What Challenges Exist in Reaction Mechanism Exploration?
Several challenges can complicate the exploration of reaction mechanisms: - Complexity: Many catalytic reactions involve multiple steps and intermediates, making it difficult to identify and characterize each one. - Time Scales: Some intermediates and transition states exist for very short timescales, making them hard to detect. - Computational Limitations: Accurate modeling of large, complex systems can be computationally expensive and time-consuming. - Experimental Limitations: Not all species can be easily observed or quantified experimentally.
