| Issue Date | Title | Author(s) |
| 1 | 11-Nov-2024 | Crown Ether-Magnesium Ion Complexes: A Reliable Theoretical Estimation of Host-Guest Interaction and Binding Energies in a Solvent | Ćeranić, Katarina; Milovanović, Branislav ; Petković, Milena |
| 2 | 15-Oct-2024 | Innovative hybrid and bifunctional rare earth complexes as corrosion inhibitors for AA2024 Alloy: Electrochemical and surface analysis enhanced by DFT/MD simulation | Simović, Anđela; Milovanović, Branislav ; Etinski, Mihajlo ; Matović, Luka; Bajat, Jelena B. |
| 3 | 6-Dec-2023 | Density functional theory study of crown ether-magnesium complexes: from a solvated ion to an ion trap | Ćeranić, Katarina; Milovanović, Branislav ; Petković, Milena |
| 4 | 27-Nov-2023 | Density Functional Theory Study of Crown Ether–Magnesium Complexes: From a Solvated Ion to an Ion Trap | Ćeranić, Katarina; Milovanović, Branislav ; Petković, Milena |
| 5 | 1-Jul-2023 | Decorated crown ethers as selective ion traps: Solvent's role in crown's preference towards a specific ion | Hercigonja, Marijana; Milovanović, Branislav ; Etinski, Mihajlo ; Petković, Milena |
| 6 | 1-Jan-2023 | Binding symmetric porphyrins to the c-MYC promoter Pu24I G-quadruplex: toward more specific ligand recognition by flanking bases | Stanković, Ivana; Zrilić, Sonja; Milovanović, Branislav ; Stanojević, Ana; Petković, Milena ; Etinski, Mihajlo |
| 7 | 1-Jan-2023 | Green corrosion inhibitors of steel based on peptides and their constituents: a combination of experimental and computational approach | Simović, Andjela; Stevanović, Sanja; Milovanović, Branislav ; Etinski, Mihajlo ; Bajat, Jelena B. |
| 8 | 1-Aug-2022 | High Al-ion storage of vine shoots-derived activated carbon: New concept for affordable and sustainable supercapacitors | Gezović, Aleksandra; Mišurović, Jana; Milovanović, Branislav ; Etinski, Mihajlo ; Krstić, Jugoslav; Grudić, Veselinka; Dominko, Robert; Mentus, Slavko ; Vujković, Milica |
| 9 | 22-Jun-2022 | On the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solution | Milovanović, Branislav ; Novak, Jurica; Etinski, Mihajlo ; Domcke, Wolfgang; Došlić, Nađa |
| 10 | 15-Feb-2022 | Alkaline earth cations binding mode tailors excited-state charge transfer properties of guanine quadruplex: A TDDFT study | Milovanović, Branislav ; Petković, Milena ; Etinski, Mihajlo |
| 11 | 9-Feb-2022 | Proton leap: shuttling of protons onto benzonitrile | Pavković, Nemanja; Milovanović, Branislav ; Stanojević, Ana; Etinski, Mihajlo ; Petković, Milena |
| 12 | 4-Nov-2021 | Water-Mediated Interactions Enhance Alkaline Earth Cation Chelation in Neighboring Cavities of a Cytosine Quartet in the DNA Quadruplex | Milovanović, Branislav ; Petković, Milena ; Popov, Igor; Etinski, Mihajlo |
| 13 | 6-Aug-2021 | Self-assembly of rylene-decorated guanine ribbons on graphene surface for optoelectronic applications: a theoretical study | Milovanović, Branislav ; Etinski, Mihajlo ; Popov, Igor |
| 14 | 4-Feb-2021 | Simulation of UV absorption spectra and relaxation dynamics of uracil and uracil-water clusters | Milovanović, Branislav ; Novak, Jurica; Etinski, Mihajlo ; Domcke, Wolfgang; Došlić, Nađa |
| 15 | 6-Jan-2021 | The significance of the metal cation in guanine-quartet - metalloporphyrin complexes | Stanojević, Ana; Milovanović, Branislav ; Stanković, Ivana; Etinski, Mihajlo ; Petković, Milena |
| 16 | 8-Oct-2020 | Modulating Excited Charge-Transfer States of G-Quartet Self-Assemblies by Earth Alkaline Cations and Hydration | Milovanović, Branislav ; Stanković, Ivana M; Petković, Milena ; Etinski, Mihajlo |
| 17 | 16-Apr-2020 | Intriguing Intermolecular Interplay in Guanine Quartet Complexes with Alkali and Alkaline Earth Cations | Milovanović, Branislav ; Stanojević, Ana; Etinski, Mihajlo ; Petković, Milena |
| 18 | 1-Jan-2020 | Properties of the excited electronic states of guanine quartet complexes with alkali metal cations | Milovanović, Branislav ; Petković, Milena ; Etinski, Mihajlo |
| 19 | 15-Nov-2019 | Theoretical and experimental investigation of geometry and stability of small potassium-iodide K<inf>n</inf>I (n = 2–6) clusters | Milovanović, Branislav ; Milovanović, Milan ; Veličković, Suzana; Veljković, Filip; Perić-Grujić, Aleksandra; Jerosimić, Stanka |
| 20 | 5-Nov-2019 | Elucidating Solvent Effects on Strong Intramolecular Hydrogen Bond: DFT-MD Study of Dibenzoylmethane in Methanol Solution | Milovanović, Branislav ; Stanković, Ivana M; Petković, Milena ; Etinski, Mihajlo |
| 21 | 1-Aug-2019 | A simulation of free radicals induced oxidation of dopamine in aqueous solution | Milovanović, Branislav ; Ilić, Jelica; Stanković, Ivana M.; Popara, Milana; Petković, Milena ; Etinski, Mihajlo |
| 22 | 5-Jul-2019 | Theoretical scrutinization of nine benzoic acid dimers: Stability and energy decomposition analysis | Petrović, Ivana; Milovanović, Branislav ; Etinski, Mihajlo ; Petković, Milena |
| 23 | 12-Jun-2019 | The UVA response of enolic dibenzoylmethane: beyond the static approach | Kojić, Marko; Lyskov, Igor; Milovanović, Branislav ; Marian, Christel M; Etinski, Mihajlo |
| 24 | 4-Jan-2019 | New hybrid cluster-continuum model for pKa values calculations: Case study of neurotransmitters’ amino group acidity | Ristić, Miroslav ; Petković, Milena ; Milovanović, Branislav ; Belić, Jelena; Etinski, Mihajlo |
| 25 | 1-Jan-2019 | Hydrogen transfer reaction: Bond formation and bond cleavage through the eyes of interacting quantum atoms | Milovanović, Branislav ; Etinski, Mihajlo ; Petković, Milena |
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