Molecular Simulation

Dataverse concerning Molecular simulation studies.

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181 to 190 of 587 Results

pure_1-butanol_05k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 4.9 MB - MD5: 37e9689b9df94a456c7f8877f60d71f0 Cartesian coordinates of a simulation with 10000 1-butanol molecules simulated at 295K in .gro format.
pure_1-butanol_10k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.9 MB - MD5: ec432f62f2ac698b9244833191192d52 Cartesian coordinates of a simulation with 5000 1-butanol molecules simulated at 295K in .gro format.
pure_1-butanol_rectangular.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.8 MB - MD5: 53eab82d0eaa75647aafadeaa104db4a Cartesian coordinates of a simulation with 9956 1-butanol molecules in a rectangular box simulated at 295K in .gro format
pure_1-propanol_01k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 808.7 KB - MD5: f6e83fb7cbf0289769087ae3b6d04749 Cartesian coordinates of a simulation with 1000 1-propanol molecules simulated at 295K in .gro format.
pure_1-propanol_05k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 3.9 MB - MD5: f0567271e451bf0d3784a37f2245471c Cartesian coordinates of a simulation with 5000 1-propanol molecules simulated at 295K in .gro format.
pure_1-propanol_10k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 7.9 MB - MD5: 39104f15770386689bffb46ea64faf05 Cartesian coordinates of a simulation with 10000 1-propanol molecules simulated at 295K in .gro format.
pure_1-propanol_rectangular.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 9.6 MB - MD5: 6bd66675770a46bfb4c1c9aab0c6da92 Cartesian coordinates of a simulation with 12216 1-propanol molecules in a rectangular box simulated at 295K in .gro format
pure_benzene_01k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 808.7 KB - MD5: 79c18f8da63a8da60c8e37a658bab0eb Cartesian coordinates of a simulation with 1000 benzene molecules simulated at 295K in .gro format.
pure_benzene_05k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 3.9 MB - MD5: 117b9f596279d74e35b20bb76a1ebb52 Cartesian coordinates of a simulation with 5000 benzene molecules simulated at 295K in .gro format.
pure_benzene_10k.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 7.9 MB - MD5: e9ed12f2c89e8ab1797eefdc90a879ef Cartesian coordinates of a simulation with 10000 benzene molecules simulated at 295K in .gro format.

pure_1-butanol_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 10000 1-butanol molecules simulated at 295K in .gro format.

pure_1-butanol_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 5000 1-butanol molecules simulated at 295K in .gro format.

pure_1-butanol_rectangular.gro

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

Unknown - 9.8 MB -

Cartesian coordinates of a simulation with 9956 1-butanol molecules in a rectangular box simulated at 295K in .gro format

pure_1-propanol_01k.gro

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

Unknown - 808.7 KB -

Cartesian coordinates of a simulation with 1000 1-propanol molecules simulated at 295K in .gro format.

pure_1-propanol_05k.gro

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

Unknown - 3.9 MB -

Cartesian coordinates of a simulation with 5000 1-propanol molecules simulated at 295K in .gro format.

pure_1-propanol_10k.gro

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

Unknown - 7.9 MB -

Cartesian coordinates of a simulation with 10000 1-propanol molecules simulated at 295K in .gro format.

pure_1-propanol_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 12216 1-propanol molecules in a rectangular box simulated at 295K in .gro format

pure_benzene_01k.gro

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

Unknown - 808.7 KB -

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

pure_benzene_05k.gro

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

Unknown - 3.9 MB -

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

pure_benzene_10k.gro

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

Unknown - 7.9 MB -

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

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