Institute of Thermodynamics and Thermal Process Engineering

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7,711 to 7,720 of 8,106 Results

pore_system_clear_slit.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 6.4 MB - MD5: be14637433c9016bd048b41a72c243f2 PoreMS object file of the slit-pore system without functionalization in pickle format protocol version 3.
pore_system_huq_11.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 5.0 MB - MD5: 88eb03e990c4e2654949b971b2113f14 PoreMS object file of the pore system with 11beta-CD molecules attached to the surface using the Huq linker in pickle format protocol version 3.
pore_system_trofy_05.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 4.9 MB - MD5: f80149a822a846f8e56dcff776d105e4 PoreMS object file of the pore system with 5 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.
pore_system_trofy_11.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 5.1 MB - MD5: 3ecf2e68c1d163fdb8ded2dc549620a7 PoreMS object file of the pore system with 11 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.
pore_system_trofy_11_slit.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 6.6 MB - MD5: 78475b9ea46eece11b47a7c395bc91cc PoreMS object file of the slit-pore system with 11 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.
pore_trofy_05.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 4.8 MB - MD5: fd7523747b860b2db2ab1cb698271456 PoreMS object file of the pore with 5 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.
pore_trofy_11.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 4.9 MB - MD5: 764a274d12c2c5c022a7d1b7fe9ef26e PoreMS object file of the pore with 11 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.
pore_trofy_11_slit.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 6.6 MB - MD5: 0c3d78aba608115893578b24ec15907d PoreMS object file of the slit-pore with 11 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.
propylamineg.itp Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' application/vnd.shana.informed.formtemplate - 5.6 KB - MD5: a108317899fe10f8abee677cc03d625f Topology file of a geminal propyl-amine surface molecule in .itp format.
propylamine.gro Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Unknown - 650 B - MD5: f1892d7866142767ef78c7da369c1bb9 Cartesian coordinates of a propyl-amine surface molecule in .gro format.

pore_system_clear_slit.pms

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

TGIF File - 6.4 MB -

PoreMS object file of the slit-pore system without functionalization in pickle format protocol version 3.

pore_system_huq_11.pms

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

TGIF File - 5.0 MB -

PoreMS object file of the pore system with 11beta-CD molecules attached to the surface using the Huq linker in pickle format protocol version 3.

pore_system_trofy_05.pms

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

TGIF File - 4.9 MB -

PoreMS object file of the pore system with 5 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.

pore_system_trofy_11.pms

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

TGIF File - 5.1 MB -

PoreMS object file of the pore system with 11 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.

pore_system_trofy_11_slit.pms

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

TGIF File - 6.6 MB -

PoreMS object file of the slit-pore system with 11 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.

pore_trofy_05.pms

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

TGIF File - 4.8 MB -

PoreMS object file of the pore with 5 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.

pore_trofy_11.pms

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

TGIF File - 4.9 MB -

PoreMS object file of the pore with 11 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.

pore_trofy_11_slit.pms

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

TGIF File - 6.6 MB -

PoreMS object file of the slit-pore with 11 beta-CD molecules attached to the surface using the Trofymchuk linker in pickle format protocol version 3.

propylamineg.itp

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

application/vnd.shana.informed.formtemplate - 5.6 KB -

Topology file of a geminal propyl-amine surface molecule in .itp format.

propylamine.gro

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

Unknown - 650 B -

Cartesian coordinates of a propyl-amine surface molecule in .gro format.

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