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7,861 to 7,870 of 8,083 Results
video_5nm.mp4
Sep 14, 2021 - Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'
MPEG-4 Video - 709.5 MB - MD5: 0fea36145183f5ec0cb3197d5ad065af
Visualization 5nm pore of a 1mus long simulation - 1s in the video corresponds to 12 ns simulation time.
video_6nm.mp4
Sep 14, 2021 - Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'
MPEG-4 Video - 800.1 MB - MD5: 73b1f70e11a7caa8a7fd0e9181901018
Visualization 6nm pore of a 1mus long simulation - 1s in the video corresponds to 12 ns simulation time.
2_3_Dha_Tph_QEq.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 - 18.8 KB - MD5: b70ba6005af2f9acf6a0bba12317fc60
C1.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 - 579 B - MD5: 89755ad1115e56272908d24c2dc4ac06
C2.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 - 652 B - MD5: b37e2d2171954d14237c53a90c9fd710
C4.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 - 906 B - MD5: bdb9c6d4211b9def8e725f2d98f3ee41
conversion.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 - 1009 B - MD5: 10bbab7e7671f1aded7bfd02272d8008
DFT_Dha_298_ethane.tab
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'
Tabular Data - 6.5 KB - 1 Variables, 51 Observations - UNF:6:jrEycN9PFbgfS6fSDc3Ivg==
DFT_Dha_298_methane_ethane_x01.tab
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'
Tabular Data - 9.4 KB - 1 Variables, 51 Observations - UNF:6:iR7w/C9Yogy9TlJzdTJWYw==
DFT_Dha_298_methane_ethane_x04.tab
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'
Tabular Data - 9.4 KB - 1 Variables, 51 Observations - UNF:6:vdZStXmBY1+VWnCBn1sx8A==
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