TURBOMOLE Users Forum
TURBOMOLE Modules => Treatment of Solvation Effects with COSMO => Topic started by: kany on June 10, 2015, 06:13:21 PM
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Hi there,
I'm wondering if someone can tell me how COSMO is parameterized (basis set, level of theory) or if there is a publication where it is discussed in detail.
My question is related to a publication from 2010 "Comment on the Correct Use of Continuum Solvent Models" by Ho et al. (J. Phys. Chem. A 2010, 114, 13442–13444) where it is stated that the solvation energy should always be calculated at the same level of theory as the CSM is parameterized.
Thanks a lot.
Mauro
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There is even a book about it, written by Andreas Klamt.