Cosmo-rs Tutorial [new] -

If you’ve ever felt that traditional group-contribution methods like UNIFAC fall short when dealing with complex molecules or ionic liquids, you’ve likely encountered .

This is the standard level of theory for COSMO-RS. It balances speed and accuracy. cosmo-rs tutorial

Install:

! BP86 def2-TZVP COSMO(eps=infinity) %cosmo epsilon 9999.0 rsolv 2.0 end cosmo-rs tutorial

pip install cosmors