Molecular Simulation

Featured Dataverses

In order to use this feature you must have at least one published or linked dataverse.

Publish Dataverse

Are you sure you want to publish your dataverse? Once you do so it must remain published.

Publish Dataverse

This dataverse cannot be published because the dataverse it is in has not been published.

Delete Dataverse

Are you sure you want to delete your dataverse? You cannot undelete this dataverse.

File Type: Data

41 to 50 of 100 Results

pore_ideal_1-butanol_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: c85c52fc8138fd093140912053226548 Density profiles inside and outside the pore of the center of mass of 1-butanol from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.
pore_ideal_1-butanol_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: 4451bc1515191623cd95f4ab745dece5 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-butanol simulated at 295K in HDF5 format.
pore_ideal_1-butanol_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: 22c22491d0f9bb6c5e23768525d53af4 Radial diffusion profile of the center of mass of 1-butanol within the pore determined using the Einstein method from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.
pore_ideal_1-butanol_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: db414e937f1595845a8088dc12c9f824 Diffusion profile of the center of mass of 1-butanol along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 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_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_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-butanol from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.

pore_ideal_1-butanol_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-butanol simulated at 295K in HDF5 format.

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

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

Add Data

Share Dataverse

Link Dataverse

Reset Modifications