title: Treatment of substitution and rearrangement mechanisms of transition metal complexes with quantum chemical methods.
authors.affiliation: Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Switzerland. francois.rotzinger@epfl.ch
authors.forename: François P
authors.initials: FP
authors.lastname: Rotzinger
mesh_terms: D003198:Computer Simulation; D004583:Electrons; D008024:Ligands; D008956:Models, Chemical; D009942:Organometallic Compounds / Q000737:chemistry*; D011789:Quantum Theory; D028561:Transition Elements / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D008024:Ligands; D009942:Organometallic Compounds; D028561:Transition Elements; D014867:Water