Institute of Thermodynamics and Thermal Process Engineering

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7,631 to 7,640 of 8,109 Results

350_pnp_10.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: 458e6f101b11abf7e98bd5146739ad2e Main topology file of the simulation box of the pore without surface functionalization with 10 p-nitrophenol molecules in water simulated at 350 K in .top format.
350_pnp_20.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.3 MB - MD5: f9abcbc6511ee572ee6f9f4b5f70d776 Cartesian coordinates of the simulation box of the pore without surface functionalization with 20 p-nitrophenol molecules in water simulated at 350 K in .gro format.
350_pnp_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: 3b3c4bffb0d89ecd6bcfe88b8b4046eb Index file of the simulation box of the pore without surface functionalization with 20 p-nitrophenol molecules in water simulated at 350 K in .ndx format.
350_pnp_20.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: 1acbf7189519f92436c9eccbf48d2449 Main topology file of the simulation box of the pore without surface functionalization with 20 p-nitrophenol molecules in water simulated at 350 K in .top format.
350_pnp_60.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.3 MB - MD5: a27ebd7a8dfafa58a44c11968ff2bc39 Cartesian coordinates of the simulation box of the pore without surface functionalization with 60 p-nitrophenol molecules in water simulated at 350 K in .gro format.
350_pnp_60.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: ca77076f5c2181ebda7fd19477dd9dfd Index file of the simulation box of the pore without surface functionalization with 60 p-nitrophenol molecules in water simulated at 350 K in .ndx 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 - 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_pnp_10.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 10 p-nitrophenol molecules in water simulated at 350 K in .top format.

350_pnp_20.gro

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

Unknown - 4.3 MB -

Cartesian coordinates of the simulation box of the pore without surface functionalization with 20 p-nitrophenol molecules in water simulated at 350 K in .gro format.

350_pnp_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 without surface functionalization with 20 p-nitrophenol molecules in water simulated at 350 K in .ndx format.

350_pnp_20.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 20 p-nitrophenol molecules in water simulated at 350 K in .top format.

350_pnp_60.gro

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

Unknown - 4.3 MB -

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

350_pnp_60.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 without surface functionalization with 60 p-nitrophenol molecules in water simulated at 350 K in .ndx 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.

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