SFB 1333 C5 - Groß/ Hansen group, ITT

In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.

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7,271 to 7,280 of 7,624 Results

350_slit_trofy_11_ben_180.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 10.9 MB - MD5: 8e144800b1b2c3641d3613eb5177b644 Cartesian coordinates of the simulation box of the slit-pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 180 Benzene molecules in water simulated at 350 K in .gro format.
350_slit_trofy_11_ben_180.ndx Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 3.2 MB - MD5: 08649e694e5d59546e67a430b13cc483 Index file of the simulation box of the slit-pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 180 Benzene molecules in water simulated at 350 K in .ndx format.
350_slit_trofy_11_ben_180.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 2.7 KB - MD5: eecb2df0606a53355bcd8606e11b6743 Main topology file of the simulation box of the slit-pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 180 Benzene molecules in water simulated at 350 K in .top format.
350_trofy_11_ben_10.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.2 MB - MD5: e1905ac308cb3c3bddd2a3edccc23b7b Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .gro format.
350_trofy_11_ben_10.ndx Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 1.3 MB - MD5: 5adb0554041a0df2a8f6ed19207ae9fa Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .ndx format.
350_trofy_11_ben_10.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 2.6 KB - MD5: 793eb68c29f5349738d35800b94abd77 Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .top format.
350_trofy_11_ben_20.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.2 MB - MD5: 60e91bf60678cda2d89dfe26be535bf0 Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .gro format.
350_trofy_11_ben_20.ndx Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 1.3 MB - MD5: de970754138e15285ff2069afb65f405 Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .ndx format.
350_trofy_11_ben_20.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 2.6 KB - MD5: 62c192820fc9b392c599f504e1938036 Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .top format.
350_trofy_11_ben_30.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.2 MB - MD5: 527e2a9d4c32f7863361ad783c190efb Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 30 Benzene molecules in water simulated at 350 K in .gro format.

350_slit_trofy_11_ben_180.gro

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 10.9 MB -

Cartesian coordinates of the simulation box of the slit-pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 180 Benzene molecules in water simulated at 350 K in .gro format.

350_slit_trofy_11_ben_180.ndx

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 3.2 MB -

Index file of the simulation box of the slit-pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 180 Benzene molecules in water simulated at 350 K in .ndx format.

350_slit_trofy_11_ben_180.top

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 2.7 KB -

Main topology file of the simulation box of the slit-pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 180 Benzene molecules in water simulated at 350 K in .top format.

350_trofy_11_ben_10.gro

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 4.2 MB -

Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .gro format.

350_trofy_11_ben_10.ndx

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 1.3 MB -

Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .ndx format.

350_trofy_11_ben_10.top

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 2.6 KB -

Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 10 Benzene molecules in water simulated at 350 K in .top format.

350_trofy_11_ben_20.gro

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 4.2 MB -

Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .gro format.

350_trofy_11_ben_20.ndx

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 1.3 MB -

Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .ndx format.

350_trofy_11_ben_20.top

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 2.6 KB -

Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 20 Benzene molecules in water simulated at 350 K in .top format.

350_trofy_11_ben_30.gro

Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'

Unknown - 4.2 MB -

Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 30 Benzene molecules in water simulated at 350 K in .gro format.

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