name |
institute |
WG |
metals |
techniques |
resources |
expt/comp |
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.
|
Alex Domingo |
KU Leuven |
WG 4 |
Cr,
Mn,
Fe,
Co,
Ni,
Cu
|
CASSCF/CASPT2, NEVPT2, DDCI, Orbital Localization, CPMD
|
-
|
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.
|
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.
|
Marcel Swart |
Univ. Girona & ICREA |
WG 4 |
Fe,
Mn,
Co,
Ni
|
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.
|
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. |