Showing results 3 to 18 of 18
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| Issue Date | Title | Author(s) |
| 2017 | Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) study | Sheena Mary; Al Omary Fatmah A.M.; Mostafa Gamal; El Emam Ali; Manjula P.S.; Sarojini B.K.; Narayana B.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C. |
| 5-Aug-2017 | Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) study | Mary Y.; Al-Omary F.; Mostafa G.; El-Emam A.; Manjula P.; Sarojini B.; Narayana B.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C. |
| 15-Nov-2017 | Investigation of reactive and spectroscopic properties of oxobutanoic acid derivative: Combined spectroscopic, DFT, MD and docking study | Mary Y.; Mary Y.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Narayana B.; Sarojini B.; Van Alsenoy C. |
| 2017 | Investigation of reactive and spectroscopic properties of oxobutanoic acid derivative: combined spectroscopic, DFT, MD and docking study | Sheena Mary; Shyma Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Narayana B.; Sarojini B.K.; Van Alsenoy C. |
| 2020 | Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD study | Sureshkumar B.; Mary Y. Sheena; Cyohannan Yohannan Panicker; Suma S.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Narayana B. |
| 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-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. |
| 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. |
| 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 |
| 15-Jul-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 Y.; Suma S.; Armaković, Stevan; Armaković, Stevan; Alsenoy C.; Narayana B.; Sasidharan B. |
| 2018 | Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies | Sureshkumar B.; Sheena Mary Y.; Resmi K.S.; Suma S.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Narayana B.; Sobhana D. |
| 5-Sep-2018 | Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies | Sureshkumar B.; Mary Y.; Resmi K.; Suma S.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.; Narayana B.; Sobhana D. |
| 2019 | Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential | Thomas Renjith; Mary Y. Sheena; Resmi K.S.; Narayana B.; Sarojini S. B.K.; Armaković Stevan ; Armaković Sanja ; Vijayakumar G.; Alsenoy Christian Van; Mohan B. J. |
| 5-Apr-2019 | Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential | Thomas R.; Mary Y.; Resmi K.; Narayana B.; Sarojini S.; Armaković, Stevan; Armaković, Stevan; Vijayakumar G.; Alsenoy C.; Mohan B. |
| 2019 | Theoretical Studies on the Structure and Various Physico-Chemical and Biological Properties of a Terphenyl Derivative with Immense Anti-Protozoan Activity | Mary Y. Sheena; Mary Y. Shyma; Thomas Renjith; Narayana B.; Samshuddin S.; Sarojini Baladka K.; Armaković Stevan ; Armaković Sanja ; Pillai Girinath G. |
| 1-Jan-2019 | Theoretical Studies on the Structure and Various Physico-Chemical and Biological Properties of a Terphenyl Derivative with Immense Anti-Protozoan Activity | Mary Y.; Mary Y.; Thomas R.; Narayana B.; Samshuddin S.; Sarojini B.; Armaković, Stevan; Armaković, Stevan; Pillai G. |