Assess students' ability to analyze enzymatic reaction mechanisms and transition states by interpreting experimental kinetic isotope effect (KIE) data and integrating computational modeling (DFT, QM/MM). Tasks include identifying rate-determining steps, distinguishing primary versus secondary KIEs and tunneling contributions, using computed transition-state geometries and vibrational frequencies to predict intrinsic KIEs, evaluating discrepancies between experiment and model, and proposing experiments or model refinements to discriminate mechanistic hypotheses.