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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... |
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 |
Dec 22, 2023 -
Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"
Python Source Code - 13.5 KB -
MD5: 03da318fe349a2b0ecf40a21181fc33f
Calculates the density distribution 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"
Python Source Code - 63.2 KB -
MD5: 8c2de977dfebeafabb492c7ec5707d2f
simulation script |
Dec 22, 2023 -
Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"
Gzip Archive - 1.6 GB -
MD5: ee6e9b1130fb5172dbe5d8d29ab1341b
Compressed simulation data and simulation checkpoints |
Dec 22, 2023 -
Replication data of C6 group for: "Disentanglement of surface and confinement effects for diene metathesis in mesoporous confinement"
Plain Text - 1.3 KB -
MD5: dd479ad50658b8a4997ee48a154e01eb
Readme file |
Nov 15, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Panyam, Pradeep Kumar Reddy; Buchmeiser, Michael, 2023, "Replication Data for: Effect of liquid confinement on regioselectivity in the hydrosilylation of alkynes with cationic Rh(i) N-heterocyclic carbene catalysts", https://doi.org/10.18419/darus-3741, DaRUS, V1
All primary data files related to the publication. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect... |
ZIP Archive - 12.5 KB -
MD5: 7c503a1bc6a4ab009b5339c922c76c68
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