Why do certain DFT methods give good results for ring-opening reactions while others do not?
Gino DiLabio and Iain Mackie at University of Albaerta, in Canada, try to answer this question in this timely paper on radical clock reactions.
You can read it for free until the end of May.
This paper will be included in the special web themed issue on radical chemistry in memory of Athel Beckwith that will be published soon. Keep an eye on it!
Ring-opening radical clock reactions: many density functionals have difficulty keeping time
Iain D. Mackie and Gino A. DiLabio
Org. Biomol. Chem., 2011, 9, 3158-3164
DOI: 10.1039/C0OB01246G