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191 to 200 of 8,109 Results
Adsorption_propane_323_FAU48_fixed_Na_323K_blocked_64.tab
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Tabular Data - 9.8 KB - 6 Variables, 101 Observations - UNF:6:OHm8IX2f3I/9M2sClVVM6Q==
Adsorption_propane_323_FAU86_fixed_Na_323K_blocked_64.tab
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Tabular Data - 9.8 KB - 6 Variables, 101 Observations - UNF:6:Qr7DBd6yaxdTdCVL4nmW3A==
butane.def
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 908 B - MD5: 9d376cc1581f1fe63260483a57bb1e65
butane.def
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 962 B - MD5: a99a0025282b59f61e8581439b95ff36
esper2023.json
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
JSON - 877.9 KB - MD5: 9eec72c0838699d0aaf176deb26940c1
ethane.def
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 653 B - MD5: 7f200edb979f6872f8d20bdf147e6b4b
FAU0.cif
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
chemical/x-cif - 48.4 KB - MD5: 61972b21496b186b2d529b6cc751aadb
FAU48.cif
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
chemical/x-cif - 48.4 KB - MD5: 691f4f585f9f2747b27accea5d2d21ad
FAU48_fixed_Na_300K.cif
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
chemical/x-cif - 52.1 KB - MD5: 6de0f943a7688108ba2f137b44f5ec64
FAU48_fixed_Na_323K.cif
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
chemical/x-cif - 52.1 KB - MD5: 1d99e04874f90afc9d44116a22c18497
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