The COSMO-RS method was implemented in ADF. The COSMO-RS (COnductor like Screening MOdel for Realistic Solvents) method allows the prediction of properties of pure liquids and liquid mixtures, such as:
The new module includes a Graphical User Interface for user-friendly job set up and output visualization. The use of COSMO-RS module in ADF is described in the ADF COSMO-RS Manual and the ADF COSMO-RS GUI tutorial.
