Theo's research project is focused on the application of molecular modelling to understand the reactivity and reactions of organometallic pincer complexes. His investigation emphases on the use of theoretical and computational methods to study reaction kinetics and thermodynamics, with the objectives of Identifying key factors in reaction mechanism. He is particularly interested in the calculation of transition states to explain experimental outcomes for catalytic processes with nickel complexes.
Research Interests Keywords
ab initio calculations
transition state theory
organometallic chemistry homogeneous catalysis