Gaussian: Born solvation model
- From: Francois Dupradeau <fyd : at : u-picardie.fr>
- Subject: Gaussian: Born solvation model
- Date: Fri, 9 Nov 2001 16:55:21 +0100 (CET)
Dear All,
I think it is possible to get solvation energy of models in Gaussian based
on the Born model of solvation (by a continuum dielectric). Using this
approach do we get the total energy (Egaz_phase + Esolvation) or ONLY the
solvation energy (Esolvation) in the Gaussian ouputs ?
(We do not have Gaussian in the lab for the moment)
Thanks, Best regards,
FyD