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71 to 80 of 587 Results

pore_amorph_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: 9b51dbe0360c5e357ea9f0b4c8111ff6 Diffusion profile of the center of mass of heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.
pore_amorph_hexane.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 16.7 MB - MD5: 5eb67fc72af5281d7aa46349c7c634e0 Cartesian coordinates of a simulation of an amorphous pore with pure hexane simulated at 295K in .gro format.
pore_amorph_hexane.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 5.0 MB - MD5: 7940f465d650ec4dff256fe31a22c482 Index file of a simulation of an amorphous pore with pure hexane simulated at 295K in .ndx format.
pore_amorph_hexane.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.3 KB - MD5: 3444cd3a604acc17a53c899aff632985 Main topology file of a simulation of an amorphous pore with pure hexane simulated at 295K in .top format.
pore_amorph.pms Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 12.9 MB - MD5: 7c54d38e6676cb288e8e2a9e2ff06287 PoreMS object file of the amorphous pore in pickle format protocol version 3.
pore_amorph.yml Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' application/x-yaml - 348 B - MD5: a5802e7c100d5062ff492cd7d719228f PoreMS pore system properties of the amorphous pore in YAML format.
pore_ideal_1-butanol_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: c85c52fc8138fd093140912053226548 Density profiles inside and outside the pore of the center of mass of 1-butanol from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.
pore_ideal_1-butanol_density_sioh.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: 4451bc1515191623cd95f4ab745dece5 Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.
pore_ideal_1-butanol_diffusion_einstein.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 25.0 KB - MD5: 22c22491d0f9bb6c5e23768525d53af4 Radial diffusion profile of the center of mass of 1-butanol within the pore determined using the Einstein method from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.
pore_ideal_1-butanol_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: db414e937f1595845a8088dc12c9f824 Diffusion profile of the center of mass of 1-butanol along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.

pore_amorph_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 heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_hexane.gro

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

Unknown - 16.7 MB -

Cartesian coordinates of a simulation of an amorphous pore with pure hexane simulated at 295K in .gro format.

pore_amorph_hexane.ndx

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

Unknown - 5.0 MB -

Index file of a simulation of an amorphous pore with pure hexane simulated at 295K in .ndx format.

pore_amorph_hexane.top

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

Unknown - 1.3 KB -

Main topology file of a simulation of an amorphous pore with pure hexane simulated at 295K in .top format.

pore_amorph.pms

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

Unknown - 12.9 MB -

PoreMS object file of the amorphous pore in pickle format protocol version 3.

pore_amorph.yml

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

application/x-yaml - 348 B -

PoreMS pore system properties of the amorphous pore in YAML format.

pore_ideal_1-butanol_density.h5

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

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the center of mass of 1-butanol from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.

pore_ideal_1-butanol_density_sioh.h5

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

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.

pore_ideal_1-butanol_diffusion_einstein.h5

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

Hierarchical Data Format - 25.0 KB -

Radial diffusion profile of the center of mass of 1-butanol within the pore determined using the Einstein method from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.

pore_ideal_1-butanol_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 1-butanol along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure 1-butanol simulated at 295K in HDF5 format.

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