|
Read
about the SMD implicit solvation model here. Marenich, A. V, Cramer, C. J.,
& Truhlar, D. G. (2009). Universal solvation model based on solute electron
density and on a continuum model of the solvent defined by the bulk dielectric
constant and atomic surface
tensions. The Journal of Physical Chemistry. B, 113(18),
6378–96. doi:10.1021/jp810292n And,
no, you cannot use the keywords smd and iefpcm at the same time, for reasons
which will become apparent when you read the paper.
Also,
read the link below. http://www.gaussian.com/g_tech/g_ur/k_scrf.htm
BW ++++++++++++++++++++++++ Billy
Wayne McCann, Ph.D. Acevedo
Research Auburn
University, AL bwayne
on irc.freenode.net ++++++++++++++++++++++++ From:
owner-chemistry+bwm0005==auburn.edu^^^ccl.net
[mailto:owner-chemistry+bwm0005==auburn.edu^^^ccl.net]
On Behalf Of hanane Louanas hananelouanasa/yahoo.fr Dear
all, I'm
looking for the difference between SMD and IEFPCM ? Is
that I can use both at the same time keywords
(smd/iefpcm)? Best
regards, H.Louanas |