Molecular Simulation

Dataverse concerning Molecular simulation studies.

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201 to 210 of 578 Results

pure_ethanol_rectangular.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.4 MB - MD5: b028549dd16fafca12ff58abbc3dc3d8 Cartesian coordinates of a simulation with 15808 ethanol molecules in a rectangular box simulated at 295K in .gro format
pure_heptane_01k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.5 MB - MD5: 54a462f34ac1ba95396002d993b02ce6 Cartesian coordinates of a simulation with 1000 heptane molecules simulated at 295K in .gro format
pure_heptane_05k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 7.6 MB - MD5: 2fa1f45e826c23ae66a54efeb0398225 Cartesian coordinates of a simulation with 5000 heptane molecules simulated at 295K in .gro format
pure_heptane_10k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 15.1 MB - MD5: b3f41c068bb0ea6b4d9fd7037b99744c Cartesian coordinates of a simulation with 10000 heptane molecules simulated at 295K in .gro format
pure_heptane_rectangular.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.6 MB - MD5: 23c3aeda4ce10a640d29136d2f37c8b2 Cartesian coordinates of a simulation with 6351 heptane molecules in a rectangular box simulated at 295K in .gro format
pure_hexane_01k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.3 MB - MD5: 0fce52be6324c381e00c27ca8315a6e7 Cartesian coordinates of a simulation with 1000 hexane molecules simulated at 295K in .gro format
pure_hexane_05k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 6.6 MB - MD5: 989432a01f9b5b665f8d774f1357f962 Cartesian coordinates of a simulation with 5000 hexane molecules simulated at 295K in .gro format
pure_hexane_10k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 13.2 MB - MD5: 8cf17e7752a876f9ebcc899a71b1f630 Cartesian coordinates of a simulation with 10000 hexane molecules simulated at 295K in .gro format
pure_hexane_rectangular.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.4 MB - MD5: ed36485e39c1189bd9a0d6e89a342fee Cartesian coordinates of a simulation with 7119 hexane molecules in a rectangular box simulated at 295K in .gro format
pure_methanol_01k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 404.4 KB - MD5: 7c597035768359a25595fdc2b18826af Cartesian coordinates of a simulation with 1000 methanol molecules simulated at 295K in .gro format

pure_ethanol_rectangular.gro

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

Unknown - 9.4 MB -

Cartesian coordinates of a simulation with 15808 ethanol molecules in a rectangular box simulated at 295K in .gro format

pure_heptane_01k.gro

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

Unknown - 1.5 MB -

Cartesian coordinates of a simulation with 1000 heptane molecules simulated at 295K in .gro format

pure_heptane_05k.gro

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

Unknown - 7.6 MB -

Cartesian coordinates of a simulation with 5000 heptane molecules simulated at 295K in .gro format

pure_heptane_10k.gro

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

Unknown - 15.1 MB -

Cartesian coordinates of a simulation with 10000 heptane molecules simulated at 295K in .gro format

pure_heptane_rectangular.gro

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

Unknown - 9.6 MB -

Cartesian coordinates of a simulation with 6351 heptane molecules in a rectangular box simulated at 295K in .gro format

pure_hexane_01k.gro

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

Unknown - 1.3 MB -

Cartesian coordinates of a simulation with 1000 hexane molecules simulated at 295K in .gro format

pure_hexane_05k.gro

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

Unknown - 6.6 MB -

Cartesian coordinates of a simulation with 5000 hexane molecules simulated at 295K in .gro format

pure_hexane_10k.gro

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

Unknown - 13.2 MB -

Cartesian coordinates of a simulation with 10000 hexane molecules simulated at 295K in .gro format

pure_hexane_rectangular.gro

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

Unknown - 9.4 MB -

Cartesian coordinates of a simulation with 7119 hexane molecules in a rectangular box simulated at 295K in .gro format

pure_methanol_01k.gro

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

Unknown - 404.4 KB -

Cartesian coordinates of a simulation with 1000 methanol molecules simulated at 295K in .gro format

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