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161 to 170 of 587 Results

pore_ideal_tetrahydrofuran.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.1 KB - MD5: 8b4e8e984d3254f1666d8da022a513f2 Main topology file of a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in .top format.
pore_ideal_toluene_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: a486558281c9973875010ea48f6200d7 Density profiles inside and outside the pore of the center of mass of toluene from a simulation of an ideal pore with pure toluene simulated at 295K in HDF5 format.
pore_ideal_toluene_density_sioh.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: ccdf9a489b87d19c37afc322d9213f91 Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an ideal pore with pure toluene simulated at 295K in HDF5 format.
pore_ideal_toluene_diffusion_einstein.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 25.0 KB - MD5: 5ff66dcfc33ab1c04abe27edd9094f32 Radial diffusion profile of the center of mass of toluene within the pore determined using the Einstein method from a simulation of an ideal pore with pure toluene simulated at 295K in HDF5 format.
pore_ideal_toluene_diffusion_smoluchowski.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 878.7 KB - MD5: e4d33b0026cfb37dc776c0d122c33842 Diffusion profile of the center of mass of toluene along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure toluene simulated at 295K in HDF5 format.
pore_ideal_toluene.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 8.0 MB - MD5: f8fe2aaefa2ef83e93266209e5db4866 Cartesian coordinates of a simulation of an ideal pore with pure toluene simulated at 295K in .gro format.
pore_ideal_toluene.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 2.2 MB - MD5: d19779b154d94e52cde83bed70beef2c Index file of a simulation of an ideal pore with pure toluene simulated at 295K in .ndx format.
pore_ideal_toluene.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.8 KB - MD5: ebc36c1f1e6c41793d71970b8558c167 Main topology file of a simulation of an ideal pore with pure toluene simulated at 295K in .top format.
pore_ideal_water_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: f5552ed46d3e2c8061312edb6d4c30fe Density profiles inside and outside the pore of the center of mass of water from a simulation of an ideal pore with pure water simulated at 295K in HDF5 format.
pore_ideal_water_density_sioh.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: 09a727528f728d618a973de0de5670b5 Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an ideal pore with pure water simulated at 295K in HDF5 format.

pore_ideal_tetrahydrofuran.top

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Unknown - 1.1 KB -

Main topology file of a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in .top format.

pore_ideal_toluene_density.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the center of mass of toluene from a simulation of an ideal pore with pure toluene simulated at 295K in HDF5 format.

pore_ideal_toluene_density_sioh.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an ideal pore with pure toluene simulated at 295K in HDF5 format.

pore_ideal_toluene_diffusion_einstein.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 25.0 KB -

Radial diffusion profile of the center of mass of toluene within the pore determined using the Einstein method from a simulation of an ideal pore with pure toluene simulated at 295K in HDF5 format.

pore_ideal_toluene_diffusion_smoluchowski.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 878.7 KB -

Diffusion profile of the center of mass of toluene along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure toluene simulated at 295K in HDF5 format.

pore_ideal_toluene.gro

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Unknown - 8.0 MB -

Cartesian coordinates of a simulation of an ideal pore with pure toluene simulated at 295K in .gro format.

pore_ideal_toluene.ndx

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Unknown - 2.2 MB -

Index file of a simulation of an ideal pore with pure toluene simulated at 295K in .ndx format.

pore_ideal_toluene.top

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Unknown - 1.8 KB -

Main topology file of a simulation of an ideal pore with pure toluene simulated at 295K in .top format.

pore_ideal_water_density.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the center of mass of water from a simulation of an ideal pore with pure water simulated at 295K in HDF5 format.

pore_ideal_water_density_sioh.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an ideal pore with pure water simulated at 295K in HDF5 format.

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