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adf:faqofcosmo-rs

COSMO-RS常见问题及解决方式[目录]

  • 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.txt · 最后更改: 2020/05/18 11:56 由 liu.jun

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