1 to 10 of 13 Results
application/vnd.shana.informed.formtemplate - 1.6 KB -
MD5: b761c8afe21af2f07235ff893ccdf671
Topology file of all used grid molecules of the pore system in .itp format. |
application/vnd.shana.informed.formtemplate - 5.6 KB -
MD5: a108317899fe10f8abee677cc03d625f
Topology file of a geminal propyl-amine surface molecule in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 5.1 KB -
MD5: 5465f18e1555ce4c21c6134541ef6018
Topology file of a benzene molecule in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 37.4 KB -
MD5: 1ded6eb78ff1e6249519ba0e9c7e97d7
Topology file of a geminal catalyst surface molecule in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 36.8 KB -
MD5: a1d962ba1d8fa2e824cf1e1c6ebfcbd0
Topology file of a catalyst surface molecule in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 28.0 KB -
MD5: 115b8f5993c8c9dc943d88dd414cbfc8
Topology file of a Substrate molecule in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 8.5 KB -
MD5: e792be7849e1273a5232435f4e352ff2
Topology file of a geminal epoxide-group surface molecule in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 7.9 KB -
MD5: 2eb43e04ac58917025fe42f5b86bf60f
Topology file of an epoxide-group surface molecule in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 3.9 KB -
MD5: e42d6ad3b517aa6f09d86409070eff96
Topology file of all used grid-molecules of the 6nm pore in .itp format. |
Jan 11, 2022 -
Supplementary material for 'Computational study of confinement effects in molecular heterogeneous catalysis'
application/vnd.shana.informed.formtemplate - 3.9 KB -
MD5: 46652fd8d0cdf79d3b25b1c4322013ed
Topology file of all used grid-molecules of the 9nm pore in .itp format. |