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281 to 290 of 9,331 Results
Tc_GC_model.py
Jan 16, 2026 - Supplementary Material for: A New Group-Contribution Approach for Ideal Gas Heat Capacity, Critical Temperature and Normal Boiling Point
Python Source Code - 8.7 KB - MD5: 534be3a15da9f210795ba27cdb9d5b5a
uv.lock
Jan 16, 2026 - Supplementary Material for: A New Group-Contribution Approach for Ideal Gas Heat Capacity, Critical Temperature and Normal Boiling Point
Unknown - 134.0 KB - MD5: 9cfca595e42a0cf324a9d79a6872c093
Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"
Nov 26, 2025
Teh, Tiong Wei; Kowoll, André; Bauer, Gernot; Stierle, Rolf; Gross, Joachim; Hansen, Niels, 2025, "Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"", https://doi.org/10.18419/DARUS-5255, DaRUS, V1, UNF:6:iid3LupPybJySoA+bOSWqQ== [fileUNF]
Electronic supplementary materials for the publication stated below. Adsorption isotherms are calculated by GCMC simulations (via RASPA software) and by classical density functional theory, cDFT (python code). For both methods, adsorption isotherms were calculated for FAU and LTA zeolites with either sodium or calcium cations. Vapor-Liquid Phase Eq...
calcium.def
Nov 26, 2025 - Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"
Plain Text - 569 B - MD5: 2382b5b3d0d017e28eaf71060e50cf5e
cDFT_code.zip
Nov 26, 2025 - Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"
ZIP Archive - 1.4 MB - MD5: cf35350e729bc518ff9ac8111dc03aa7
FAU_00.cif
Nov 26, 2025 - Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"
chemical/x-cif - 48.4 KB - MD5: f38fc580b5050dabf6abf704e9e4a882
FAU_00.cif
Nov 26, 2025 - Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"
chemical/x-cif - 48.4 KB - MD5: f38fc580b5050dabf6abf704e9e4a882
FAU_01.cif
Nov 26, 2025 - Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"
chemical/x-cif - 48.5 KB - MD5: ebedb758b231fdebf167df9c8c293bfc
FAU_01.cif
Nov 26, 2025 - Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"
chemical/x-cif - 48.4 KB - MD5: 69230e7ddc6bd4ab3f41aaf192d15237
FAU_02.cif
Nov 26, 2025 - Electronic Supplementary Material for "Parametrized, Transferable Classical Density Functional Theory for Alkane/Alkene Separation in Cationic Zeolites"
chemical/x-cif - 48.5 KB - MD5: 99805771247eec90c1221548c8ed777c
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