The COSMO-RS program

The ADF COSMO-RS command line program crs is described here, including all input options.

Running the COSMO-RS program
COSMO-RS parameters
General parameters
Element specific parameters
Compounds
Temperature
Pressure
Properties
Solvent vapor pressure
Solvent boiling temperature
Log partition coefficients solute
Activity coefficients solute
Solubility solute in solvent
Binary mixture
Analysis
Sigma-profile
Sigma-potential

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