| Issue Date | Title | Author(s) |
| 5-Jan-2016 | Control of a photoswitching chelator by metal ions: DFT, NBO, and QTAIM analysis | Dimić, Dušan ; Petković, Milena |
| 27-Jun-2024 | Crystal Structure, Theoretical Analysis, and Protein/DNA Binding Activity of Iron(III) Complex Containing Differently Protonated Pyridoxal-S-Methyl-Isothiosemicarbazone Ligands | Jevtovic, Violeta; Golubović, Luka; Alshammari, Badriah; Alshammari, Maha Raghyan; Rajeh, Sahar Y; Alreshidi, Maha Awjan; Alshammari, Odeh A O; Rakić, Aleksandra ; Dimić, Dušan |
| 1-Dec-2023 | Crystallographic Structure and Quantum-Chemical Analysis of Biologically Active Co(III)-Pyridoxal–Isothiosemicarbazone Complex | Abdulaziz, Fahad; Alabbosh, Khulood Fahad; Alshammari, Odeh Abdullah Odeh; Tuwalah, Wasan Mohammed Bin; Alanazi, Tahani Y.A.; Rakić, Aleksandra ; Barić, Miljan; Marković, Milica ; Jevtovic, Violeta; Dimić, Dušan |
| 5-Jun-2018 | Experimental and theoretical elucidation of structural and antioxidant properties of vanillylmandelic acid and its carboxylate anion | Dimić, Dušan ; Milenković, Dejan; Ilić, Jelica; Šmit, Biljana; Amić, Ana; Marković, Zoran; Dimitrić Marković, Jasmina |
| 1-Nov-2018 | The importance of specific solvent–solute interactions for studying UV–vis spectra of light-responsive molecular switches | Dimić, Dušan |
| 19-Sep-2024 | Molecular Aspects of the Interactions between Selected Benzodiazepines and Common Adulterants/Diluents: Forensic Application of Theoretical Chemistry Methods | Džodić, Jelica; Marković, Milica ; Milenković, Dejan; Dimić, Dušan |
| 1-Jan-2018 | Reactivity of the coumarine derivative towards cartilage proteins: combined NBO, QTAIM, and molecular docking study | Milenković, Dejan; Avdović, Edina H.; Dimić, Dušan ; Bajin, Zoran; Ristić, Branko; Vuković, Nenad; Trifunović, Srećko R.; Marković, Zoran S. |
| 1-Sep-2022 | Spectroscopic, molecular docking, and ecotoxicology analyses of the monomer and dimers of 3-aminocyclohexa-2,6-diene-1-sulfonic acid – a theoretical approach | Ramarajan, Devarajan; Đorović Jovanović, Jelena; Marković, Zoran; Dimić, Dušan ; Sudha, Shanmugam |
| 15-Apr-2017 | Structural and spectral analysis of 3-metoxytyramine, an important metabolite of dopamine | Dimić, Dušan ; Milenković, Dejan; Marković, Zoran; Dimitrić Marković, Jasmina |
| 5-Jan-2022 | Structural, spectroscopic (IR, Raman, and NMR), quantum chemical, and molecular docking analysis of (E)-2-(2,5-dimethoxybenzylidene)hydrazinecarbothioamide and its dimers | Shobana, D.; Sudha, S.; Ramarajan, D.; Ristivojević, Nikola; Rakić, Aleksandra ; Dimić, Dušan |
| 5-Apr-2022 | Structural, spectroscopic, quantum chemical, and molecular docking investigation of (E)-N'-(2,5-dimethoxybenzylidene)picolinohydrazide | Kavitha, Eswaran; Ramarajan, Devarajan; Rakić, Aleksandra ; Dimić, Dušan ; Sudha, Shanmugam; Nirmala, Putta Narasimhan |
| 1-May-2023 | Synthesis, structural and spectral investigations of an optically active E-N′-(3,4-dimethoxybenzylidene)− 4-fluorobenzohydrazide crystal | Shobana, D.; Sudha, S.; Dimić, Dušan ; Ramarajan, D. |
| 8-Mar-2024 | Theoretical Insights into Different Complexation Modes of Dioxovanadium(V) Compounds with Pyridoxal Semicarbazone/Thiosemicarbazone/S-Methyl-iso-thiosemicarbazone Ligands | Alshammari, Odeh Abdullah Odeh; Maisara, Sawsan; Alshammari, Badriah; Alshammari, Maha Raghyan; Rakic, Violeta; Dimitrić Marković, Jasmina ; Jevtovic, Violeta; Dimić, Dušan |
| 1-Sep-2024 | Theoretical Study of the Effects of Different Coordination Atoms (O/S/N) on Crystal Structure, Stability, and Protein/DNA Binding of Ni(II) Complexes with Pyridoxal-Semi, Thiosemi, and Isothiosemicarbazone Ligand Systems | Jevtovic, Violeta; Rakić, Aleksandra ; Alshammari, Odeh A.O.; Alhar, Munirah Sulaiman; Alenezi, Tahani; Rakic, Violeta; Dimić, Dušan |
