Molecular Simulation

Featured Dataverses

In order to use this feature you must have at least one published or linked dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

File Type: Image

1 to 10 of 21 Results

pore_clear.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 4.4 MB - MD5: 50481c8e23a696996e6ff51afbc5fc76 PoreMS object file of the pore without functionalization in pickle format protocol version 3.
pore_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 - 6.5 MB - MD5: 7677a08974492190a23ad857cd8856e7 PoreMS object file of the slit-pore without functionalization in pickle format protocol version 3.
pore_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 - 4.9 MB - MD5: 10ee44138ae50eeb0953cd448cfac005 PoreMS object file of the pore with 11 beta-CD molecules attached to the surface using the Huq linker in pickle format protocol version 3.
pore_system_clear.pms Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' TGIF File - 4.3 MB - MD5: ab7bee5183ee6b5b46dcd5ccea81b752 PoreMS object file of the pore system without functionalization in pickle format protocol version 3.
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_clear.pms

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

TGIF File - 4.4 MB -

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

pore_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 - 6.5 MB -

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

pore_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 - 4.9 MB -

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

pore_system_clear.pms

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

TGIF File - 4.3 MB -

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

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.

Add Data

Share Dataverse

Link Dataverse

Reset Modifications