| Issue Date | Title | Author(s) |
| 2017 | FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations | Arshad S.; Raveendran Pillai R.; Alwani Zainuri D.; Che Khalib N.; Abdul Razak I.; Armaković Stevan ; Armaković Sanja ; Cyohannan Yohannan Panicker; Van Alsenoy C. |
| 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.; Raveendran Pillai R.; Alwani Zainuri D.; Che Khalib N.; Abdul Razak I.; Armaković Stevan ; Armaković Sanja |
| 2017 | Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1H and 13C 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 | Alwani Zainuri D.; Arshad S.; Che Khalib N.; Abdul Razak I.; Raveendran Pillai R.; Fariza Sulaiman S.; Shafiqah Hashim N.; Leong Ooi K.; Armaković Stevan ; Armaković Sanja ; Cyohannan Yohannan Panicker; Van Alsenoy C. |
| 2017 | Synthesis, XRD crystal structure, spectroscopic characterization, local reactive properties using DFT and molecular dynamics simulations and molecular docking study of (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-one | Arshad S.; Raveendran Pillai R.; Alwani Zainuri D.; Che Khalib N.; Abdul Razak I.; Armaković Stevan ; Armaković Sanja ; Renjith Rishikesh; Cyohannan Yohannan Panicker; Van Alsenoy C. |