1 to 10 of 21 Results
application/vnd.shana.informed.formtemplate - 6.3 KB -
MD5: c2286257447efbb1be7eb32372378a14
Topology file of a benzene molecule in .itp format. |
application/vnd.shana.informed.formtemplate - 2.0 KB -
MD5: a6dedcb3ffc530683aa2b8e5719dee2d
Topology file of an ethene molecule in .itp format. |
application/vnd.shana.informed.formtemplate - 1.6 KB -
MD5: b761c8afe21af2f07235ff893ccdf671
Topology file of all used grid-molecules in .itp format. |
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. |
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. |
application/vnd.shana.informed.formtemplate - 37.2 KB -
MD5: 6703358a7a27758f28242718dd0a53be
Topology file of a product molecule in .itp format. In the manuscript, this structure is referred to as product 8. |
application/vnd.shana.informed.formtemplate - 1.1 KB -
MD5: 1b23bdde4167e4020acac09cd3354bfc
Topology file of a deactivated silanol surface molecule (single and geminal) in .itp format. |
application/vnd.shana.informed.formtemplate - 38.6 KB -
MD5: df0129b9b2be39e066f3c122f1d3648e
Topology file of a substrate molecule in .itp format. In the manuscript, this structure is referred to as substrate 4. |
application/vnd.shana.informed.formtemplate - 6.2 KB -
MD5: 4eca8f88c1035565949344adddfbf241
Topology file of a geminal TMS surface molecule in .itp format. |
application/vnd.shana.informed.formtemplate - 5.6 KB -
MD5: abe65c6adcef5b22f2544db9e282479d
Topology file of a TMS surface molecule in .itp format. |