Molecular Simulation

Dataverse concerning Molecular simulation studies.

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191 to 200 of 578 Results

pure_cyclohexane_05k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 5.9 MB - MD5: 56803d26089fb6a1c630baf0cc009c12 Cartesian coordinates of a simulation with 5000 cyclohexane molecules simulated at 295K in .gro format
pure_cyclohexane_10k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 11.8 MB - MD5: 151a8177471a20176ad0f434091e37a8 Cartesian coordinates of a simulation with 10000 cyclohexane molecules simulated at 295K in .gro format
pure_cyclohexane_rectangular.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 10.0 MB - MD5: 811d7c37f23828d697584c142339b98c Cartesian coordinates of a simulation with 8437 cyclohexane molecules in a rectangular box simulated at 295K in .gro format
pure_cyclopentane_01k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1010.8 KB - MD5: 68fb6b0b81a8487577ad1626508c68b8 Cartesian coordinates of a simulation with 1000 cyclopentane molecules simulated at 295K in .gro format
pure_cyclopentane_05k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 4.9 MB - MD5: 653b1511eebd6b82d2973ce6f1548d75 Cartesian coordinates of a simulation with 5000 cyclopentane molecules simulated at 295K in .gro format
pure_cyclopentane_10k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.9 MB - MD5: c5ce09c4b9cabc1bf5d3b07b3f58ba09 Cartesian coordinates of a simulation with 10000 cyclopentane molecules simulated at 295K in .gro format
pure_cyclopentane_rectangular.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.6 MB - MD5: 1c45d0ab0d65f9c22dbfc62e376ee246 Cartesian coordinates of a simulation with 9728 cyclopentane molecules in a rectangular box simulated at 295K in .gro format
pure_ethanol_01k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 606.5 KB - MD5: 710a2cc3da72e4f33e23d8281e97b120 Cartesian coordinates of a simulation with 1000 ethanol molecules simulated at 295K in .gro format
pure_ethanol_05k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 3.0 MB - MD5: ba0be1e7002aeb3774a1976e6c71e4b5 Cartesian coordinates of a simulation with 5000 ethanol molecules simulated at 295K in .gro format
pure_ethanol_10k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 5.9 MB - MD5: d12b44bf0ad25e787c78d060c3ec7b7b Cartesian coordinates of a simulation with 10000 ethanol molecules simulated at 295K in .gro format

pure_cyclohexane_05k.gro

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

Unknown - 5.9 MB -

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

pure_cyclohexane_10k.gro

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

Unknown - 11.8 MB -

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

pure_cyclohexane_rectangular.gro

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

Unknown - 10.0 MB -

Cartesian coordinates of a simulation with 8437 cyclohexane molecules in a rectangular box simulated at 295K in .gro format

pure_cyclopentane_01k.gro

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

Unknown - 1010.8 KB -

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

pure_cyclopentane_05k.gro

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

Unknown - 4.9 MB -

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

pure_cyclopentane_10k.gro

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

Unknown - 9.9 MB -

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

pure_cyclopentane_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 9728 cyclopentane molecules in a rectangular box simulated at 295K in .gro format

pure_ethanol_01k.gro

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

Unknown - 606.5 KB -

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

pure_ethanol_05k.gro

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

Unknown - 3.0 MB -

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

pure_ethanol_10k.gro

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

Unknown - 5.9 MB -

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

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