From owner-chemistry@ccl.net Fri Aug 5 16:44:01 2011 From: "Lars Goerigk lars.goerigk===uni-muenster.de" To: CCL Subject: CCL: dft for radicals? Message-Id: <-45212-110805081118-4528-YXTZpTquWN8nmlvJpV/kZw * server.ccl.net> X-Original-From: Lars Goerigk Content-Transfer-Encoding: 8bit Content-Type: Text/Plain; charset="iso-8859-1" Date: Fri, 5 Aug 2011 14:11:08 +0200 MIME-Version: 1.0 Sent to CCL by: Lars Goerigk [lars.goerigk^^uni-muenster.de] Hi, besides the data for the GMTKN30 subset (as already suggested), you could also have a look at some of Leo Radoms recent publications (of the last 2-3 years) on RSEs and BDEs. The Radom group also comes to the conclusion that double-hybrids work particularly well for radicals. Best wishes, Lars -- Dr. Lars Goerigk Theoretical Organic Chemistry Organisch-Chemisches Institut Universität Münster Corrensstrasse 40 48149 Münster Germany Tel.: +49 251-83-33268