Density functional theory for studying electronic states of aqua- and oxo- first row transition metal complexes

Doktorand: Vlahović, Filip Ž.
Fakultet: Hemijski fakultet
Napomena: Rok za dostavljanje primedbi na doktorsku disertaciju je istekao.
Datum postavljanja na uvid javnosti: 09-03-2020
Datum odbrane: 17-08-2020
Objavljeni radovi:
[1]  Filip Vlahović, Marko Perić, Maja Gruden-Pavlović, Matija Zlatar, Assessment of TD-DFT and LF-DFT for study of d − d transitions in first row transition metal hexaaqua complexes, The Journal of Chemical Physics, 2015, 142, 214111
[2]  Filip Vlahović, Maja Gruden, Stepan Stepanovic, Marcel Swart, Density functional approximations for consistent spin and oxidation states of oxoiron complexes, International Journal of Quantum Chemistry, 2020, 120, 5 e26121