How Does TPSSc Functional Benefit Catalysis Research?
In the context of catalysis, the TPSSc functional provides several advantages: - Improved Accuracy: It offers a more accurate description of transition states and reaction intermediates, crucial for understanding reaction mechanisms. - Versatility: It can be applied to both homogeneous and heterogeneous catalysis, making it a valuable tool for researchers. - Efficiency: While more computationally demanding than GGA functionals, TPSSc is generally more efficient than other hybrid functionals like B3LYP, making it a practical choice for larger systems.
