How Do Wavefunctions Help in Understanding Reaction Mechanisms?
By examining the wavefunctions of reactants, intermediates, and products, researchers can map out the potential energy surface of a catalytic reaction. This surface provides a detailed view of the energy changes that occur during the reaction, including the identification of transition states and activation energies. Understanding these aspects is key to elucidating the reaction mechanism and designing catalysts that lower energy barriers and increase reaction rates.
