1 to 10 of 32 Results
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 |
Python Source Code - 4.0 KB -
MD5: 28fccaf3a93f62ff3ac4528afacf4d68
Analysis script to process the trajectories to gather the end to end distance distribution. |
Unknown - 4.1 KB -
MD5: 6bddff4d38d77d4f7c075b7cdb608a0a
Condor script to run the simulations |
Unknown - 55.3 KB -
MD5: 2e3c6b7974b0604fceae0632183a9afb
Condor script to run the simulations |