Institute of Thermodynamics and Thermal Process Engineering

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7,621 to 7,630 of 8,109 Results

350_huq_11_pnp_10.ndx Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 1.7 MB - MD5: 21ba375104e059b4557577c48ad7e016 Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 10 p-nitrophenol molecules in water simulated at 350 K in .ndx format.
350_huq_11_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 - 2.5 KB - MD5: 9e7dba0f27addb2e495c012a9236c4f7 Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 10 p-nitrophenol molecules in water simulated at 350 K in .top format.
350_huq_11_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: 8944b0757b4e87e489a77601cc0545ca Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 20 p-nitrophenol molecules in water simulated at 350 K in .gro format.
350_huq_11_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 - 1.7 MB - MD5: 4f5c039fb0deb4a9bc42de5a1a9f4aa5 Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 20 p-nitrophenol molecules in water simulated at 350 K in .ndx format.
350_huq_11_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 - 2.5 KB - MD5: 3665fca28cfeeefa2a5e36bb77fac064 Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 20 p-nitrophenol molecules in water simulated at 350 K in .top format.
350_huq_11_pnp_30.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.3 MB - MD5: ca0b89e6d3f29f3cce02d06ed206ceea Cartesian coordinates of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 30 p-nitrophenol molecules in water simulated at 350 K in .gro format.
350_huq_11_pnp_30.ndx Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 1.7 MB - MD5: 091513d3169a8e8ca647ea6e5e11cc3c Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 30 p-nitrophenol molecules in water simulated at 350 K in .ndx format.
350_huq_11_pnp_30.top Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 2.5 KB - MD5: 3a3319557f09870fa59c5b4e140a42fc Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 30 p-nitrophenol molecules in water simulated at 350 K in .top format.
350_pnp_10.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 4.3 MB - MD5: 6cc321997a03833f2a8d3288a5de2ba8 Cartesian coordinates of the simulation box of the pore without surface functionalization with 10 p-nitrophenol molecules in water simulated at 350 K in .gro format.
350_pnp_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: 36add8ef568b5a9c9cffc82f2cd076bf Index file of the simulation box of the pore without surface functionalization with 10 p-nitrophenol molecules in water simulated at 350 K in .ndx format.

350_huq_11_pnp_10.ndx

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

Unknown - 1.7 MB -

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

350_huq_11_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 - 2.5 KB -

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

350_huq_11_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 with 11 beta-CD molecules attached to the surface using a Huq linker with 20 p-nitrophenol molecules in water simulated at 350 K in .gro format.

350_huq_11_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 - 1.7 MB -

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

350_huq_11_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 - 2.5 KB -

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

350_huq_11_pnp_30.gro

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

Unknown - 4.3 MB -

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

350_huq_11_pnp_30.ndx

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

Unknown - 1.7 MB -

Index file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 30 p-nitrophenol molecules in water simulated at 350 K in .ndx format.

350_huq_11_pnp_30.top

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

Unknown - 2.5 KB -

Main topology file of the simulation box of the pore with 11 beta-CD molecules attached to the surface using a Huq linker with 30 p-nitrophenol molecules in water simulated at 350 K in .top format.

350_pnp_10.gro

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

Unknown - 4.3 MB -

Cartesian coordinates of the simulation box of the pore without surface functionalization with 10 p-nitrophenol molecules in water simulated at 350 K in .gro format.

350_pnp_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 without surface functionalization with 10 p-nitrophenol molecules in water simulated at 350 K in .ndx format.

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