Showing results 11 to 30 of 32
< previous
next >
| Issue Date | Title | Author(s) |
| 2017 | Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures | Aswathy Vidya; Alper Hayta Sabiha; Yalcin Gozde; Sheena Mary; Cyohannan Yohannan Panicker; Jojo P.J.; Kaynak Onurdag Fatma; Armaković Stevan ; Armaković Sanja ; Yildiz Ilkay; Van Alsenoy C. |
| 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 Fatmah A.M.; Sheena Mary; Beegum Shargina; Cyohannan Yohannan Panicker; Shehri Mona; El Emam Ali; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C. |
| 2017 | New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches | Ranjith P.K.; Sheena Mary; Cyohannan Yohannan Panicker; Anto P.L.; Armaković Stevan ; Armaković Sanja ; Musiol Robert; Jampilek Josef; Van Alsenoy C. |
| 2017 | Newly synthesized dihydroquinazoline derivative from the aspect ofcombined spectroscopic and computational study | Azab Adel; Shyma Mary; Sheena Mary; Cyohannan Yohannan Panicker; Abdel-Aziz Alaa; El-Sherbeny Magda; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C. |
| 2017 | Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational study | Sheena Mary; Alzoman N.; Menon Vidya V; Al Abdullah E.; El Emam Ali; Cyohannan Yohannan Panicker; Temiz Arpaci O.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C. |
| 2018 | Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by dft and molecular dynamics simulations | Thomas Renjith; Hossain Mossaraf; Sheena Mary; Resmi K.S.; Armaković Stevan ; Armaković Sanja ; Kumar Ashis Nanda; Ranjan Vivek Kumar; Vijayakumar G.; Van Alsenoy C. |
| 2018 | Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations | Sureshkumar B.; Sheena Mary; Resmi K.S.; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Narayana B.; Suma S. |
| 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; Cyohannan Yohannan Panicker; Resmi K.S.; Suma S.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C. |
| 2017 | Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: combined experimental, DFT, molecular dynamics and docking study | Azab Adel; Shyma Mary; Sheena Mary; Cyohannan Yohannan Panicker; Abdel-Aziz Alaa; Mohamed Menshawy; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C. |
| 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 Ahmad; Jalaja K; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Srivastava Santosh; Van Alsenoy C. |
| 2017 | Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy] benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations | Jalaja K; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Sagar B.K; Girisha M; Yathirajan H.S.; Van Alsenoy C. |
| 2018 | Spectroscopic characterization of 8-hydroxy-5-nitroquinoline and 5-chloro-8-hydroxy quinoline and investigation of its reactive properties by DFT calculations and molecular dynamics simulations | Sureshkumar B.; Sheena Mary; Suma S.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Narayana B.; Sasidharan Binil |
| 2017 | Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxide | Benzon K.; Sheena Mary; Varghese Hema Tresa; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Pradhan Kiran; Kumar Ashis Nanda; Van Alsenoy C. |
| 2017 | Studies on the synthesis, spectroscopic analysis, molecular docking and DFT calculations on 1-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazol 3-oxide | Benzon K.; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Pradhan Kiran; Kumar Ashis Nanda; Van Alsenoy C. |
| 2017 | Supramolecular architecture of 5-bromo-7-methoxy-1-methyl-1H-benzoimidazole.3H2O: Synthesis, spectroscopic investigations, DFT computation, MD simulations and docking studies | Murthy Krishna; Smitha M.; Sheena Mary; Armaković Stevan ; Armaković Sanja ; Rao Sreenivasa; Suchetan P.A.; Giri L.; Pavithran Rani; Van Alsenoy C. |
| 2017 | Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent | Murthy Krishna; Sheena Mary; Shyma Mary; Cyohannan Yohannan Panicker; Suneeth V.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Suchetan P.A. |
| 2018 | Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivatives | El Azab Adel; Sheena Mary; Abdel-Aziz Alaa; Miniyar Pankaj; Armaković Stevan ; Armaković Sanja |
| 2018 | Synthesis, spectroscopic analyses, chemical reactivity and molecular docking study and anti-tubercular activity of pyrazine and condensed oxadiazole derivatives | Al Tamimi Abdul-Malek; Sheena Mary; Miniyar Pankaj; Al Wahaibi Lamya; El Emam Ali; Armaković Stevan ; Armaković Sanja |
| 2017 | Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole | Sheena Mary; Shehri Mona; Jalaja K; Al Omary Fatmah A.M.; El Emam Ali; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Temiz Arpaci O.; Van Alsenoy C. |
| 2017 | Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole | Devi Sarau; Aswathy Vidya; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Ravindran Reena; Van Alsenoy C. |