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9,141 to 9,150 of 9,299 Results
N2.def
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Plain Text - 763 B - MD5: 05bdf0aad9fe7f14ad8ddb8eb066af98
pseudo_atoms.def
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Plain Text - 2.2 KB - MD5: dab8deda28e9eab1665c54261bbb728a
raspa_input_mixture.input
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Unknown - 2.1 KB - MD5: a8e27231c04827dc52f153a0077f45ee
raspa_input_pure.input
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Unknown - 1.3 KB - MD5: 28784d2c2e6bc01b27081c9876183ab2
reading.cpython-37.pyc
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Unknown - 1.4 KB - MD5: ea99af5c5edf7d7b14b3d273e018e4ef
reading.py
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Python Source Code - 2.2 KB - MD5: cb85c1e88026ee03864a26ed89b4212d
test.cpython-37.pyc
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Unknown - 266 B - MD5: 056be5fd17bbc3593145ae4d1f745018
TpPA-1_CSD_QEq_1_1_1_P1.cif
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
chemical/x-cif - 6.7 KB - MD5: f5316421967164f9a2b672bcad885d3e
Untitled-checkpoint.ipynb
Jul 12, 2021 - Supplementary material for 'Adsorption of Light Gases in Covalent Organic Frameworks: Comparison of Classical Density Functional Theory and Grand Canonical Monte Carlo Simulations'
Jupyter Notebook - 72 B - MD5: 4b785bfb892d21e3b0bab30eb3adc8c1
atomtypes.atp
Apr 29, 2021 - Supplementary material for 'Confined Ru‐catalysts in a Two‐phase Heptane/Ionic Liquid Solution: Modeling Aspects'
Unknown - 37.8 KB - MD5: 0f8889f396c5e4b291c50385cfa06e0b
gromacs forcefield atomtype
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