name institute WG metals techniques resources expt/comp
Anna Company Univ. Girona WG 4 Cu, Fe, Ni, Co Synthesis, Kinetics, Dioxygen activation, Metal-oxo UV-Vis fitted with a cryostat, CSI-MS Exp.
Miquel Costas Univ. Girona WG 4 - - - Exp.
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.
Arjan Kleij Inst. Chemical Research (ICIQ) & ICREA WG 3 - - - Exp.
Carme Rovira Univ. Barcelona & ICREA WG 2 - - - 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.
Mariona Sodupe Univ. Autònoma de Barcelona WG 4 Cu, Fe DFT and post-Hartree-Fock methods (CASSCF, CCSD(T)) 58 calculation nodes for a total of 1664 cores Comp.
Carmen Sousa Univ. Barcelona WG 3 - - - Comp.
Marcel Swart Univ. Girona & ICREA WG 4 Fe, Mn, Co, Ni DFT, MM CPUs, Supercomp. Comp.
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