Browsing by Subject density functional theory
Showing results 1 to 7 of 7
| Issue Date | Title | Author(s) |
|---|---|---|
| 5-Jul-2023 | Activation of Osmium by the Surface Effects of Hydrogenated TiO2 Nanotube Arrays for Enhanced Hydrogen Evolution Reaction Performance | Krstajić Pajić, Mila N; Dobrota, Ana ; Mazare, Anca; Đurđić, Slađana; Hwang, Imgon; Skorodumova, Natalia V; Manojlović, Dragan; Vasilić, Rastko; Pašti, Igor ; Schmuki, Patrik; Lačnjevac, Uroš |
| 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 |
| 15-Feb-2018 | Mechanistic insights on how hydroquinone disarms OH and OOH radicals | Nakarada, Đura ; Petković, Milena |
| 1-Mar-2018 | Modeling Kinetics of Water Adsorption on the Rutile TiO<inf>2</inf> (110) Surface: Influence of Exchange-Correlation Functional | Nilsson, Johan O.; Leetmaa, Mikael; Wang, Baochang; Žguns, Pjotrs A.; Pašti, Igor ; Sandell, Anders; Skorodumova, Natalia V. |
| 1-May-2025 | Samarium-Doped PbO2 Electrocatalysts for Environmental and Energy Applications: Theoretical Insight into the Mechanisms of Action Underlying Their Carbendazim Degradation and OER Properties | Kaluđerović, Milica; Savić, Slađana; Bajuk-Bogdanović, Danica ; Jovanović, Aleksandar ; Rakočević, Lazar; Vlahović, Filip; Milikić, Jadranka ; Stanković, Dalibor |
| 13-Jun-2025 | Structural and biological properties of isoproterenol, comparison with epinephrine and norepinephrine | Marija Milosavljević; Nakarada, Đura ; Marta Gostiljac; Dimitrić Marković, Jasmina ; Violeta Jevtović; Rakić, Aleksandra ; Dimić, Dušan |
| 13-Dec-2024 | Study of Graphene Oxide and Silver Nanowires Interactions and Its Association with Electromagnetic Shielding Effectiveness | Milenković, Mila; Saeed, Warda; Yasir, Muhammad; Sredojević, Dusan; Budimir, Milica; Stefanović, Andjela; Bajuk-Bogdanović, Danica ; Jovanović, Svetlana |