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name institute WG metals techniques resources expt/comp
Mariusz Radoń Jagiellonian Univ. Kraków WG 2 Fe, Mn, Co, Cu, Ru, Mo Multiconfigurational methods (CASSCF, CASPT2, RASPT2, NEVPT2), DFT, CC methods Local computer cluster and access to supercomputing centers (CYFRONET, WCSS) Comp.
Kallol Ray Humboldt-University Berlin WG 4 Fe, Co, Ni, Cu Synthesis, Kinetics, High-Valent Metal-Oxo, Metal-Nitrenes, Dioxygen activation, water oxidation UV-Vis fitted with cryostat (-100 to +100 °C), X-ray absorption spectroscopy Exp.
Vincent Robert Univ. Strasbourg WG 3 Fe, Ni, Co CASSCF + PT2, DDCI, localization approaches, model Hamiltonians MOLCAS, CIPSI Comp.
Daniel Ruiz-Molina Institut Català de Nanociència I Nanotecnologia WG 3, WG 4 Co, Fe, Ni, Mn, Zn Nanostructuration, Spin transition, Redox-active ligands Chemical lab and scale-up capabilities, Spectroscopies, Optical and electron microscopy, TEM, X-ray, TG-DSC, SQUID, XPS Exp.
Ulf Ryde Univ. of Lund WG 2, WG 4 Fe, Co, Ni, Cu, Zn, Mn, Mo, W, Ca, Mg DFT, QM/MM, Quantum refinement, QM/MM+EXAFS, Free-energy perturbations Computers Comp.
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