Showing results 42 to 61 of 73
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Issue Date | Title | Author(s) |
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 |
10-Aug-2016 | A new insight into the photochemistry of avobenzone in gas phase and acetonitrile from ab initio calculations | Kojić, Marko; Petković, Milena ; Etinski, Mihajlo |
8-May-2018 | New Insight into Uracil Stacking in Water from ab Initio Molecular Dynamics | Milovanović, Branislav ; Kojić, Marko; Petković, Milena ; Etinski, Mihajlo |
12-Jan-2012 | O-H stretch in phenol and its hydrogen-bonded complexes: band position and relaxation pathways | Petković, Milena |
- | On the Importance of π-π Stacking and Hydrogen Bonding Cooperativity on Aqueous Uracil Aggregation | Milovanović, Branislav ; Petković, Milena ; Etinski, Mihajlo |
1-Jan-2020 | Properties of the excited electronic states of guanine quartet complexes with alkali metal cations | Milovanović, Branislav ; Petković, Milena ; Etinski, Mihajlo |
14-Aug-2008 | Proton and protonic entities in solid heteropoly compounds: An ab initio calculation of the environmental effect on the H<inf>5</inf> O<inf>2</inf><sup>+</sup> ion | Mioč, Ubavka B.; Petković, Milena ; Davidović, Milorad; Perić, Miljenko ; Abdul-Redah, Tyno |
9-Feb-2022 | Proton leap: shuttling of protons onto benzonitrile | Pavković, Nemanja; Milovanović, Branislav ; Stanojević, Ana; Etinski, Mihajlo ; Petković, Milena |
15-Aug-2017 | Quantum chemical study on phenethylamines reveals new cation structures | Ristić, Miroslav ; Petković, Milena ; Etinski, Mihajlo |
1-Jan-2012 | Quantum-chemical investigation of the photoproduct of the reaction of two 1-methylthymine molecules: The pyrimidine(6-4)pyrimidone adduct | Ristić, Miroslav ; Petković, Milena ; Etinski, Mihajlo |
1-Mar-2016 | A quantum-chemical study of the chlorophyll phosphorescence spectrum: Electron-vibrational coupling and coordination effects | Etinski, Mihajlo ; Petković, Milena ; Ristić, Miroslav |
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 |