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README.md
Mar 1, 2024 - Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
Markdown Text - 1.3 KB - MD5: 94b6bdeff344e17ed904ccb08c6029f4
Information on how to use the data.
requirements.txt
Mar 1, 2024 - Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
Plain Text - 91 B - MD5: 13847886dda4a10a36b8a7e1ebe74e4d
Required python packages.
fig11_DFT_methane_butane_y08_adsorb.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 158.8 KB - MD5: 70f69251fd196da1322f597859d77ed0
fig11_DFT_methane_butane_y08_desorb.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 158.8 KB - MD5: 7c3a9bf25678b602084c39d6c9262f5f
fig11_TMMC_methane_butane_y08.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 31.6 KB - MD5: 80b8884fb907bbf7bec18bb9fd9cdd0f
fig2_DFT_arg_290K_cylR20_adsorb.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 125.5 KB - MD5: e34550ce8502ce76f4b5b510384e4ec2
fig2_DFT_arg_290K_cylR20_desorb.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 125.5 KB - MD5: 76cf23ac9a23ff8d1b5f3b7719a0db7e
fig2_DFT_arg_290K_slit_adsorb.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 125.5 KB - MD5: 3f7954ed3d5cd8ca945c708242250b93
fig2_DFT_arg_290K_slit_desorb.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 125.5 KB - MD5: 9c87b978aca677f9cf52e0edcb1b8513
fig2_TMMC_arg_290K_cylR20.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 75.6 KB - MD5: 869eaa952c69be961c65fa4b50d1dd76
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