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201 to 210 of 8,109 Results
FAU86.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: 39e4ecd5605c8180d5f511110c6fadb5
FAU86_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 - 55.0 KB - MD5: c4a872ca70dc6c54ec29599e495e9e7a
FAU86_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 - 55.0 KB - MD5: fdf1512660857d6b94298bf888416445
FAU.block
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"
Unknown - 1.7 KB - MD5: a3a358e8ac16697822f97b3858de66b8
force_field.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 - 1.1 KB - MD5: d9395a2bba5fc2c07c1b67c4f5873967
force_field_mixing_rules.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 - 599 B - MD5: b9b6565d985f53ce5f7167118578ac80
force_field_mixing_rules.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 - 813 B - MD5: c0156561cc2980434ce91ef55f00237e
gcmc_fixcat.input.template
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"
Unknown - 1.4 KB - MD5: 64e5d355d073c28a02628d3e3e08475d
gcmc_mobcat.input.template
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"
Unknown - 1.7 KB - MD5: fd9d7514fe033566ef1c46ea1933fdbe
Heat_FAU0_323K_methane_trappe.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 - 361 B - 2 Variables, 22 Observations - UNF:6:/ZExYbc5FCDPBernEHXuAg==
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