Why Are Quantum Mechanical Models Important in Catalysis?
Quantum mechanical models are crucial in catalysis for several reasons:
1. Predicting Reaction Mechanisms: These models can predict the most likely pathways for chemical reactions, helping chemists understand how catalysts work at a fundamental level. 2. Designing New Catalysts: By understanding the electronic structure of catalysts, researchers can design new catalysts with improved performance. 3. Energy Calculations: Quantum mechanical methods provide accurate calculations of reaction energies and barriers, which are essential for understanding reaction kinetics.
