Subject: W:Activation barrier accuracy with B3LYP

From: "Andreas, , Heyden" <a.heyden !=! gmx.net>
Date: Mon, 21 Mar 2005 14:07:59 -0500

Hi,

I have heard that DFT in general underestimates activation barriers for chemical reactions. Does anyone know if this is also the case for hybrid functionals like B3LYP?
If anyone knows good references please let me know.

Regards,
Andreas