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331 to 340 of 587 Results

350_pnp_60.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 1.5 KB - MD5: 847bbc4a2ee6fd3a7e43f4edc661f11e Main topology file of the simulation box of the pore without surface functionalization with 60 p-nitrophenol molecules in water simulated at 350 K in .top format.
350_slit_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 - 10.8 MB - MD5: 949be15e03e2dcf5b1dfe501747f67f7 Cartesian coordinates of the simulation box of the slit-pore without surface functionalization with 30 Benzene molecules in water simulated at 350 K in .gro format.
350_slit_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: e6b2ef9bc0a12b4b1890fa09225f41b2 Index file of the simulation box of the slit-pore without surface functionalization with 30 Benzene molecules in water simulated at 350 K in .ndx format.
350_slit_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 - 1.5 KB - MD5: e7ade24dcab5f29cc94cb8cbe18c88f5 Main topology file of the simulation box of the slit-pore without surface functionalization with 30 Benzene molecules in water simulated at 350 K in .top format.
350_slit_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 - 7.0 MB - MD5: 3408733f1d7f86fba0966130f61ed4cb Cartesian coordinates of the simulation box of the slit-pore without surface functionalization with 60 Benzene molecules in water simulated at 350 K in .gro format.
350_slit_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 - 3.1 MB - MD5: e372a241887ac841be6e6d6505b36273 Index file of the simulation box of the slit-pore without surface functionalization with 60 Benzene molecules in water simulated at 350 K in .ndx format.
350_slit_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 - 1.5 KB - MD5: 8f071c5e1bcd79dc9eec3488637c7190 Main topology file of the simulation box of the slit-pore without surface functionalization with 60 Benzene molecules in water simulated at 350 K in .top format.
350_slit_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 - 10.8 MB - MD5: af7e41d35f6bf912254d43223e4c4601 Cartesian coordinates of the simulation box of the slit-pore without surface functionalization with 180 Benzene molecules in water simulated at 350 K in .gro format.
350_slit_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 - 3.1 MB - MD5: 8bf96171f33ff0279bf17c07d4f2e2a3 Index file of the simulation box of the slit-pore without surface functionalization with 180 Benzene molecules in water simulated at 350 K in .ndx format.
350_slit_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 - 1.5 KB - MD5: 3707af08ce5bf559485a40edde8e6612 Main topology file of the simulation box of the slit-pore without surface functionalization with 180 Benzene molecules in water simulated at 350 K in .top format.

350_pnp_60.top

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

Unknown - 1.5 KB -

Main topology file of the simulation box of the pore without surface functionalization with 60 p-nitrophenol molecules in water simulated at 350 K in .top format.

350_slit_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 - 10.8 MB -

Cartesian coordinates of the simulation box of the slit-pore without surface functionalization with 30 Benzene molecules in water simulated at 350 K in .gro format.

350_slit_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 without surface functionalization with 30 Benzene molecules in water simulated at 350 K in .ndx format.

350_slit_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 - 1.5 KB -

Main topology file of the simulation box of the slit-pore without surface functionalization with 30 Benzene molecules in water simulated at 350 K in .top format.

350_slit_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 - 7.0 MB -

Cartesian coordinates of the simulation box of the slit-pore without surface functionalization with 60 Benzene molecules in water simulated at 350 K in .gro format.

350_slit_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 - 3.1 MB -

Index file of the simulation box of the slit-pore without surface functionalization with 60 Benzene molecules in water simulated at 350 K in .ndx format.

350_slit_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 - 1.5 KB -

Main topology file of the simulation box of the slit-pore without surface functionalization with 60 Benzene molecules in water simulated at 350 K in .top format.

350_slit_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 - 10.8 MB -

Cartesian coordinates of the simulation box of the slit-pore without surface functionalization with 180 Benzene molecules in water simulated at 350 K in .gro format.

350_slit_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 - 3.1 MB -

Index file of the simulation box of the slit-pore without surface functionalization with 180 Benzene molecules in water simulated at 350 K in .ndx format.

350_slit_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 - 1.5 KB -

Main topology file of the simulation box of the slit-pore without surface functionalization with 180 Benzene molecules in water simulated at 350 K in .top format.

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