Activating Bonds: Rational Design of Iron-Based Catalysts for Cross-Coupling

X. Sun

Research output: PhD ThesisPhD-Thesis - Research and graduation internal

543 Downloads (Pure)
Original languageEnglish
Awarding Institution
  • Vrije Universiteit Amsterdam
  • Bickelhaupt, Matthias, Supervisor
  • Fonseca Guerra, Celia, Supervisor
  • Hamlin, Trevor A., Co-supervisor
Award date16 Sept 2019
Publication statusPublished - 2019


  • activation strain model; catalyst design; homogeneous catalysis; iron catalyst; molecular orbital theory; density functional calculations.

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