Author Topic: parameterization of COSMO  (Read 1569 times)

kany

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parameterization of COSMO
« on: June 10, 2015, 06:13:21 pm »
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, 1344213444) 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


christof.haettig

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Re: parameterization of COSMO
« Reply #1 on: October 01, 2015, 11:05:45 am »
There is even a book about it, written by Andreas Klamt.