Transition metals

Fe: Iron

name institute WG metals techniques resources expt/comp
Frédéric Banse Univ. Paris Sud WG 4 Fe, Mn, Ru, Ni, Co Coordination chemistry, UV-vis, Spectroelectrochemistry, cyclic voltammetry, EPR, stopped flow UV-vis, Fluorimeter, Potentiostat, EPR, Stopped flow, Glovebox, X-ray, Mass Spect. Exp.
Paola Belanzoni Univ. of Perugia WG 3, WG 4 Fe, Cu, Mn, Ir, Au TS local., MECP, DFT CPUs Comp.
Sylvestre Bonnet Leiden University WG 3, WG 4 Fe, Ru Spin Crossover, Molecular Materials, Light Activated Anticancer Drugs, Liposomes Synthetic Lab, SQUID, Mass Spec., UV-vis, GC, Emission Spec. (300-1500 nm), and Infrared Spec. (500-2200 cm-1). Exp.
George Britovsek Imperial College London WG 3, WG 4 Fe, Co, Mn Paramagnetic NMR, UV-vis, Evans' NMR Paramagnetic NMR, UV-vis, Evans' NMR Exp.
Ewa Broclawik Jerzy Haber Institute of Catalysis, Polish Academy of Sciences WG 2 Fe, Co, Cu DFT, WF techniques, active site modeling local cluster, access to supercomputers at CYFRONET Comp.
Sally Brooker Univ. of Otago WG 3 Fe, Co Synthesis, Structure determination, Magnetic measurements Agilent diffractometer, Versalab magnetometer (50-400 K), Mossbauer Spec. (4.6-298 K) Exp.
Eric Collet Institut de Physique de Rennes and Universite de Rennes 1 WG 3 Fe Photo-crystallography, Ultrafast X-ray, Femtosecond optical Spect. Photocrystallography 4 circles diffractometer, Femtosecond laser Spect. Exp.
Peter Comba Univ. of Heidelberg WG 3, WG 4 Cr, Mn, Fe, Co, Ni, Cu Synthesis, structures, UV-vis-NIR, EPR, NMR, IR, Raman, Kinetics, LFT Preparative labs, UV-vis-NIR, EPR, NMR, Computational Chemistry Exp.
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.
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.
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.
Rob Deeth Univ. Warwick WG 3 Fe, Co, Cu, Zn, Pt DFT, MM, MD, KinMC, LFT CPUs 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.
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.
Malcolm Halcrow Univ. of Leeds WG 3 Fe, Co, Cu Synthesis, Crystallography, Magn. Measures, EPR, Elect. Synthesis lab., NMR, Single crystal and X-ray, SQUID magnetometer,EPR, Voltam., DSC/TGA, UV/vis/NIR Exp.
Radovan Herchel Palacky Univ. WG 3 Mn, Fe, Co, Ni, Cu Magnetic data measurement (DC/AC data), Theoretical analysis of magnetic data with spin Hamiltonian, DFT/CASSCF calculations MPMS XL7 SQUID magnetometer, PPMS Dynacool system (VSM+Heat capacity+electric properties) Comp., Exp.
Christelle Hureau LLC du CNRS WG 2, WG 4 Cu, Fe, Zn, Mn, Ru, Pt - - Exp.
Kasper Kepp Techn. Univ. Denmark WG 2, WG 3 Mn, Fe, Co, Ni, Cu, Zn DFT, QM/MM, MD, bioinformatics, phylogenetics CPUs, coffee Comp.
Vladimir Kokozay Taras Shevchenko National Univ. of Kyiv WG 4 V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Cd, Pb Coordination Chemistry, Inorganic synthesis, Spectroscopic methods
Leeor Kronik Univ. Weizmann Institute of Science WG 3 Cu, Fe, Ru, Mn, Zn, Ni, Sc, Ti, V, Co, Cr DFT, Many-body Perturbation Theory Supercomp. Comp.
Panayotis Kyritsis Univ. of Athens WG 2, WG 4 Cu, Fe, Mn, Ni, Co Inorganic Synthesis, NMR, EPR, Elect. NMR, Potentiostats, Glove Box, Vacuum Lines Exp.
Giovanni La Penna National research council WG 2 Zn, Fe, Cu Molecular modeling High-performance computer infrastructures Comp.
Christian Limberg Humboldt-Univ. Berlin WG 4 FeII, FeIII, NiI, NiII, CrII-CrVI, CuI, CuII, MoIV-MoVI Modeling metal-oxygen systems; Biomimetic O2 activation and oxidation; Activation of N2, H2 and CO2; Functional materials GC/MS, ESI/MS, UV-Vis, Raman Spectrometer, closed cycle cooled 57Fe-Mössbauer Exp.
Aidan McDonald Univ. of Dublin, Trinity College WG 4 Fe, Ni, Cu Synthesis, High-valent oxidants, UV-Vis, EPR, Raman, NMR, XPS, FT-IR NMR, low temperature UV-vis, Raman Exp.
Franc Meyer Georg-August-University Göttingen WG 3, WG 4 Fe, Ni, Cu, Zn, Ru Synthesis, Spectroscopy NMR, EPR, UV/vis/NIR, IR, Raman, Mössbauer Spectr., Single crystal X-ray diffraction, SQUID magnetometry, Mass Spectr. Exp.
Karsten Meyer Friedrich-Alexander University Erlangen - Nürnberg WG 3 U, Mn, Fe, Co EPR, Magnetism, Mössbauer Low temp. X-ray, NMR, EPR, Mössbauer Spect., VT-VF SQUID magnetometer Exp.
Maylis Orio Aix Marseille Université WG 2, WG 4 Fe, V, Mn, Co, Ni, Cu DFT, CASSCF, MRCI / EPR CPUs, Supercomp. Comp.
Edwin Otten Univ. of Groningen WG 3, WG 4 Fe, Ti, Zn, Ru, Zr, Nb, Ta Crystallography, NMR, EPR, DFT, Handling air-sensitive compounds X-ray, NMR, Glovebox Exp.
Patrina Paraskevopoulou Univ. of Athens WG 3, WG 4 Fe, Mn, Co, Cu, W, Mo, Re Inert atmosphere techniques, UV-Vis, IR, NMR, Electro. Glove box, Vacuum lines, NMR, UV-Vis, FT-IR, Fluorescence, GC, TGA, Electro., Viscometer Exp.
Quan Phung KU Leuven WG 2, WG 4 Mn, Fe, Ru DFT, CCSD(T), CASSCF/CASPT2, NEVPT2 Supercomputing VSC Belgium Comp.
Kristine Pierloot Univ. of Leuven WG 2, WG 4 Fe, Mn, Ru, Co, Mo Multiconfigurational methods (CASPT2, RASPT2), DFT, CC methods Computer cluster, Supercomp., Molcas, Molpro, Gaussian, Turbomole Comp.
Balazs Pinter Free University Brussels WG 3 Fe, Ti, V, Ru, Co, Ni, Pd, Cu, Ag, Pt, Au DFT, NCI method, NOCV analysis, Energy Decomposition Analysis Gaussian09, ORCA, ADF2013, molpro, Hydra supercomputer VUB/ULB 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.
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.
Biprajit Sarkar Freie Universität Berlin WG 3, WG 4 Fe, Co, Ni, Cu, Ru Electrochemistry, UV-vis-NIR Spectroscopy, IR Spectroscopy, EPR Spectroscopy, Spectroelectrochemistry, Synthesis Potentiostats, Spectroelectrochemical Cells, UV-vis-NIR Spectrometer, IR Spectrometer, EPR Spectrometer, NMR Spectrometers, Diffractometers, Mass Spectrometers Exp.
Jalila Simaan CNRS / Aix Marseille University WG 2, WG 4 Cu, Fe Inorganic synthesis, Metal containing biological systems, Reactivity, Kinetics, EPR Chemistry and Biology lab., FPLC, HPLC, GC, GC-MS, Fluorimeter, Stopped-flow, Cryo-stopped flow Exp.
Marie Sircoglou Univ. Paris Sud WG 4 Fe, Mn, Ru, Ni, Co Coordination chemistry, UV-vis, Spectroelectrochemistry, cyclic voltammetry, EPR, stopped flow UV-vis, Fluorimeter, Potentiostat, EPR, Stopped flow, Glovebox, X-ray, Mass Spect. 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.
Marcel Swart Univ. Girona & ICREA WG 4 Fe, Mn, Co, Ni, Cu, Zn DFT, MM CPUs, Supercomp. Comp.
Olga Vassilyeva Taras Shevchenko National Univ. of Kyiv WG 4 Cr, Mn, Fe, Co, Ni, Cu, Zn, Cd, Pb Inorganic synthesis, Spectroscopic methods, X-ray, Photoluminescence Synthetic Lab, UV-Vis, IR, NMR, EPR (X-band), fluores./phosphores. spectr., powder X-ray diffractometer Exp.
Sergi Vela Univ. Strasbourg WG 3 Fe, Cu, Ni CASSCF, (TD-)DFT - Comp.
Dijana Zilic Rudjer Boskovic Institute WG 3 Cu, Cr, Co, Mn, Ni, Fe ESR/EPR spectroscopy (X-band and high field) Croatian Science Foundation Exp.
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