adf:faqofcosmo-rs
这是本文档旧的修订版！
COSMO-RS模块计算过程中的常见问题及解决
- 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）
adf/faqofcosmo-rs.1514715118.txt.gz · 最后更改: 2017/12/31 18:11 由 liu.jun