On the occasion of Professor Odile Eisenstein’s 70th birthday and her stepping down as Associate Editor of ACS Catalysis, we reflect on and highlight her distinguished career in computational chemistry and homogeneous catalysis. In this Review, we present selected examples of her early work on the computational understanding of transition-metal complexes and the evolution of the field toward the quantitative reproduction of these systems, with a final focus on her specific contributions to important catalytic processes including olefin metathesis, σ-bond metathesis, and catalytic oxidations.
