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1 to 10 of 26 Results
catabm.gro
Mar 20, 2020 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 3.4 KB - MD5: 57041007e0631df1bfa5f4935a999f4f
Cartesian coordinates of a catalyst surface molecule in .gro format
dmdms.gro
Mar 20, 2020 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 785 B - MD5: e7eac5fc8e31ace25e99d31aa32d81d9
Cartesian coordinates of a DMDMS surface molecule in .gro format
silyl.gro
Mar 20, 2020 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 740 B - MD5: 69eab5056e8b27de7dbecb218b6d2166
Cartesian coordinates of a TMS surface molecule in .gro format
benzene.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 605 B - MD5: 11bf526b4dbbd517250a07cf252851fb
Cartesian coordinates of a single benzene molecule in .gro format
benzene.itp
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
application/vnd.shana.informed.formtemplate - 5.1 KB - MD5: ace849e74d2259fa049abcdae648d92e
Topology file of a benzene molecule in .itp format
box_modified.gro
Dec 4, 2019 - Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Unknown - 4.3 MB - MD5: 25d4b0dd3d200ef34015872fd90eda43
Cartesian coordinates of the simulation box of the modified pore in .gro format
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
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