name |
institute |
WG |
metals |
techniques |
resources |
expt/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.
|
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.
|
Maylis Orio |
Aix Marseille Université |
WG 2,
WG 4
|
Fe,
V,
Mn,
Co,
Ni,
Cu
|
DFT, CASSCF, MRCI / EPR
|
CPUs, Supercomp. |
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. |
Marcel Swart |
Univ. Girona & ICREA |
WG 4 |
Fe,
Mn,
Co,
Ni
|
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.
|