Institute of Thermodynamics and Thermal Process Engineering

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7,691 to 7,700 of 8,083 Results

poreana.ipynb Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Jupyter Notebook - 5.5 KB - MD5: 8bd4b43a939399d2927860a30a3d8f42 Jupyter-Notebook for pore trajectory analysis using the PoreAna python package.
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.
porems.ipynb Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Jupyter Notebook - 20.5 KB - MD5: 1e14096ab35db6cc295c68b281f32363 Jupyter-Notebook for pore system generation using the PoreMS python package.
poresim.ipynb Mar 9, 2022 - Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica' Jupyter Notebook - 6.6 KB - MD5: 87fd7d7600725ed3879b7c1d690281ce Jupyter-Notebook for pore simulation preparation for GROMACS using the PoreSim python package.
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.

poreana.ipynb

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

Jupyter Notebook - 5.5 KB -

Jupyter-Notebook for pore trajectory analysis using the PoreAna python package.

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.

porems.ipynb

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

Jupyter Notebook - 20.5 KB -

Jupyter-Notebook for pore system generation using the PoreMS python package.

poresim.ipynb

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

Jupyter Notebook - 6.6 KB -

Jupyter-Notebook for pore simulation preparation for GROMACS using the PoreSim python package.

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.

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