@ARTICLE{
author={Hof Marieke AJ,Sewdihal Jeffrey,Stepanovic Stepan M,Hermans Jos H,Horvatovich Peter,Olinga Peter,Klont Frank},
year={2026},
title={Inter-species variability in 4,4′-methylenedianiline metabolism: insights from human and rat precision-cut liver slices},
journal={REGULATORY TOXICOLOGY AND PHARMACOLOGY},
volume={166},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Hof Marieke AJ,De Haan Hessel,Stepanovic Stepan M,Bakker Stephan JL,Hak Eelko,Hopfgartner Gerard,Klont Frank},
year={2025},
title={Pharmacometabolomics Study of Sulfamethoxazole and Trimethoprim in Kidney Transplant Recipients: Real-World Metabolism and Urinary Excretion},
journal={METABOLITES},
volume={15},
number={7},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Stepanovic Stepan M,Ekmekciu Lysi,Alghanem Bandar,Hopfgartner Gerard},
year={2024},
title={Insights into modifiers effects in differential mobility spectrometry: A data science approach for metabolomics and peptidomics},
journal={JOURNAL OF MASS SPECTROMETRY},
volume={59},
number={6},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Stepanovic Stepan M,Hopfgartner Gerard},
year={2023},
title={Predicting Preferences for Adduct Formation in Electrospray Ionization: The Case Study of Succinic Acid},
journal={JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY},
volume={34},
number={4},
pages={562-569},
document_type={Article},
} 

@ARTICLE{
author={Stepanovic Stepan M,Lai Rui,Elstner Marcus,Gruden Maja A,Garcia-Fernandez Pablo,Cui Qiang},
year={2020},
title={Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+U model on nickel coordination compounds},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={22},
number={46},
pages={27084-27095},
document_type={Article},
} 

@ARTICLE{
author={Vlahovic Filip Z,Gruden Maja A,Stepanovic Stepan M,Swart Marcel},
year={2020},
title={Density functional approximations for consistent spin and oxidation states of oxoiron complexes},
journal={INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY},
volume={120},
number={5},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Vlahovic Filip Z,Gruden Maja A,Stepanovic Stepan M,Swart Marcel},
year={2020},
title={Density functional approximations for consistent spin and oxidation states of oxoiron complexes},
journal={INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY},
volume={120},
number={5},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Steen Jorn D,Stepanovic Stepan M,Parvizian Mahsa,De Boer Johannes W,Hage Ronald,Chen Juan,Swart Marcel,Gruden Maja A,Browne Wesley R},
year={2019},
title={Lewis versus Bronsted Acid Activation of a Mn(IV) Catalyst for Alkene Oxidation},
journal={INORGANIC CHEMISTRY},
volume={58},
number={21},
pages={14924-14930},
document_type={Article},
} 

@ARTICLE{
author={Stepanovic Stepan M,Zlatar Matija S,Swart Marcel,Gruden Maja A},
year={2019},
title={The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States},
journal={JOURNAL OF CHEMICAL INFORMATION AND MODELING},
volume={59},
number={5},
pages={1806-1810},
document_type={Article},
} 

@ARTICLE{
author={Cobeljic Bozidar R,Pevec Andrej,Stepanovic Stepan M,Milenkovic Milica R,Turel Iztok,Gruden Maja A,Radanovic Dusanka D,Andjelkovic Katarina K},
year={2018},
title={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},
journal={STRUCTURAL CHEMISTRY},
volume={29},
number={6},
pages={1797-1806},
document_type={Article},
} 

@ARTICLE{
author={Chen Juan,Unjaroen Duenpen,Stepanovic Stepan M,van Dam Annie,Gruden Maja A,Browne Wesley R},
year={2018},
title={Selective Photo-Induced Oxidation with O-2 of a Non-Heme Iron(III) Complex to a Bis(imine-pyridyl)iron(II) Complex},
journal={INORGANIC CHEMISTRY},
volume={57},
number={8},
pages={4510-4515},
document_type={Article},
} 

@ARTICLE{
author={Chen Juan,Stepanovic Stepan M,Draksharapu Apparao,Gruden Maja A,Browne Wesley R},
year={2018},
title={A Non-Heme Iron Photocatalyst for Light-Driven Aerobic Oxidation of Methanol},
journal={ANGEWANDTE CHEMIE-INTERNATIONAL EDITION},
volume={57},
number={12},
pages={3207-3211},
document_type={Article},
} 

@ARTICLE{
author={Stepanovic Stepan M,Angelone D,Gruden Maja A,Swart Marcel},
year={2017},
title={The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2},
journal={ORGANIC & BIOMOLECULAR CHEMISTRY},
volume={15},
number={37},
pages={7860-7868},
document_type={Article},
} 

@ARTICLE{
author={Gruden Maja A,Andjelkovic Ljubica D,Jissy Akkarapattiakal Kuriappan,Stepanovic Stepan M,Zlatar Matija S,Cui Qiang,Elstner Marcus},
year={2017},
title={Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules},
journal={JOURNAL OF COMPUTATIONAL CHEMISTRY},
volume={38},
number={25},
pages={2171-2185},
document_type={Article},
} 

@ARTICLE{
author={Ajdacic Vladimir D,Stepanovic Stepan M,Zlatovic Mario V,Gruden Maja A,Opsenica Igor M},
year={2016},
title={Decarbonylative Dibromination of 5-Phenylthiophene-2-carbaldehyde with Bromine},
journal={SYNTHESIS-STUTTGART},
volume={48},
number={24},
pages={4423-4430},
document_type={Article},
} 

@ARTICLE{
author={Andjelkovic Ljubica D,Stepanovic Stepan M,Vlahovic Filip Z,Zlatar Matija S,Gruden Maja A},
year={2016},
title={Resolving the origin of the multimode Jahn-Teller effect in metallophthalocyanines},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={18},
number={42},
pages={29122-29130},
document_type={Article},
} 

@ARTICLE{
author={Adhikary Jaydeep,Chakraborty Aratrika,Dasgupta Sanchari,Chattopadhyay Shyamal Kumar,Kruszynski Rafal,Trzesowska-Kruszynska Agata,Stepanovic Stepan M,Gruden-Pavlovic Maja A,Swart Marcel,Das Debasis},
year={2016},
title={Unique mononuclear Mn-II complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity},
journal={DALTON TRANSACTIONS},
volume={45},
number={31},
pages={12409-12422},
document_type={Article},
} 

@ARTICLE{
author={Fitzpatrick AJ,Stepanovic Stepan M,Mueller-Bunz H,Gruden-Pavlovic Maja A,Garcia-Fernandez Pablo,Morgan GG},
year={2016},
title={Challenges in assignment of orbital populations in a high spin manganese(III) complex},
journal={DALTON TRANSACTIONS},
volume={45},
number={15},
pages={6702-6708},
document_type={Article},
} 

@ARTICLE{
author={Gruden Maja A,Stepanovic Stepan M,Swart Marcel},
year={2015},
title={Spin state relaxation of iron complexes: The case for OPBE and S12g},
journal={JOURNAL OF THE SERBIAN CHEMICAL SOCIETY},
volume={80},
number={11},
pages={1399-+},
document_type={Article},
} 

@ARTICLE{
author={Cobeljic Bozidar R,Pevec Andrej,Stepanovic Stepan M,Spasojevic Vojislav V,Milenkovic Milica R,Turel Iztok,Swart Marcel,Gruden-Pavlovic Maja A,Adaila Kawther,Andjelkovic Katarina K},
year={2015},
title={Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde},
journal={POLYHEDRON},
volume={89},
number={},
pages={271-279},
document_type={Article},
} 

@ARTICLE{
author={Peric Marko R,Garcia-Fuente Amador,Zlatar Matija S,Daul Claude,Stepanovic Stepan M,Garcia-Fernandez Pablo,Gruden-Pavlovic Maja A},
year={2015},
title={Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation},
journal={CHEMISTRY-A EUROPEAN JOURNAL},
volume={21},
number={9},
pages={3716-3726},
document_type={Article},
} 

@ARTICLE{
author={Gruden-Pavlovic Maja A,Stepanovic Stepan M,Peric Marko R,Gueell M,Swart Marcel},
year={2014},
title={A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={16},
number={28},
pages={14514-14522},
document_type={Article},
} 

@ARTICLE{
author={Stepanovic Stepan M,Andjelkovic Ljubica D,Zlatar Matija S,Andjelkovic Katarina K,Gruden-Pavlovic Maja A,Swart Marcel},
year={2013},
title={Role of Spin State and Ligand Charge in Coordination Patterns in Complexes of 2,6-Diacetylpyridinebis(semioxamazide) with 3d-Block Metal Ions: A Density Functional Theory Study},
journal={INORGANIC CHEMISTRY},
volume={52},
number={23},
pages={13415-13423},
document_type={Article},
}