SFB 1333 C5 - Groß/ Hansen group, ITT

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61 to 70 of 763 Results

pore_amorph_heptane_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: 232349810937f4092e59e8ecd00684ca Diffusion profile of the center of mass of heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.
pore_amorph_heptane.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 8.9 MB - MD5: 86cc62970196681217e6ced469e59e6a Cartesian coordinates of a simulation of an amorphous pore with pure heptane simulated at 295K in .gro format.
pore_amorph_heptane.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 5.1 MB - MD5: cc5eec70b0b70f98e12f1ec3d68d30de Index file of a simulation of an amorphous pore with pure heptane simulated at 295K in .ndx format.
pore_amorph_heptane.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.3 KB - MD5: 51c838d09972f3db3c13e20fdfb6ef4e Main topology file of a simulation of an amorphous pore with pure heptane simulated at 295K in .top format.
pore_amorph_hexane_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: b8c389528b7a31d3fe05561946874678 Density profiles inside and outside the pore of the center of mass of hexane from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.
pore_amorph_hexane_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: 82b56c481b869eacd2fae7b37525f44b Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.
pore_amorph_hexane_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: ccc820380e60db51ea6dfa9403f2258d Radial diffusion profile of the center of mass of heptane within the pore determined using the Einstein method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.
pore_amorph_hexane_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: 9b51dbe0360c5e357ea9f0b4c8111ff6 Diffusion profile of the center of mass of heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.
pore_amorph_hexane.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 16.7 MB - MD5: 5eb67fc72af5281d7aa46349c7c634e0 Cartesian coordinates of a simulation of an amorphous pore with pure hexane simulated at 295K in .gro format.
pore_amorph_hexane.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 5.0 MB - MD5: 7940f465d650ec4dff256fe31a22c482 Index file of a simulation of an amorphous pore with pure hexane simulated at 295K in .ndx format.

pore_amorph_heptane_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 heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.

pore_amorph_heptane.gro

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

Unknown - 8.9 MB -

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

pore_amorph_heptane.ndx

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

Unknown - 5.1 MB -

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

pore_amorph_heptane.top

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

Unknown - 1.3 KB -

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

pore_amorph_hexane_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 hexane from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_hexane_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 amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_hexane_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 heptane within the pore determined using the Einstein method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_hexane_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 heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_hexane.gro

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

Unknown - 16.7 MB -

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

pore_amorph_hexane.ndx

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

Unknown - 5.0 MB -

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

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