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name institute WG metals techniques resources expt/comp
Chantal Daniel Univ. Strasbourg WG 3 Fe, Cr, Mn, Ni, Co, Cu, Zn, Ru, Pd, Re, Pt, Ir, Os CASSCF/MS-CASPT2; MRCI; EOM-CCSD ; DFT/TD-DFT ADF; MOLCAS, MOLPRO; DALTON ; ACESII Comp.
Claude Daul Univ. of Fribourg WG 3, WG 4 All d- and f-elements LFT, DFT, Numerical Math High Performance Computer Comp.
Serena DeBeer Max Planck Institute CEC, Mülheim WG 2, WG 4 Fe, Mn - - Exp.
Bas de Bruin Univ. of Amsterdam WG 4 Fe, Co, Ni, Pd, Ru, Rh, Ir EPR, DFT, NMR, IR, UV-vis, Elec., Magn. Susceptibility X-band EPR, DFT (ADF, Orca, Turbomole), NMR, IR, UV-vis, Elec., RT Magn. Susceptibility Exp., Comp.
Coen de Graaf Univ. of Rovira i Virgili and ICREA WG 3, WG 4 Mn, Fe, Ni CASPT2, DDCI, CPMD, calculation of intersystem crossing rates Quantum Chemistry programs, medium-sized computer cluster Comp.
Rob Deeth Univ. Warwick WG 3 Fe, Co, Cu, Zn, Pt DFT, MM, MD, KinMC, LFT CPUs Comp.
Alex Domingo KU Leuven WG 4 Cr, Mn, Fe, Co, Ni, Cu CASSCF/CASPT2, NEVPT2, DDCI, Orbital Localization, CPMD - Comp.
Carole Duboc Univ. Grenoble & CNRS WG 4 Mn, V, Co, Ni, Fe, Cu EPR, Inorganic syn., Catalysis, Electro. EPR, NMR, Electro., UV-vis, IR, ORCA Exp.
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