| 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 | 56 | 2017 |
| Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni (II) complexes with potential molecular magnet behavior M Gruden-Pavlović, M Perić, M Zlatar, P Garcia-Fernandez Chemical Science 5 (4), 1453-1462, 2014 | 53 | 2014 |
| Dissociative electron attachment and electronic excitation in Fe (CO) 5 M Allan, M Lacko, P Papp, Š Matejčík, M Zlatar, II Fabrikant, J Kočišek, ... Physical Chemistry Chemical Physics 20 (17), 11692-11701, 2018 | 48 | 2018 |
| Origin of the Zero-Field Splitting in Mononuclear Octahedral MnIV Complexes: A Combined Experimental and Theoretical Investigation M Zlatar, M Gruden, OY Vassilyeva, EA Buvaylo, AN Ponomarev, ... Inorganic Chemistry 55 (3), 1192-1201, 2016 | 40 | 2016 |
| Excited States of Pt(PF3)4 and Their Role in Focused Electron Beam Nanofabrication M Zlatar, M Allan, J Fedor The Journal of Physical Chemistry C 120 (19), 10667-10674, 2016 | 39 | 2016 |
| Assessment of TD-DFT and LF-DFT for study of d− d transitions in first row transition metal hexaaqua complexes F Vlahović, M Perić, M Gruden-Pavlović, M Zlatar The Journal of Chemical Physics 142 (21), 2015 | 39 | 2015 |
| Spectroscopic and quantum chemical investigations of substituent effects on the azo-hydrazone tautomerism and acid–base properties of arylazo pyridone dyes J Dostanić, D Mijin, G Ušćumlić, DM Jovanović, M Zlatar, D Lončarević Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 123, 37-45, 2014 | 37 | 2014 |
| Structural aspects of 4-aminoquinolines as reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase A Bosak, DM Opsenica, G Šinko, M Zlatar, Z Kovarik Chemico-Biological Interactions 308, 101-109, 2019 | 34 | 2019 |
| Density functional theory study of the Jahn-Teller effect in cobaltocene M Zlatar, CW Schläpfer, E Penka Fowe, CA Daul Pure and Applied Chemistry 81 (8), 1397-1411, 2009 | 30 | 2009 |
| Intrinsic Distortion Path in the analysis of the Jahn–Teller effect M Zlatar, M Gruden-Pavlović, CW Schläpfer, C Daul Journal of Molecular Structure: THEOCHEM 954 (1-3), 86-93, 2010 | 27 | 2010 |
| Treatment of the multimode Jahn–Teller problem in small aromatic radicals M Gruden-Pavlovic, P García-Fernández, L Andjelkovic, C Daul, M Zlatar The Journal of Physical Chemistry A 115 (39), 10801-10813, 2011 | 26 | 2011 |
| General treatment of the multimode Jahn–Teller effect: study of fullerene cations H Ramanantoanina, M Zlatar, P García-Fernández, C Daul, ... Physical Chemistry Chemical Physics 15 (4), 1252-1259, 2013 | 23 | 2013 |
| Highly-efficient N-arylation of imidazole catalyzed by Cu (II) complexes with quaternary ammonium-functionalized 2-acetylpyridine acylhydrazone MR Milenković, AT Papastavrou, D Radanović, A Pevec, Z Jagličić, ... Polyhedron 165, 22-30, 2019 | 22 | 2019 |
| 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 | 22 | 2013 |
| Density functional theory calculation of lipophilicity for organophosphate type pesticides F Vlahović, S Ivanović, M Zlatar, M Gruden Journal of the Serbian Chemical Society 82 (12), 1369-1378, 2017 | 21 | 2017 |
| Computational study of the spin-state energies and UV-Vis spectra of bis (1, 4, 7-triazacyclononane) complexes of some first-row transition metal cations M Zlatar, M Gruden-Pavlović, M Güell, M Swart Physical Chemistry Chemical Physics 15 (18), 6631-6639, 2013 | 21 | 2013 |
| Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study J Dostanić, D Lončarević, M Zlatar, F Vlahović, DM Jovanović Journal of hazardous materials 316, 26-33, 2016 | 20 | 2016 |
| DFT study of the Jahn–Teller effect in Cu (II) chelate complexes M Gruden-Pavlović, M Zlatar, CW Schläpfer, C Daul Journal of Molecular Structure: THEOCHEM 954 (1-3), 80-85, 2010 | 20 | 2010 |
| 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 |
| Molecular mechanics study of nickel (II) octaethylporphyrin adsorbed on graphite (0001) M Gruden-Pavlović, S Grubišić, M Zlatar, SR Niketić International Journal of Molecular Sciences 8 (8), 810-829, 2007 | 19 | 2007 |
