Why are Computational Models Important in Catalysis?
Computational models are crucial in catalysis for several reasons: 1. They help in understanding the mechanisms of catalytic reactions at a molecular level. 2. They enable the prediction of reaction outcomes without the need for costly and time-consuming experiments. 3. They facilitate the design and optimization of new catalysts with enhanced performance. 4. They provide insights into the kinetics and thermodynamics of catalytic processes.
