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8,691 to 8,700 of 9,299 Results
force_field.def
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Plain Text - 88 B - MD5: 9a8515f63bb182941cf1da31250f9ab3
Raspa forcefield
force_field_mixing_rules.def
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Plain Text - 899 B - MD5: 3be87f969a335d9a28f07fba9f5b4262
Raspa forcefield
__init__.py
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Python Source Code - 29 B - MD5: 7d09ec476540185fc6d0a0b088347f33
Part of the jupyter notebook with functions
jupyter-notebook.ipynb
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Jupyter Notebook - 2.2 MB - MD5: 98476382191abdc3c8a3947991a4ad07
Jupyter notebook with the evaluation of all results from experiment and simulation.
jupyter-notebook.pdf
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Adobe PDF - 1.5 MB - MD5: 7a8a6e403b6e118336b023825fd99ad6
Jupyter notebook with the evaluation of all results from experiment and simulation as pdf file.
N2_273K_random_structures.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 29.1 KB - 12 Variables, 297 Observations - UNF:6:lYnxGBbkEtBb9tvMscBQsA==
Results simulation
N2_298K_random_structures.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 27.5 KB - 12 Variables, 281 Observations - UNF:6:FMBj/IcP/vAWxJBeI0d9PQ==
Results simulation
N2_77K_random_structures.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 63.3 KB - 12 Variables, 605 Observations - UNF:6:ldjGNKM3L4XjuKCNOsADaw==
Results simulation
N2.def
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Plain Text - 763 B - MD5: 05bdf0aad9fe7f14ad8ddb8eb066af98
Raspa input for molecule
N-COF-klein_random_1_1.6.cif
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
chemical/x-cif - 46.0 KB - MD5: fbad16cd41efba8a9beb04030a30868f
Structure data (cif file)
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