SimTech EXC 2075 Project Network 3 "Data-integrated model reduction for particles and continua"
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711 to 720 of 803 Results
N_cof_stacked_QEq_sym.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 - 11.5 KB - MD5: 0c91a9bd185a61057ecfdd4f2b47bd4a
Structure data (cif file)
npt_gibbs_ensemble.input
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'
Unknown - 1.0 KB - MD5: 2351abab379ef3828241e6f868a9d61d
Raspa input file for npt-gibbs ensemble
plot.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 - 5.5 KB - MD5: 4382633223673d05c5780334f684c9bc
Part of the jupyter notebook with functions
psd.tab
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 - 946.2 KB - 4 Variables, 20004 Observations - UNF:6:B8SwfN3JgilkgDgcVJYiVA==
Results simulation
pseudo_atoms.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 - 1.5 KB - MD5: 8ccd02d826b196c905b5c8e8b7a5ddf7
Raspa forcefield
reading.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 - 23.7 KB - MD5: 00f70153fa74135b48d3841f30c29023
Part of the jupyter notebook with functions
regular_GCMC.input
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'
Unknown - 1.0 KB - MD5: e435fb97750a3d8644c89e9dcce9e7af
Raspa input file for GCMC
res_5_0_replicas.data
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'
Unknown - 23.1 KB - MD5: c05acd2fad06a576dedbac80067dd332
Results simulation
res_c-c_replicas.data
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'
Unknown - 19.4 KB - MD5: fc4c380619495dad61ae5c112eea0b68
Results simulation
SEA-826_CO2_273_13_05_17_2020_05_21 (Raw Analysis Data).txt
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 - 5.5 KB - MD5: 66cdafc7244f0785bc858bf6de425bb8
Results experiment raw data
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