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1,411 to 1,420 of 9,299 Results
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
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
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