Why are Quantum Chemical Models Important in Catalysis?
Catalysis involves complex chemical reactions that occur on the surface or within the structure of a catalyst. To design more efficient catalysts, it is important to understand these reactions at the molecular level. Quantum chemical models provide insights into reaction mechanisms, activation energies, and intermediates, enabling the rational design of catalysts. They help in identifying active sites, understanding adsorption phenomena, and predicting the behavior of catalysts under different conditions.
