Molecular Simulation

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File Type: Data

21 to 30 of 100 Results

box_rectangular_pyrrole_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: 237b42d95612d75cfb1bad1404384ffc Center of mass density profiles of pyrrole from a simulation of an rectangular box with pure pyrrole simulated at 295K in HDF5 format.
box_rectangular_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: c2bf72bbde5ce08b6efd60fc467eff44 Diffusion profile of the center of mass of pyrrole along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure pyrrole simulated at 295K in HDF5 format.
box_rectangular_tetrahydrofuran_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: 4b559f85b2d9437d403bfa7fdbd2455d Center of mass density profiles of tetrahydrofuran from a simulation of an rectangular box with pure tetrahydrofuran simulated at 295K in HDF5 format.
box_rectangular_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: b7820312a3ccf83862477ffb2483e8c0 Diffusion profile of the center of mass of tetrahydrofuran along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure tetrahydrofuran simulated at 295K in HDF5 format.
box_rectangular_toluene_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: d490f580cac64bb8edd40810cd25a030 Center of mass density profiles of toluene from a simulation of an rectangular box with pure toluene simulated at 295K in HDF5 format.
box_rectangular_toluene_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: d395bb2b2158cb46691d9f92ffd193b5 Diffusion profile of the center of mass of toluene along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure toluene simulated at 295K in HDF5 format.
box_rectangular_water_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: cec69a73ada028b27005860427e72029 Center of mass density profiles of water from a simulation of an rectangular box with pure water simulated at 295K in HDF5 format.
box_rectangular_water_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: fad6f6f192843f67860c512c09338d29 Diffusion profile of the center of mass of water along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure water simulated at 295K in HDF5 format.
pore_amorph_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: 99cbc5c5382f8bde81bb4b36eb7839d7 Density profiles inside and outside the pore of the center of mass of cyclopentane from a simulation of an amorphous pore with pure cyclopentane simulated at 295K in HDF5 format.
pore_amorph_cyclopentane_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: 12a0484f936c179359546f79d22736b9 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 cyclopentane simulated at 295K in HDF5 format.

box_rectangular_pyrrole_density.h5

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

Hierarchical Data Format - 16.9 KB -

Center of mass density profiles of pyrrole from a simulation of an rectangular box with pure pyrrole simulated at 295K in HDF5 format.

box_rectangular_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 a rectangular box with pure pyrrole simulated at 295K in HDF5 format.

box_rectangular_tetrahydrofuran_density.h5

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

Hierarchical Data Format - 16.9 KB -

Center of mass density profiles of tetrahydrofuran from a simulation of an rectangular box with pure tetrahydrofuran simulated at 295K in HDF5 format.

box_rectangular_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 a rectangular box with pure tetrahydrofuran simulated at 295K in HDF5 format.

box_rectangular_toluene_density.h5

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

Hierarchical Data Format - 16.9 KB -

Center of mass density profiles of toluene from a simulation of an rectangular box with pure toluene simulated at 295K in HDF5 format.

box_rectangular_toluene_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 toluene along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure toluene simulated at 295K in HDF5 format.

box_rectangular_water_density.h5

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

Hierarchical Data Format - 16.9 KB -

Center of mass density profiles of water from a simulation of an rectangular box with pure water simulated at 295K in HDF5 format.

box_rectangular_water_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 water along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure water simulated at 295K in HDF5 format.

pore_amorph_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 amorphous pore with pure cyclopentane simulated at 295K in HDF5 format.

pore_amorph_cyclopentane_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 cyclopentane simulated at 295K in HDF5 format.

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