I already have done calculations using the default PCM method in gamess and I am trying to look at how the values change when using other methods that are proven to have better results.
Hari S Muddana
COSMO-RS and SMD solvation models are generally better at obtaining experimental hydration free energies of small molecules. Note that these solvation models have empirical parameters, and are parameterized using small molecules (dG_sol > -15 kcal/mol). You should expect 5-10% error in any of the implicit solvation models.
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