Published October 26, 2012 This content is archived.
CCR would like to recommend the following webinar for our Chemistry and Q-Chem users to be held on October 30, 2012 at 4pm: Exploring Reaction Paths Using the Freezing String Method
"For many computational chemists and biologists, it is critically important to efficiently locate transition states in a chemical/biochemical reaction which enables them to accurately predict kinetic constants. In this webinar, we will present a simple and yet powerful method: the freezing string method to construct an approximate reaction path between a pair of known reactant and product. The highest-energy point along the approximate reaction path can then be used as an initial guess for subsequent refinement of the transition state structure. We will demonstrate the use and efficiency of the freezing string method with 2'-butoxide formation in zeolite."
The webinar is being presented by Dr. Martin Head-Gordan, Professor of Chemistry at the University of California, Berkeley and Scientific Advisor for Q-Chem, Inc.
To register for this webinar, please visit the Q-Chem website
