21 to 30 of 97 Results
Unknown - 3.1 KB -
MD5: 1f5fca83efd64015eb8892756fa3a26d
Cartesian coordinates of a molybdenum catalyst anion molecule in .gro format. In the manuscript, this structure is referred to as Mo1. |
application/vnd.shana.informed.formtemplate - 31.1 KB -
MD5: e0b3b5a9ae57d3292e21d9174b964cd2
Topology file of the molybdenum catalyst anion molecule in .itp format. In the manuscript, this structure is referred to as Mo1. |
Unknown - 4.3 KB -
MD5: 578637a1debaf32950f84bc0aa9fc091
Cartesian coordinates of a molybdenum catalyst cation surface molecule in .gro format. In the manuscript, this structure is referred to as Mo1. |
application/vnd.shana.informed.formtemplate - 48.3 KB -
MD5: 50cdbac4cae91f5e4161286de63db57b
Topology file of the molybdenum catalyst cation surface molecule in .itp format. In the manuscript, this structure is referred to as Mo1. |
Unknown - 1.7 KB -
MD5: 2ffb2a0b811949e253c8cd80039f2d6e
Simulation parameter file of the equilibration step in .mdp format. |
TGIF File - 9.0 MB -
MD5: b0a45deafd9d984994e483d8789413e0
PoreMS object file of the 2.5nm pore with 1 catalyst molecule containing all pore properties in pickle format protocol version 3. |
TGIF File - 9.1 MB -
MD5: c7cbd92790d65aa9e93e1ca0750fdea1
PoreMS object file of the 2.5nm pore with 2 catalyst molecules containing all pore properties in pickle format protocol version 3. |
TGIF File - 7.8 MB -
MD5: 15dfcc2ebb01b9e956f8d41f2cff72a8
PoreMS object file of the 5nm pore containing all pore properties in pickle format protocol version 3. |
TGIF File - 6.9 MB -
MD5: 080f17a913aef0854f5cf5ce2fa0064b
PoreMS object file of the 6nm pore containing all pore properties in pickle format protocol version 3. |
TGIF File - 8.9 MB -
MD5: 264655da00b94452aa95ad23d44d30b3
PoreMS object file of the 2.5nm pore with 1 catalyst molecule containing all pore system properties in pickle format protocol version 3. |