31 to 40 of 578 Results
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. |
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. |
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. |
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. |
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. |
Sep 21, 2023 -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Unknown - 875 B -
MD5: b92cf01cfcb175012827387afd5c2db9
Cartesian coordinates of a single cyclohexane molecule in .gro format. |
Sep 21, 2023 -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Unknown - 12.2 KB -
MD5: a84d2b44fd772ddc23854f779ed3a676
Topology file of a cyclohexane molecule in .top format. |
Sep 21, 2023 -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Unknown - 740 B -
MD5: a28696834a5c83d57c595d012e0197ca
Cartesian coordinates of a single cyclopentane molecule in .gro format. |
Sep 21, 2023 -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
Unknown - 10.3 KB -
MD5: 5ece990a46f20b6a1c73d8b30dcb0734
Topology file of a cyclopentane molecule in .top format. |
Sep 21, 2023 -
Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'
application/x-yaml - 101 B -
MD5: 0bf13126a4f177cc7d20ed9467ef5924
conda environment yaml file to install openff evaluator to read thermoML xml files. Use the command: conda env create -f environment.yml |