Molecular Simulation

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341 to 350 of 587 Results

350_slit_trofy_11_ben_030.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: 10f54fa36773cca1fd92484c945ce6cc Cartesian coordinates of the simulation box of the slit-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_030.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: 7ddc545c5f394b932eadb2dd726ffc77 Index file of the simulation box of the slit-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 .ndx format.
350_slit_trofy_11_ben_030.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: 66e15c4865ef6cd7817da18d68c3f5af 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 30 Benzene molecules in water simulated at 350 K in .top format.
350_slit_trofy_11_ben_060.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 7.1 MB - MD5: aec5e5724f8ee248ea00eb7ab3a14798 Cartesian coordinates of the simulation box of the slit-pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 60 Benzene molecules in water simulated at 350 K in .gro format.
350_slit_trofy_11_ben_060.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: 8eea8baeffe2009ba4fb2f1ab0f6911f Index file of the simulation box of the slit-pore with 11 beta-CD molecules attached to the surface using a Trofymchuk linker with 60 Benzene molecules in water simulated at 350 K in .ndx format.
350_slit_trofy_11_ben_060.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: 7b020bf9da53669492ad45772ca1a471 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 60 Benzene molecules in water simulated at 350 K in .top 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 - 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_slit_trofy_11_ben_030.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 30 Benzene molecules in water simulated at 350 K in .gro format.

350_slit_trofy_11_ben_030.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 30 Benzene molecules in water simulated at 350 K in .ndx format.

350_slit_trofy_11_ben_030.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 30 Benzene molecules in water simulated at 350 K in .top format.

350_slit_trofy_11_ben_060.gro

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

Unknown - 7.1 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 60 Benzene molecules in water simulated at 350 K in .gro format.

350_slit_trofy_11_ben_060.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 60 Benzene molecules in water simulated at 350 K in .ndx format.

350_slit_trofy_11_ben_060.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 60 Benzene molecules in water simulated at 350 K in .top 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.

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