O-Th-408-10 Degree of Rate Control Approach to Computational Catalyst Screening

Thursday, June 18, 2015: 1:30 PM
408-410 (Lawrence Convention Center)
Charles T. Campbell, University of Washington, USA.
A new method for catalyst screening that uses the "degrees of rate control" to identify descriptors is introduced.  The method is compared to previous approaches.  It is simpler and even more accurate for materials that are similar to the reference material, but fails when the materials differ by much..

Extended Abstracts: