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. |
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. |
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. |
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. |
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.
|
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
|
Synthetic Lab, UV-Vis, IR, NMR, EPR (X-band), Fluores./phosphores. Spec., powder X-ray diffractometer
|
Exp.
|
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.
|
Dominique Luneau |
Université Claude Bernard Lyon 1 |
WG 3,
WG 4
|
Mn,
Cu,
Os, Lanthanides
|
Magnetometry, X-ray
|
SQUID Magnetometer, Single crystal diffractometer
|
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. |
Dimitrios A. Pantazis |
Max Planck Institute for Chemical Energy Conversion |
WG 2,
WG 4
|
Mn,
Co,
Cu
|
Theoretical EPR spectroscopy, DFT, CC, LPNO methods
|
CPUs
|
Comp. |
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. |
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.
|
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.
|
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. |
Marcel Swart |
Univ. Girona & ICREA |
WG 4 |
Fe,
Mn,
Co,
Ni,
Cu,
Zn
|
DFT,
MM
|
CPUs,
Supercomp.
|
Comp. |
Iztok Turel |
Univ. of Ljubljana |
WG 3,
WG 4
|
Ru,
V,
Mn,
Co,
Ni,
Cu,
Zn,
Mg
|
Synthesis, Spectroscopic methods, X-ray crystal structure analysis
|
SuperNova diffractometer, NMR, UV-Vis, FTIR, ESI-HRMS
|
Exp.
|
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.
|
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. |