All primary data files of published research from CRC 1333, e.g. from journal articles.
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18,181 to 18,190 of 18,200 Results
box_unmodified.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 4.1 MB - MD5: a00ce977879ba4ac47e81656a0d06ebc
Cartesian coordinates of the simulation box of the unmodified pore in .gro format
catabmg.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 32.5 KB - MD5: 32fcb79328e9e8da682137b528ca0dd7
Topology file of a geminal catalyst surface molecule in .itp format
catabm.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 31.9 KB - MD5: 2ec1eabad2573201009e8f3464c1132d
Topology file of a catalyst surface molecule in .itp format
dmdmsg.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 6.5 KB - MD5: 259dd2d1b215780e51ae06b4aee030ba
Topology file of a geminal DMDMS surface molecule in .itp format
dmdms.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 5.9 KB - MD5: cd0555ed21d0a75c81a0bea327e3adfc
Topology file of a DMDMS surface molecule in .itp format
eductl.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 3.5 KB - MD5: 9354231ac2c4761b2d41aa620aafcbbd
Cartesian coordinates of a single substrate molecule in .gro format
eductl.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 36.4 KB - MD5: a0ccee16b65501b36b13f7dbdd6619a3
Topology file of a Substrate molecule in .itp format
grid_modified.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 3.9 KB - MD5: 5a95ecc1bdaeda880a3a68da4d6e04a8
Topology file of all used grid-molecules of the modified pore in .itp format
grid_unmodified.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 3.9 KB - MD5: f76401a95258ba624911dd3d7a8cdc9e
Topology file of all used grid-molecules of the unmodified pore in .itp format
index_modified.ndx
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 2.3 MB - MD5: eeb23825fa2b6232131b12fd57c61f8a
Index file of the simulation box of the modified pore in .ndx format
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