A Career in Catalysis: Odile Eisenstein

David Balcells , Eric Clot , Stuart Macgregor , Feliu Maseras , Lionel Perrin (1)

1 ITEMM - Interface Theory Experiment : Mechanism & Modeling

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 Account we present selected examples of her early work on the computational understanding of transition metal complexes, the evolution of the field towards the quantitative reproduction of these systems, with a final focus on her specific contributions to important catalytic processes including olefin metathesis, s-bond metathesis, and catalytic oxidations.

Mots clés: molecular orbitals; DFT; dihydrogen complexes; olefin metathesis; s-bond metathesis; catalytic oxidations 2

Domaines: Chimie

David Balcells, Eric Clot, Stuart Macgregor, Feliu Maseras, Lionel Perrin. A Career in Catalysis: Odile Eisenstein. ACS Catalysis, 2019, 9 (11), pp.10375-10388. ⟨10.1021/acscatal.9b02498⟩. ⟨hal-03006418⟩