Unique mononuclear Mn II complexes of an end-off compartmental Schiff base ligand: experimental and theoretical studies on their bio-relevant catalytic promiscuity J Adhikary, A Chakraborty, S Dasgupta, SK Chattopadhyay, R Kruszynski, ... Dalton Transactions 45 (31), 12409-12422, 2016 | 59 | 2016 |
Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules M Gruden, L Andjeklović, AK Jissy, S Stepanović, M Zlatar, Q Cui, ... Journal of computational chemistry 38 (25), 2171-2185, 2017 | 55 | 2017 |
A Non‐Heme Iron Photocatalyst for Light‐Driven Aerobic Oxidation of Methanol J Chen, S Stepanovic, A Draksharapu, M Gruden, WR Browne Angewandte Chemie International Edition 57 (12), 3207-3211, 2018 | 40 | 2018 |
Lewis versus Brønsted Acid Activation of a Mn (IV) Catalyst for Alkene Oxidation JD Steen, S Stepanovic, M Parvizian, JW de Boer, R Hage, J Chen, ... Inorganic Chemistry 58 (21), 14924-14930, 2019 | 26 | 2019 |
A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals M Gruden-Pavlović, S Stepanović, M Perić, M Güell, M Swart Physical Chemistry Chemical Physics 16 (28), 14514-14522, 2014 | 26 | 2014 |
Spin state relaxation of iron complexes: the case for OPBE and S12g functionals M Gruden, S Stepanovic, M Swart Journal of the Serbian Chemical Society 80 (11), 1399-1410, 2015 | 25 | 2015 |
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 S Stepanovic, L Andjelkovic, M Zlatar, K Andjelković, M Gruden-Pavlović, ... Inorganic Chemistry 52 (23), 13415-13423, 2013 | 23 | 2013 |
Magnetic Anisotropy in “Scorpionate” First‐Row Transition‐Metal Complexes: A Theoretical Investigation M Perić, A García‐Fuente, M Zlatar, C Daul, S Stepanović, ... Chemistry–A European Journal 21 (9), 3716-3726, 2015 | 19 | 2015 |
Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni (II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde B Čobeljić, A Pevec, S Stepanović, V Spasojević, M Milenković, I Turel, ... Polyhedron 89, 271-279, 2015 | 18 | 2015 |
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 … B Čobeljić, A Pevec, S Stepanović, MR Milenković, I Turel, M Gruden, ... Structural Chemistry 29, 1797-1806, 2018 | 16 | 2018 |
Resolving the origin of the multimode Jahn–Teller effect in metallophthalocyanines L Andjelković, S Stepanović, F Vlahović, M Zlatar, M Gruden Physical Chemistry Chemical Physics 18 (42), 29122-29130, 2016 | 14 | 2016 |
The role of spin states in the catalytic mechanism of the intra-and extradiol cleavage of catechols by O 2 S Stepanović, D Angelone, M Gruden, M Swart Organic & Biomolecular Chemistry 15 (37), 7860-7868, 2017 | 13 | 2017 |
Challenges in assignment of orbital populations in a high spin manganese (III) complex AJ Fitzpatrick, S Stepanovic, H Mueller-Bunz, MA Gruden-Pavlović, ... Dalton Transactions 45 (15), 6702-6708, 2016 | 13 | 2016 |
Density functional approximations for consistent spin and oxidation states of oxoiron complexes F Vlahovic, M Gruden, S Stepanovic, M Swart International Journal of Quantum Chemistry 120 (5), e26121, 2020 | 12 | 2020 |
Selective Photo-Induced Oxidation with O2 of a Non-Heme Iron(III) Complex to a Bis(imine-pyridyl)iron(II) Complex J Chen, D Unjaroen, S Stepanovic, A van Dam, M Gruden, WR Browne Inorganic Chemistry 57 (8), 4510-4515, 2018 | 9 | 2018 |
Untargeted ‘SWATH’mass spectrometry-based metabolomics for studying chronic and intermittent exposure to xenobiotics in cohort studies F Klont, S Stepanović, D Kremer, R Bonner, DJ Touw, E Hak, SJL Bakker, ... Food and Chemical Toxicology 165, 113188, 2022 | 6 | 2022 |
The Irony of Manganocene: An Interplay between the Jahn–Teller Effect and Close-Lying Electronic and Spin States S Stepanovic, M Zlatar, M Swart, M Gruden Journal of Chemical Information and Modeling 59 (5), 1806-1810, 2019 | 6 | 2019 |
Synthesis of orthogonally protected (±)-3-amino-4-anilidopiperidines and (±)-3-N-carbomethoxyfentanyl II Jevtić, LI Došen-Mićović, ER Ivanović, NM Todorović, MD Ivanović Synthesis 49 (14), 3126-3136, 2017 | 6 | 2017 |
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 … S Stepanovic, R Lai, M Elstner, M Gruden, P Garcia-Fernandez, Q Cui Physical Chemistry Chemical Physics 22 (46), 27084-27095, 2020 | 5 | 2020 |
High-yielding method for preparation of carbocyclic or N-containing heterocyclic β-keto esters using in situ activated sodium hydride in dimethyl sulphoxide J Popović-Djordjević, S Stepanović, L Došen-Mićović, E Ivanović, ... Green Chemistry Letters and Reviews 9 (1), 61-68, 2016 | 5 | 2016 |