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531 to 540 of 578 Results
md_2_phase.mdp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 2.3 KB - MD5: b4a5098651e820890e41881816696cf9
Simulation parameter file of the production step of the two-phase system in .mdp format.
md_2_phase.top
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 568 B - MD5: 8dba1439dccf2bdfe469afa93ebe79d6
Main topology file of the two-phase system in .top format.
md_2_phase.tpr
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 1001.4 KB - MD5: 6e3dcb05b5c8dbacac5683e6b7547d56
Gromacs binary input file of the two-phase simulation in .tpr format.
md_2_phase.xtc
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 239.7 MB - MD5: 9629f4de3a1df17c05f75857840a3d5a
Compressed trajectory file of the two-phase system in .xtc format.
md_IL_cat_2.mdp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 2.3 KB - MD5: b14f51165a4cd16bfbe5ebcd268688d5
Simulation parameter file of the production step of the IL cat system in .mdp format.
md_IL_cat_2.top
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 556 B - MD5: f1dac4afb84f55a18968cae6dc3d102f
Main topology file of the IL cat system in .top format.
md_IL_cat_2.tpr
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 3.2 MB - MD5: ea6e98ef7c20d4b804de2ec77ebd7d34
Gromacs binary input file of the IL cat simulation in .tpr format.
md_IL_cat_2.xtc
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 2.4 GB - MD5: af451a00aec7e979ce53fca49636c751
Compressed trajectory file of the IL cat bulk system in .xtc format.
md_pore.gro
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 5.7 MB - MD5: dccd8f289120b15392d4d9ad13d48ce4
Cartesian coordinates of the pore simulation in .gro format.
md_pore.mdp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 2.5 KB - MD5: 1f1b5bb5845f933c634681351f979436
Simulation parameter file of the production step of the pore system in .mdp format.
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