How do Quantum Mechanical Methods Benefit Catalysis Research?
Quantum mechanical methods offer several advantages in catalysis research:
Accuracy: These methods can predict reaction energies, activation barriers, and other properties with high precision. Mechanistic Insights: They help in elucidating the detailed steps involved in catalytic cycles, enabling the design of more efficient catalysts. Material Design: By understanding the electronic properties of materials, researchers can tailor catalysts for specific reactions.
