Showing results 53 to 72 of 73
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Issue Date | Title | Author(s) |
1-Dec-2018 | Raman spectra of aqueous uracil stacked dimer: First principle molecular dynamics simulation | Milovanović, Branislav ; Petković, Milena ; Etinski, Mihajlo |
29-Jan-2008 | Renner-Teller effect in five-atomic molecules: Ab initio investigation of the spectrum of C<inf>5</inf><sup>-</sup> | Perić, Miljenko ; Petković, Milena ; Jerosimić, Stanka |
4-Jun-2009 | Shaping the infrared spectrum of the acetic acid dimer in the OH-stretching range: Multiple conformers and anharmonic coupling | Petković, Milena ; Novak, Jurica; Došlić, Nada |
6-Jan-2021 | The significance of the metal cation in guanine-quartet - metalloporphyrin complexes | Stanojević, Ana; Milovanović, Branislav ; Stanković, Ivana; Etinski, Mihajlo ; Petković, Milena |
Dec-2021 | Significant Modulation of Charge-transfer States Properties in the Biological Assembly of the d(TG4T) Sequence in Crystal Form | Milovanović, Branislav ; Petković, Milena ; Etinski, Mihajlo |
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 |
15-Dec-2017 | Site-Specific Deuteration of Polyunsaturated Alkenes | Smarun, A V; Petković, Milena ; Shchepinov, M S; Vidović, D |
10-Mar-2016 | Stability and Anharmonic N-H Stretching Frequencies of 1-Methylthymine Dimers: Hydrogen Bonding versus π-Stacking | Petković, Milena ; Ristić, Miroslav ; Etinski, Mihajlo |
1-Jan-2023 | Story of Hydroboration: Experimentally Generated Mechanistic Insights | Zhai, Siyuan; Petković, Milena ; Vidović, Dragoslav |
1-Jan-2013 | A study of the low-lying singlet and triplet electronic states of chlorophyll a and b | Etinski, Mihajlo ; Petković, Milena ; Ristić, Miroslav |
10-Sep-2020 | Theoretical analysis of doped graphene as cathode catalyst in Li-O<inf>2</inf> and Na-O<inf>2</inf> batteries – the impact of the computational scheme | Novčić, Katarina A.; Dobrota, Ana ; Petković, Milena ; Johansson, Börje; Skorodumova, Natalia V.; Mentus, Slavko V. ; Pašti, Igor |
5-Jul-2019 | Theoretical scrutinization of nine benzoic acid dimers: Stability and energy decomposition analysis | Petrović, Ivana; Milovanović, Branislav ; Etinski, Mihajlo ; Petković, Milena |
Dec-2019 | Tuning Charge Transfer States in the G-octet-metal Ion Complexes for the Potential Nanotechnological Applications | Milovanović, Branislav ; Stanković, Ivana; Petković, Milena ; Etinski, Mihajlo |
1-Nov-2018 | Tuning the electronic and chemisorption properties of hexagonal MgO nanotubes by doping – Theoretical study | Jovanović, Aleksandar ; Petković, Milena ; Pašti, Igor ; Johansson, Börje; Skorodumova, Natalia V. |
13-Sep-2004 | Ultrafast wave packet dynamics of an intramolecular hydrogen transfer system: From vibrational motion to reaction control | Petković, Milena ; Kühn, O. |
1-Jan-2016 | Unrevealing mechanism of the thermal tautomerization of avobenzone by means of quantum chemical computations | Kojić, Marko; Petković, Milena ; Etinski, Mihajlo |
6-Oct-2016 | Using Density Functional Theory To Study Neutral and Ionized Stacked Thymine Dimers | Nakarada, Đura ; Etinski, Mihajlo ; Petković, Milena |
1-Aug-2013 | Vibrational spectroscopy of picolinamide and water: from dimers to condensed phase | Jovanović, Vladimir; Miyazaki, Yasunori; Ebata, Takayuki; Petković, Milena |
Dec-2010 | Vibrational spectroscopy: can density functional theory cope with highly electronegative atoms? | Petković, Milena |
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 |