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.
|
Rob Deeth |
Univ. Warwick |
WG 3 |
Fe,
Co,
Cu,
Zn,
Pt
|
DFT,
MM,
MD,
KinMC,
LFT
|
CPUs
|
Comp. |
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.
|
Giovanni La Penna |
National research council |
WG 2
|
Zn,
Fe,
Cu
|
Molecular modeling
|
High-performance computer infrastructures
|
Comp. |
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. |
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. |
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.
|
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.
|