Influence of electron acceptors on the kinetics of metoprolol photocatalytic degradation in TiO 2 suspension. A combined experimental and theoretical study SJ Armaković, S Armaković, NL Finčur, F Šibul, D Vione, JP Šetrajčić, ... RSC Advances 5 (67), 54589-54604, 2015 | 89 | 2015 |
Active components of frequently used β-blockers from the aspect of computational study S Armaković, SJ Armaković, JP Šetrajčić, IJ Šetrajčić Journal of molecular modeling 18 (9), 4491-4501, 2012 | 56 | 2012 |
Efficiency of La-doped TiO2 calcined at different temperatures in photocatalytic degradation of β-blockers SJ Armaković, M Grujić-Brojčin, M Šćepanović, S Armaković, A Golubović, ... Arabian Journal of Chemistry 12 (8), 5355-5369, 2019 | 45 | 2019 |
Sumanene and its adsorption properties towards CO, CO2 and NH3 molecules S Armaković, SJ Armaković, JP Šetrajčić, SK Jaćimovski, V Holodkov Journal of molecular modeling 20 (4), 2170, 2014 | 44 | 2014 |
Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1H and 13C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular … DA Zainuri, S Arshad, NC Khalib, IA Razak, RR Pillai, SF Sulaiman, ... Journal of Molecular Structure 1128, 520-533, 2017 | 43 | 2017 |
Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential YS Mary, PB Miniyar, YS Mary, KS Resmi, CY Panicker, S Armaković, ... Journal of Molecular Structure 1173, 469-480, 2018 | 40 | 2018 |
Hydrogen storage properties of sumanene S Armaković, SJ Armaković, JP Šetrajčić International journal of hydrogen energy 38 (27), 12190-12198, 2013 | 40 | 2013 |
Quinoline derivatives as possible lead compounds for anti-malarial drugs: spectroscopic, DFT and MD study B Sureshkumar, YS Mary, CY Panicker, S Suma, S Armaković, ... Arabian Journal of Chemistry 13 (1), 632-648, 2020 | 39 | 2020 |
Optoelectronic properties of curved carbon systems S Armaković, SJ Armaković, S Koziel Carbon 111, 371-379, 2017 | 38 | 2017 |
Optical and bowl-to-bowl inversion properties of sumanene substituted on its benzylic positions; a DFT/TD-DFT study S Armaković, SJ Armaković, JP Šetrajčić, IJ Šetrajčić Chemical Physics Letters 578, 156-161, 2013 | 37 | 2013 |
Optical and bowl-to-bowl inversion properties of sumanene substituted on its benzylic positions; a DFT/TD-DFT study S Armaković, SJ Armaković, JP Šetrajčić, IJ Šetrajčić Chemical Physics Letters 578, 156-161, 2013 | 37 | 2013 |
FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular … VV Menon, E Fazal, YS Mary, CY Panicker, S Armaković, SJ Armaković, ... Journal of Molecular Structure 1127, 124-137, 2017 | 34 | 2017 |
Influence of sumanene modifications with boron and nitrogen atoms to its hydrogen adsorption properties S Armaković, SJ Armaković, S Pelemiš, D Mirjanić Physical Chemistry Chemical Physics 18 (4), 2859-2870, 2016 | 34 | 2016 |
Theoretical investigation of loratadine reactivity in order to understand its degradation properties: DFT and MD study S Armaković, SJ Armaković, BF Abramović Journal of molecular modeling 22 (10), 240, 2016 | 31 | 2016 |
Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1, 2, 4 … RR Pillai, K Karrouchi, S Fettach, S Armaković, SJ Armaković, Y Brik, ... Journal of Molecular Structure 1177, 47-54, 2019 | 29 | 2019 |
Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study M Hossain, R Thomas, YS Mary, KS Resmi, S Armaković, SJ Armaković, ... Journal of Molecular Structure 1158, 176-196, 2018 | 29 | 2018 |
Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl) propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and … JA War, K Jalaja, YS Mary, CY Panicker, S Armaković, SJ Armaković, ... Journal of Molecular Structure 1129, 72-85, 2017 | 29 | 2017 |
Theoretical studies on the structure and various physico-chemical and biological properties of a terphenyl derivative with immense anti-protozoan activity YS Mary, YS Mary, R Thomas, B Narayana, S Samshuddin, BK Sarojini, ... Polycyclic Aromatic Compounds, 1-16, 2019 | 28 | 2019 |
Spectroscopic, single crystal XRD structure, DFT and molecular dynamics investigation of 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl) phenyl] thiourea YS Mary, VV Aswathy, CY Panicker, A Bielenica, P Brzózka, O Savczenko, ... RSC advances 6 (113), 111997-112015, 2016 | 27 | 2016 |
Structuring of water in the new generation ionic liquid–Comparative experimental and theoretical study M Vraneš, S Armaković, A Tot, S Papović, N Zec, S Armaković, N Banić, ... The Journal of Chemical Thermodynamics 93, 164-171, 2016 | 25 | 2016 |