Professor Steven Kass

This group is carrying out electronic structure computations on a variety of problems but focuses on small molecule metal-free organic catalysts, earth-abundant non-toxic metal containing catalysts, and the development of weakly coordinating cations so as to enhance the reactivity (basicity and nucleophilicity) of anions. Mechanisms, new catalyst structures, and potential weakly coordinating cations will be probed to facilitate the development of practical reagents. This will be accomplished by carrying out extensive computations on substrates of interest, reaction transition state structures, and model compounds.