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11 to 20 of 9,331 Results
original_polar_results.csv
Apr 7, 2026 - Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization'
Tabular Data - 69.2 KB - 6 Variables, 1149 Observations - UNF:6:kwqdvhCtn5kfEmc50jK6og==
slipped_nonpolar_results.csv
Apr 7, 2026 - Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization'
Tabular Data - 253.3 KB - 8 Variables, 2747 Observations - UNF:6:bc5R3jotYSbwh9e3/6KLpw==
slipped_polar_results.csv
Apr 7, 2026 - Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization'
Tabular Data - 214.4 KB - 6 Variables, 2728 Observations - UNF:6:/3PIAz06q5cfNC7jLOVXGw==
Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"
Mar 9, 2026
Högler, Marc; Hansen, Niels, 2026, "Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"", https://doi.org/10.18419/DARUS-5511, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp). Also Jupyter notebooks to load and display the results are uploaded.
ana_pore.ipynb
Mar 9, 2026 - Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"
Jupyter Notebook - 162.7 KB - MD5: b260818ef2e9bcef110875d2fe0b1ad9
ana_pore_SI.ipynb
Mar 9, 2026 - Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"
Jupyter Notebook - 317.9 KB - MD5: 6e39c767aef9cf6fd709b695190a0bfa
c12.gro
Mar 9, 2026 - Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"
Unknown - 1.7 KB - MD5: cb956c559fc3b4cd04f7193d4022c5ef
c12.top
Mar 9, 2026 - Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"
Unknown - 17.7 KB - MD5: 494c3a990d7d6713928f14e18083e4e6
c14.gro
Mar 9, 2026 - Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"
Unknown - 1.9 KB - MD5: 0e04f36dbcc093a4a51b2c135f9a7953
c14.top
Mar 9, 2026 - Supplementary material for "Ethylene Oligomerization Under Confinement Using Supported Cr(II) and Cr(III) Catalysts"
Unknown - 20.7 KB - MD5: 7f48c0c5737f38e464ac13d60eb3b3ae
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