Grimme published the DRACO (repository) method for solvation. It works by adjusting the radius of atoms in molecules, improving the performance of solvation models like COSMO, SMD or CPCM.
Implementing it would require running the DRACO program on the molecule of interest and then using those radii for subsequent COSMO calculations.
Grimme published the DRACO (repository) method for solvation. It works by adjusting the radius of atoms in molecules, improving the performance of solvation models like COSMO, SMD or CPCM. Implementing it would require running the DRACO program on the molecule of interest and then using those radii for subsequent COSMO calculations.