adf:faqofcosmo-rs
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COSMO-RS常见问题及解决方式[目录]
计算活度系数时的输出:
ΔG (kcal/mol) gas→solute:The solvation Gibbs free energy from the pure compound gas phase
ΔG (kcal/mol) liq→solute:The solvation Gibbs free energy from the pure compound liquid phase
G (kcal/mol) solute:分子在溶液状态的Gibbs自由能(这一项对溶质、溶剂分子均列出了)
参考资料:https://www.scm.com/doc/COSMO-RS/Calculation_of_properties.html
adf/faqofcosmo-rs.1690878015.txt.gz · 最后更改: 2023/08/01 16:20 由 liu.jun