Molecular Simulation

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101 to 110 of 587 Results

pore_ideal_cyclohexane_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: 3f123b0d729eaf3d25cd5914a65be818 Diffusion profile of the center of mass of cyclohexane along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure cyclohexanesimulated at 295K in HDF5 format.
pore_ideal_cyclohexane.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.2 MB - MD5: b52eee1c14c75a17fed5535230868cf9 Cartesian coordinates of a simulation of an ideal pore with pure cyclohexane simulated at 295K in .gro format.
pore_ideal_cyclohexane.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 2.6 MB - MD5: 302ec82d2e9de0754b7be9763bc9dc02 Index file of a simulation of an ideal pore with pure cyclohexane simulated at 295K in .ndx format.
pore_ideal_cyclohexane.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.3 KB - MD5: 403b8cdd2356ff971fbc0ded4833af39 Main topology file of a simulation of an ideal pore with pure cyclohexane simulated at 295K in .top format.
pore_ideal_cyclopentane_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: c2223b16f85be401390bc760ad23b47f Density profiles inside and outside the pore of the center of mass of cyclopentane from a simulation of an ideal pore with pure cyclopentane simulated at 295K in HDF5 format.
pore_ideal_cyclopentane_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: 1c7fb624aaa6950654e50bc29175a7df 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 cyclopentane simulated at 295K in HDF5 format.
pore_ideal_cyclopentane_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: 28aeb0e7f681971f9b637c8b3b098f35 Radial diffusion profile of the center of mass of cyclopentane within the pore determined using the Einstein method from a simulation of an ideal pore with pure cyclopentane simulated at 295K in HDF5 format.
pore_ideal_cyclopentane_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: f6b529d17773110c6017adf33d50bdd1 Diffusion profile of the center of mass of cyclopentane along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure cyclopentane simulated at 295K in HDF5 format.
pore_ideal_cyclopentane.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 8.9 MB - MD5: ae984114d19a81658f9bf12d6c243c13 Cartesian coordinates of a simulation of an ideal pore with pure cyclopentane simulated at 295K in .gro format.
pore_ideal_cyclopentane.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 2.5 MB - MD5: 387864ad369c5fe7b48f389c8edf6a8d Index file of a simulation of an ideal pore with pure cyclopentane simulated at 295K in .ndx format.

pore_ideal_cyclohexane_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 cyclohexane along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure cyclohexanesimulated at 295K in HDF5 format.

pore_ideal_cyclohexane.gro

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

Unknown - 9.2 MB -

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

pore_ideal_cyclohexane.ndx

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

Unknown - 2.6 MB -

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

pore_ideal_cyclohexane.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 cyclohexane simulated at 295K in .top format.

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

pore_ideal_cyclopentane_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 cyclopentane simulated at 295K in HDF5 format.

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

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

pore_ideal_cyclopentane.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 cyclopentane simulated at 295K in .gro format.

pore_ideal_cyclopentane.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 cyclopentane simulated at 295K in .ndx format.

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