Various experimental and computational techniques are employed to study catalytic mechanisms. Techniques such as X-ray diffraction (XRD), Nuclear Magnetic Resonance (NMR) spectroscopy, and Infrared (IR) spectroscopy provide insights into the structural and electronic properties of catalysts. Computational methods, including Density Functional Theory (DFT), allow for the simulation of catalytic processes at the atomic level, providing a deeper understanding of the reaction pathways and intermediates.
