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

11 to 20 of 100 Results

box_rectangular_ethanol_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: d8d5c3fb3c23d6d1d1b77c5093f6e125 Center of mass density profiles of ethanol from a simulation of an rectangular box with pure ethanol simulated at 295K in HDF5 format.
box_rectangular_ethanol_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: 0a61db5bef034f981468b0de729b6233 Diffusion profile of the center of mass of ethanol along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure ethanol simulated at 295K in HDF5 format.
box_rectangular_heptane_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: 987d86053459393e169b1a1f0de79bb6 Center of mass density profiles of heptane from a simulation of an rectangular box with pure heptane simulated at 295K in HDF5 format.
box_rectangular_heptane_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: 84bf65bb08b4c9b6a4a4cc6a7012dd40 Diffusion profile of the center of mass of heptane along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure heptane simulated at 295K in HDF5 format.
box_rectangular_hexane_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: 6e7b227719170ae356cf33882bc3edc2 Center of mass density profiles of hexane from a simulation of an rectangular box with pure hexane simulated at 295K in HDF5 format.
box_rectangular_hexane_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: ff3aa6fd18e8d1bfeee8299f353999e9 Diffusion profile of the center of mass of hexane along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure hexane simulated at 295K in HDF5 format.
box_rectangular_methanol_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: 4c43e2ec7c5025ebb9ae02a43b4cbb8b Center of mass density profiles of methanol from a simulation of an rectangular box with pure methanol simulated at 295K in HDF5 format.
box_rectangular_methanol_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: c67da0d7c1e67400efbbf6126883921d Diffusion profile of the center of mass of methanol along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure methanol simulated at 295K in HDF5 format.
box_rectangular_pyridine_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: 4dc9a062760302bc83d6664b73ef22ad Center of mass density profiles of pyridine from a simulation of an rectangular box with pure pyridine simulated at 295K in HDF5 format.
box_rectangular_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: dec34032088096d16a08a93f44d2e7cb Diffusion profile of the center of mass of pyridine along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure pyridine simulated at 295K in HDF5 format.

box_rectangular_ethanol_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 ethanol from a simulation of an rectangular box with pure ethanol simulated at 295K in HDF5 format.

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

box_rectangular_heptane_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 heptane from a simulation of an rectangular box with pure heptane simulated at 295K in HDF5 format.

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

box_rectangular_hexane_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 hexane from a simulation of an rectangular box with pure hexane simulated at 295K in HDF5 format.

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

box_rectangular_methanol_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 methanol from a simulation of an rectangular box with pure methanol simulated at 295K in HDF5 format.

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

box_rectangular_pyridine_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 pyridine from a simulation of an rectangular box with pure pyridine simulated at 295K in HDF5 format.

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

Add Data

Share Dataverse

Link Dataverse

Reset Modifications