulations |
