Stepan Stepanovic
Affiliations: | 2014-2018 | IQCC | ICREA Research Professor @ Universitat de Girona |
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| Stepanovic S, Lai R, Elstner M, et al. (2020) Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+ model on nickel coordination compounds. Physical Chemistry Chemical Physics : Pccp |
| Steen JD, Stepanovic S, Parvizian M, et al. (2019) Lewis versus Brønsted Acid Activation of a Mn(IV) Catalyst for Alkene Oxidation. Inorganic Chemistry |
| Stepanovic S, Zlatar M, Swart M, et al. (2019) The Irony of Manganocene - An Interplay Between the Jahn-Teller Effect and Close Lying Electronic and Spin States. Journal of Chemical Information and Modeling |
| Vlahovic F, Gruden M, Stepanovic S, et al. (2019) Density functional approximations for consistent spin and oxidation states of oxoiron complexes International Journal of Quantum Chemistry. 120 |
| Chen J, Unjaroen D, Stepanovic S, et al. (2018) Selective Photo-Induced Oxidation with Oof a Non-Heme Iron(III) Complex to a Bis(imine-pyridyl)iron(II) Complex. Inorganic Chemistry |
| Browne WR, Chen J, Draksharapu A, et al. (2018) A non-heme iron photocatalyst for light driven aerobic oxidation of methanol. Angewandte Chemie (International Ed. in English) |
| Andjelković L, Stepanović S, Vlahović F, et al. (2018) Resolving the origin of the multimode Jahn-Teller effect in metallophthalocyanines. Physical Chemistry Chemical Physics : Pccp. 18: 29122-29130 |
| Čobeljić B, Pevec A, Stepanović S, et al. (2018) Structural diversity of isothiocyanato Cd(II) and Zn(II) Girard’s T hydrazone complexes in solution and solid state: effect of H-bonding on coordination number and supramolecular assembly of Cd(II) complex in solid state Structural Chemistry. 29: 1797-1806 |
| Stepanović S, Angelone D, Gruden M, et al. (2017) The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2. Organic & Biomolecular Chemistry |
| Gruden M, Andjeklović L, Jissy AK, et al. (2017) Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules. Journal of Computational Chemistry |