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117,641 to 117,650 of 117,724 Results
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
index_unmodified.ndx
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 2.2 MB - MD5: bbbb0ff29c5d2178a5b75e53d4a93ae7
Index file of the simulation box of the unmodified pore in .ndx format
min.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 985 B - MD5: 48bde63734885a85c1f7cd7b15ce37e6
Simulation parameter file of the energy-minimization step in .mdp format
nvt.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 1.8 KB - MD5: bc54a46eeba897030515cb52d6fcb973
Simulation parameter file of the equilibration step in .mdp format
productmmc.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 3.3 KB - MD5: 18a33a934ad3e5dfecf098bf5c8f2dbf
Cartesian coordinates of a single product molecule in .gro format
productmmc.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 35.0 KB - MD5: 4f6b11f2750f73645685ba4ed0cfbf4b
Topology file of a Product molecule in .itp format
run.mdp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 1.8 KB - MD5: 74ddd4b640613458c341b30275af14a1
Simulation parameter file of the production step in .mdp format
silylg.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 6.4 KB - MD5: da014dfbbad7ac4cbe264bd92651c20f
Topology file of a geminal TMS surface molecule in .itp format
silyl.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: a6a0969c4ea2b990afceb97e6031fe20
Topology file of a TMS surface molecule in .itp format
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