| Issue Date | Title | Author(s) |
26 | Nov-2019 | Influence of the Metal Ions on the Charge Transfer States in the G-octet-metal Ion Complexes | Milovanović, Branislav ; Stanković, Ivana; Petković, Milena ; Etinski, Mihajlo |
2 | 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 |
3 | 5-Jul-2019 | Theoretical scrutinization of nine benzoic acid dimers: Stability and energy decomposition analysis | Petrović, Ivana; Milovanović, Branislav ; Etinski, Mihajlo ; Petković, Milena |
4 | 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 |
5 | 1-Jan-2019 | Hydrogen transfer reaction: Bond formation and bond cleavage through the eyes of interacting quantum atoms | Milovanović, Branislav ; Etinski, Mihajlo ; Petković, Milena |
6 | 1-Dec-2018 | Raman spectra of aqueous uracil stacked dimer: First principle molecular dynamics simulation | Milovanović, Branislav ; Petković, Milena ; Etinski, Mihajlo |
7 | 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. |
8 | Oct-2018 | Discussing Aqueous Uracil Aggregation with First Principle Molecular Dynamics Simulations | Milovanović, Branislav ; Petković, Milena ; Etinski, Mihajlo |
9 | 5-Sep-2018 | When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms | Petković, Milena ; Nakarada, Đura ; Etinski, Mihajlo |
10 | Jun-2018 | Ab initio Molecular Dynamics Insights on How Dopamine Disarms Hydroxyl Radical | Milovanović, Branislav ; Popara Milana; Petković, Milena ; Etinski, Mihajlo |
11 | 8-May-2018 | New Insight into Uracil Stacking in Water from ab Initio Molecular Dynamics | Milovanović, Branislav ; Kojić, Marko; Petković, Milena ; Etinski, Mihajlo |
12 | 15-Feb-2018 | Mechanistic insights on how hydroquinone disarms OH and OOH radicals | Nakarada, Đura ; Petković, Milena |
13 | 15-Dec-2017 | Site-Specific Deuteration of Polyunsaturated Alkenes | Smarun, A V; Petković, Milena ; Shchepinov, M S; Vidović, D |
14 | 4-Dec-2017 | E-H (E = B, Si, C) Bond Activation by Tuning Structural and Electronic Properties of Phosphenium Cations | Đorđević, Nemanja; Ganguly, Rakesh; Petković, Milena ; Vidović, Dragoslav |
15 | 24-Oct-2017 | Alkene-assisted cis-to-trans isomerization of non-conjugated polyunsaturated alkenes | Smarun, A V; Duzhin, F; Petković, Milena ; Vidović, D |
16 | 15-Aug-2017 | Quantum chemical study on phenethylamines reveals new cation structures | Ristić, Miroslav ; Petković, Milena ; Etinski, Mihajlo |
17 | 6-Oct-2016 | Using Density Functional Theory To Study Neutral and Ionized Stacked Thymine Dimers | Nakarada, Đura ; Etinski, Mihajlo ; Petković, Milena |
18 | 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 |
19 | 28-Jul-2016 | Bis(carbodicarbene)phosphenium trication: the case against hypervalency | Đorđević, Nemanja; Ganguly, Rakesh; Petković, Milena ; Vidović, Dragoslav |
20 | 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 |
21 | 1-Mar-2016 | A quantum-chemical study of the chlorophyll phosphorescence spectrum: Electron-vibrational coupling and coordination effects | Etinski, Mihajlo ; Petković, Milena ; Ristić, Miroslav |
22 | 5-Jan-2016 | Control of a photoswitching chelator by metal ions: DFT, NBO, and QTAIM analysis | Dimić, Dušan ; Petković, Milena |
23 | 1-Jan-2016 | Unrevealing mechanism of the thermal tautomerization of avobenzone by means of quantum chemical computations | Kojić, Marko; Petković, Milena ; Etinski, Mihajlo |
24 | 13-Aug-2015 | Electron-Vibrational Coupling and Fluorescence Spectra of Tetra-, Penta-, and Hexacoordinated Chlorophylls c1 and c2 | Etinski, Mihajlo ; Petković, Milena ; Ristić, Miroslav ; Marian, Christel M |
25 | 7-Jul-2015 | Extending the chemistry of carbones: P-N bond cleavage via an S(N)2'-like mechanism | Gurnani, Chitra; Đorđević, Nemanja; Muthaiah, Senthilkumar; Dimić, Dušan ; Ganguly, Rakesh; Petković, Milena ; Vidović, Dragoslav |