name |
institute |
WG |
metals |
techniques |
resources |
expt/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. |
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. |
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. |
Ana Popović-Bijelić |
Univ. Belgrade |
WG 2 |
Fe,
Mn
|
EPR spectroscopy and imaging
|
EPR, Raman, MRI
|
Exp.
|