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151 to 160 of 587 Results

pore_ideal_pyrrole_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: 8c8114e5bdcc0c081da42e6ed0087ca0 Diffusion profile of the center of mass of pyrrole along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure pyrrole simulated at 295K in HDF5 format.
pore_ideal_pyrrole.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 8.5 MB - MD5: dcd0ee683a358989515324c6dd5c480a Cartesian coordinates of a simulation of an ideal pore with pure pyrrole simulated at 295K in .gro format.
pore_ideal_pyrrole.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 2.4 MB - MD5: 5423b1a190f797ceed933319d08012b9 Index file of a simulation of an ideal pore with pure pyrrole simulated at 295K in .ndx format.
pore_ideal_pyrrole.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.8 KB - MD5: 7aa4ff2cc4e782944cddd1ce29278cb8 Main topology file of a simulation of an ideal pore with pure pyrrole simulated at 295K in .top format.
pore_ideal_tetrahydrofuran_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: 9f880e5a589bbed46ddef231fe5f2119 Density profiles inside and outside the pore of the center of mass of tetrahydrofuran from a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in HDF5 format.
pore_ideal_tetrahydrofuran_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: 5ae11871a24a45a02c36e127e2f7a590 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 tetrahydrofuran simulated at 295K in HDF5 format.
pore_ideal_tetrahydrofuran_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: 040cf6edc23a1827e9e8331abbd47bca Radial diffusion profile of the center of mass of tetrahydrofuran within the pore determined using the Einstein method from a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in HDF5 format.
pore_ideal_tetrahydrofuran_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: ccb1b10c244884892e28a78f95897d11 Diffusion profile of the center of mass of tetrahydrofuran along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in HDF5 format.
pore_ideal_tetrahydrofuran.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 8.9 MB - MD5: ae436ee881dfe287c04239af35630930 Cartesian coordinates of a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in .gro format.
pore_ideal_tetrahydrofuran.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 2.4 MB - MD5: df10f95d951c1add706eea5b295a306f Index file of a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in .ndx format.

pore_ideal_pyrrole_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 pyrrole along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure pyrrole simulated at 295K in HDF5 format.

pore_ideal_pyrrole.gro

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

Unknown - 8.5 MB -

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

pore_ideal_pyrrole.ndx

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

Unknown - 2.4 MB -

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

pore_ideal_pyrrole.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 pyrrole simulated at 295K in .top format.

pore_ideal_tetrahydrofuran_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 tetrahydrofuran from a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in HDF5 format.

pore_ideal_tetrahydrofuran_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 tetrahydrofuran simulated at 295K in HDF5 format.

pore_ideal_tetrahydrofuran_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 tetrahydrofuran within the pore determined using the Einstein method from a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in HDF5 format.

pore_ideal_tetrahydrofuran_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 tetrahydrofuran along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure tetrahydrofuran simulated at 295K in HDF5 format.

pore_ideal_tetrahydrofuran.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 ideal pore with pure tetrahydrofuran simulated at 295K in .gro format.

pore_ideal_tetrahydrofuran.ndx

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

Unknown - 2.4 MB -

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

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