| Issue Date | Title | Author(s) |
| 15-Jan-2018 | Adsorption properties of graphene towards the ephedrine – A frequently used molecule in sport | Armaković, Stevan ; Tomić B.; Pillai R.; Panicker C. |
| 5-Nov-2017 | Novel synthetic approach, spectroscopic characterization and theoretical studies on global and local reactive properties of a bibenzimidazolyl derivative | Prasad K.; Nayak N.; Pillai R.; Armaković, Stevan; Armaković, Stevan |
| 24-Feb-2019 | Photophysical properties and theoretical investigations of newly synthesized pyrene-naphthalene based Schiff base ligand and its copper(II) complexes | Prasad K.; Pillai R.; Armaković, Stevan; Armaković, Stevan |
| 1-Jan-2018 | Remarkable colorimetric sensing behavior of pyrazole-based chemosensor towards Cu(ii) ion detection: Synthesis, characterization and theoretical investigations | Nayak N.; Prasad K.; Pillai R.; Armaković, Stevan; Armaković, Stevan |
| 15-Sep-2017 | Synthesis, crystal structure analysis, molecular docking studies and density functional theory predictions of the local reactive properties and degradation properties of a novel halochalcone | Arshad S.; Pillai R.; Zainuri D.; Khalib N.; Razak I.; Armaković, Stevan; Armaković, Stevan |
| 5-May-2017 | Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic characterization, reactivity study by DFT and MD approaches and molecular docking study of a novel chalcone derivative | Arshad S.; Pillai R.; Zainuri D.; Khalib N.; Razak I.; Armaković, Stevan; Armaković, Stevan; Panicker C.; Van Alsenoy C. |
| 5-Feb-2019 | Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole rings | Pillai R.; Karrouchi K.; Fettach S.; Armaković, Stevan; Armaković, Stevan; Brik Y.; Taoufik J.; Radi S.; El Abbes Faouzi M.; Ansar M. |
| 15-Dec-2017 | Synthesis, theoretical studies and molecular docking of a novel chlorinated tetracyclic: (Z/E)-3-(1,8-dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl)acrylaldehyde | Sultan M.; Almansour A.; Pillai R.; Kumar R.; Arumugam N.; Armaković, Stevan; Armaković, Stevan; Soliman S. |
| 15-Jan-2017 | Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, <sup>1</sup>H and <sup>13</sup>C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, (E)-1-(4-bromophenyl)-3-(4-iodophenyl)prop-2-en-1-one | Zainuri D.; Arshad S.; Khalib N.; Razak I.; Pillai R.; Sulaiman S.; Hashim N.; Ooi K.; Armaković, Stevan; Armaković, Stevan; Panicker C.; Van Alsenoy C. |
| 1-Jan-2017 | Theoretical investigation on the reactivity and photophysical properties of cobalt(II) and manganese(II) complexes constructed using Schiff base ligands based on ALIE and TDDFT calculations | Prasad K.; Pillai R.; Armaković, Stevan; Armaković, Stevan |
| 15-Feb-2017 | Vibrational spectroscopic investigations, molecular dynamic simulations and molecular docking studies of N'-diphenylmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide | Pillai R.; Menon V.; Mary Y.; Armaković, Stevan; Armaković, Stevan; Panicker C. |