Showing results 15 to 34 of 72
< previous
next >
| Issue Date | Title | Author(s) |
| 5-Aug-2017 | Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures | Aswathy V.; Alper-Hayta S.; Yalcin G.; Mary Y.; Panicker C.; Jojo P.; Kaynak-Onurdag F.; Armaković, Stevan; Armaković, Stevan; Yildiz I.; Van Alsenoy C. |
| 5-Jan-2017 | Molecular conformational analysis, reactivity, vibrational spectral analysis and molecular dynamics and docking studies of 6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione, a potential precursor to bioactive agent | Al-Omary F.; Mary Y.; Beegum S.; Panicker C.; Al-Shehri M.; El-Emam A.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C. |
| 5-Nov-2018 | Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene | Venkatesh G.; Kamal C.; Vennila P.; Govindaraju M.; Mary Y.; Armaković, Stevan; Armaković, Stevan; Kaya S.; Panicker C. |
| 5-Nov-2019 | Molecular structure, optoelectronic properties, spectroscopic (FT-IR, FT-Raman and UV–Vis), H-BDE, NBO and drug likeness investigations on 7, 8-benzocoumarin-4-acetic acid (7BAA) | Khemalapure S.; Katti V.; Hiremath C.; Basanagouda M.; Hiremath S.; Armaković, Stevan; Armaković, Stevan |
| 5-May-2017 | New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches | Ranjith P.; Mary Y.; Panicker C.; Anto P.; Armaković, Stevan; Armaković, Stevan; Musiol R.; Jampilek J.; Van Alsenoy C. |
| 15-Apr-2017 | Newly synthesized dihydroquinazoline derivative from the aspect of combined spectroscopic and computational study | El-Azab A.; Mary Y.; Mary Y.; Panicker C.; Abdel-Aziz A.; El-Sherbeny M.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy 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 |
| 1-Jan-2015 | Optical properties of layers of symmetric molecular nanofilms | Šetrajčić, Igor ; Rodić, Dragan; Armaković, Stevan; Šetrajčić J. |
| 1-Jan-2015 | Optoelectronic and charge carrier hopping properties of ultra-thin boron nitride nanotubes | Armaković, Stevan; Armaković, Stevan; Pelemiš S.; Šetrajčić J. |
| 1-Jan-2017 | Optoelectronic properties of curved carbon systems | Armaković, Stevan; Armaković, Stevan; Koziel S. |
| 15-Feb-2016 | Optoelectronic properties of higher acenes, their BN analogue and substituted derivatives | Armaković, Stevan; Armaković, Stevan; Holodkov V.; Pelemiš S. |
| 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-2017 | Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD study | Sureshkumar B.; Mary Y.; Panicker C.; Suma S.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.; Narayana B. |
| 15-Jan-2017 | Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational study | Mary Y.; Alzoman N.; Menon V.; Al-Abdullah E.; El-Emam A.; Panicker C.; Temiz-Arpaci O.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C. |
| 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-Apr-2018 | Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations | Thomas R.; Hossain M.; Mary Y.; Resmi K.; Armaković, Stevan; Armaković, Stevan; Nanda A.; Ranjan V.; Vijayakumar G.; Van Alsenoy C. |
| 15-Mar-2018 | Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations | Sureshkumar B.; Mary Y.; Resmi K.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.; Narayana B.; Suma S. |
| 15-Dec-2017 | Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulations | Sureshkumar B.; Sheena Mary Y.; Panicker C.; Resmi K.; Suma S.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C. |
| 15-Apr-2017 | Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: Combined experimental, DFT, molecular dynamics and docking study | El-Azab A.; Mary Y.; Mary Y.; Panicker C.; Abdel-Aziz A.; Mohamed M.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C. |
| 5-Feb-2017 | Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations | War J.; Jalaja K.; Mary Y.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Srivastava S.; Van Alsenoy C. |