CCL: Sulfur basis set
- From: "Thiago Correra" <tcorrera=-=iq.usp.br>
- Subject: CCL: Sulfur basis set
- Date: Tue, 8 Jul 2008 08:08:28 -0400
Sent to CCL by: "Thiago Correra" [tcorrera(-)iq.usp.br]
Dear CCL subscribers,
I'm wondering if there's not some review or any other information about sulfur
basis set.
I want to model conformational transition states for C=S bond containing
heterocyclic compounds, and I don't know if the 6-311+G(d,p) is a good choice.
There are about 40 atoms in those compounds, and 5 of them are heavy, like
sulfur and clorine, so please, be gentle.
Thanks in advance,
Thiago Correra - tcorrera*o*iq.usp.br
Instituto de Qumica, Universidade de So Paulo - Brasil.