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81 to 90 of 578 Results

pore_ideal_1-butanol.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.3 KB - MD5: f79b2b18abfd72a82c1f3d2732a510a2 Main topology file of a simulation of an ideal pore with pure 1-butanol simulated at 295K in .top format.
pore_ideal_1-propanol_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: 091fa722c3332382021cb952ffe1f926 Density profiles inside and outside the pore of the center of mass of 1-propanol from a simulation of an ideal pore with pure 1-propanol simulated at 295K in HDF5 format.
pore_ideal_1-propanol_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: 52513a6d1c72dce8f916ce8e158f07d7 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 1-propanol simulated at 295K in HDF5 format.
pore_ideal_1-propanol_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: bda928ac48b1c379f7add65ec9484e9e Radial diffusion profile of the center of mass of 1-propanol within the pore determined using the Einstein method from a simulation of an ideal pore with pure 1-propanol simulated at 295K in HDF5 format.
pore_ideal_1-propanol_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: 1ef8fef977a9342ce625621cf1d7d524 Diffusion profile of the center of mass of 1-propanol along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure 1-propanol simulated at 295K in HDF5 format.
pore_ideal_1-propanol.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.0 MB - MD5: e9408e5590e616b31bf4ab15fd060a0a Cartesian coordinates of a simulation of an ideal pore with pure 1-propanol simulated at 295K in .gro format.
pore_ideal_1-propanol.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 2.5 MB - MD5: 8b8df2add2f11ee239718767e8cc19c6 Index file of a simulation of an ideal pore with pure 1-propanol simulated at 295K in .ndx format.
pore_ideal_1-propanol.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.3 KB - MD5: d4dfdbdf3a43a2b1066c5ec2ab799f69 Main topology file of a simulation of an ideal pore with pure 1-propanol simulated at 295K in .top format.
pore_ideal_benzene_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: f8f102314ff1e136f1e0630829dc3fce Density profiles inside and outside the pore of the center of mass of benzene from a simulation of an ideal pore with pure benzene simulated at 295K in HDF5 format.
pore_ideal_benzene_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: f79aa7cafdd6a58146c0a6cdb55c65f4 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 benzene simulated at 295K in HDF5 format.

pore_ideal_1-butanol.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 ideal pore with pure 1-butanol simulated at 295K in .top format.

pore_ideal_1-propanol_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 1-propanol from a simulation of an ideal pore with pure 1-propanol simulated at 295K in HDF5 format.

pore_ideal_1-propanol_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 1-propanol simulated at 295K in HDF5 format.

pore_ideal_1-propanol_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 1-propanol within the pore determined using the Einstein method from a simulation of an ideal pore with pure 1-propanol simulated at 295K in HDF5 format.

pore_ideal_1-propanol_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 1-propanol along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure 1-propanol simulated at 295K in HDF5 format.

pore_ideal_1-propanol.gro

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

Unknown - 9.0 MB -

Cartesian coordinates of a simulation of an ideal pore with pure 1-propanol simulated at 295K in .gro format.

pore_ideal_1-propanol.ndx

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

Unknown - 2.5 MB -

Index file of a simulation of an ideal pore with pure 1-propanol simulated at 295K in .ndx format.

pore_ideal_1-propanol.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 ideal pore with pure 1-propanol simulated at 295K in .top format.

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

pore_ideal_benzene_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 benzene simulated at 295K in HDF5 format.

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