CCL: Sulfur basis set

From: Alessandro Contini <alessandro.contini]_[unimi.it>
Subject: CCL: Sulfur basis set
Date: Tue, 08 Jul 2008 16:16:23 +0200

 Sent to CCL by: Alessandro Contini [alessandro.contini\a/unimi.it]
 Hi Thiago,
 check  "[2+4] and [4+2] Cycloadditions of o-Thioquinones with
 1,3-dienes: a Computational Study", A. Contini, S. Leone, S. Menichetti,
 C. Viglianisi, P. Trimarco, J. Org. Chem. 2006, 71(15), 5507-5514.
 hope this help
 Alessandro
 Il giorno mar, 08/07/2008 alle 08.08 -0400, Thiago Correra
 tcorrera##iq.usp.br ha scritto:
 > 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#iq.usp.br
 > Instituto de Qumica, Universidade de So Paulo - Brasil.>
 >
 --
 Dr. Alessandro Contini
 Istituto di Chimica Organica "Alessandro Marchesini"
 Universita' degli Studi di Milano, Facolta' di Farmacia
 Via Venezian, 21 20133 Milano
 Tel. +390250314480 Fax. +390250314476
 e-mail alessandro.contini!A!unimi.it
 skype  alessandrocontini