All primary data files of published research from CRC 1333, e.g. from journal articles.
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18,171 to 18,180 of 18,200 Results
SBA-15_62A_modified.qps
Dec 23, 2020 - Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization Data Buchmeiser
application/vnd.publishare-delta-tree - 32.8 KB - MD5: 4cf859c3f6e97d66939341fcb03004b1
SBA-15_62A_unmodified.qps
Dec 23, 2020 - Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization Data Buchmeiser
application/vnd.publishare-delta-tree - 32.8 KB - MD5: 3881befbe7e969f3c901877ac5ded950
Summary-Data see also Tables in SI.xlsx
Dec 23, 2020 - Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization Data Buchmeiser
MS Excel Spreadsheet - 139.0 KB - MD5: ef7047cdddf50c8ec2ccc6266e3f514b
Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'
Mar 20, 2020 - Molecular Simulation
Kraus, Hamzeh; Rybka, Julia, 2019, "Supplementary material for 'Olefin metathesis in confined geometries: a biomimetic approach towards selective macrocyclization'", https://doi.org/10.18419/DARUS-477, DaRUS, V2
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology and simulation parameter-files are provided for two simulations - an unmodified pore with a silanol surface and a modified pore with an unpolar DMDMS surface. Furthermore each pore has two catalytic centers placed point-symmetr...
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
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