Calculation of the Jahn-Teller parameters with DFT

by Zlatar Matija, Gruden Maja
Published 2019-01-01

Density functional theory calculation of lipophilicity for organophosphate type pesticides

by Vlahović Filip, Ivanović Saša, Zlatar Matija, Gruden Maja
Published 2017-01-01

Nucleus-independent chemical shift profiles along the intrinsic distortion path for Jahn-Teller active molecules. Study on cyclopentadienyl radical and cobaltocene

by Anđelković Ljubica, Perić Marko, Zlatar Matija, Gruden-Pavlović Maja
Published 2015-01-01

Assessment of density functional approximations for calculation of exchange coupling constants in thiocyanato and cyanato double bridged binuclear Ni(II) complexes

by Zlatar Matija, Vlahović Filip, Mitić Dragana, Zlatović Mario, Gruden Maja
Published 2020-01-01

Synthesis, X-ray structure and DFT calculation of magnetic properties of binuclear Ni(II) complex with tridentate hydrazone-based ligand

by Keškić Tanja, Radanović Dušanka, Pevec Andrej, Turel Iztok, Gruden Maja, Anđelković Katarina, Mitić Dragana, Zlatar Matija, Čobeljić Božidar
Published 2020-01-01