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141 to 150 of 578 Results

pore_ideal_pyridine_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: b4453ea8dcd857942b01bdfba3c1afa5 Radial diffusion profile of the center of mass of pyridine within the pore determined using the Einstein method from a simulation of an ideal pore with pure pyridine simulated at 295K in HDF5 format.
pore_ideal_pyridine_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: bf104aafe5850c1456be1b2774e52d0a Diffusion profile of the center of mass of pyridine along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure pyridine simulated at 295K in HDF5 format.
pore_ideal_pyridine.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 7.9 MB - MD5: 6fe2a52e0707c4da6c423e20675996a8 Cartesian coordinates of a simulation of an ideal pore with pure pyridine simulated at 295K in .gro format.
pore_ideal_pyridine.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 2.2 MB - MD5: a03976a2a2ff282d145ff11117ce0e6b Index file of a simulation of an ideal pore with pure pyridine simulated at 295K in .ndx format.
pore_ideal_pyridine.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.8 KB - MD5: c9e348ecea6c94c4a62b7b7a92b58982 Main topology file of a simulation of an ideal pore with pure pyridine simulated at 295K in .top format.
pore_ideal_pyrrole_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: a07cabdd10e13e29ff74489c23512395 Density profiles inside and outside the pore of the center of mass of pyrrole from a simulation of an ideal pore with pure pyrrole simulated at 295K in HDF5 format.
pore_ideal_pyrrole_density_sioh.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.0 KB - MD5: c1af64aad0308407bc678a944b4fe0bf 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 pyrrole simulated at 295K in HDF5 format.
pore_ideal_pyrrole_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: 1933f4af149120cb60d9dc6567f0efcf Radial diffusion profile of the center of mass of pyrrole within the pore determined using the Einstein method from a simulation of an ideal pore with pure pyrrole simulated at 295K in HDF5 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 - 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_pyridine_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 pyridine within the pore determined using the Einstein method from a simulation of an ideal pore with pure pyridine simulated at 295K in HDF5 format.

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

pore_ideal_pyridine.gro

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

Unknown - 7.9 MB -

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

pore_ideal_pyridine.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 pyridine simulated at 295K in .ndx format.

pore_ideal_pyridine.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 pyridine simulated at 295K in .top format.

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

pore_ideal_pyrrole_density_sioh.h5

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

Hierarchical Data Format - 20.0 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 pyrrole simulated at 295K in HDF5 format.

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

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