Browsing by Author Armaković, Stevan


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Showing results 27 to 46 of 72 < previous   next >
Issue DateTitleAuthor(s)
1-Jan-2017Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD studySureshkumar B.; Mary Y.; Panicker C.; Suma S.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.; Narayana B.
15-Jan-2017Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational studyMary 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-2018Remarkable colorimetric sensing behavior of pyrazole-based chemosensor towards Cu(ii) ion detection: Synthesis, characterization and theoretical investigationsNayak N.; Prasad K.; Pillai R.; Armaković, Stevan; Armaković, Stevan
15-Apr-2018Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulationsThomas R.; Hossain M.; Mary Y.; Resmi K.; Armaković, Stevan; Armaković, Stevan; Nanda A.; Ranjan V.; Vijayakumar G.; Van Alsenoy C.
15-Mar-2018Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulationsSureshkumar B.; Mary Y.; Resmi K.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.; Narayana B.; Suma S.
15-Dec-2017Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulationsSureshkumar B.; Sheena Mary Y.; Panicker C.; Resmi K.; Suma S.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.
15-Apr-2017Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: Combined experimental, DFT, molecular dynamics and docking studyEl-Azab A.; Mary Y.; Mary Y.; Panicker C.; Abdel-Aziz A.; Mohamed M.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.
5-Feb-2017Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulationsWar J.; Jalaja K.; Mary Y.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Srivastava S.; Van Alsenoy C.
15-Jan-2017Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulationsJalaja K.; Mary Y.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Sagar B.; Girisha M.; Yathirajan H.; Van Alsenoy C.
15-Jul-2018Spectroscopic characterization of 8-hydroxy-5-nitroquinoline and 5-chloro-8-hydroxy quinoline and investigation of its reactive properties by DFT calculations and molecular dynamics simulationsSureshkumar B.; Sheena Mary Y.; Suma S.; Armaković, Stevan; Armaković, Stevan; Alsenoy C.; Narayana B.; Sasidharan B.
5-Sep-2018Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studiesSureshkumar B.; Mary Y.; Resmi K.; Suma S.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.; Narayana B.; Sobhana D.
1-Dec-2018Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drugAbraham C.; Muthu S.; Prasana J.; Armaković, Stevan; Armaković, Stevan; Rizwana B. F.; Ben B.
15-Jan-2019Spectroscopic, antimicrobial and computational study of novel benzoxazole derivativeBeegum S.; Mary Y S.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Arisoy M.; Temiz-Arpaci O.; Van Alsenoy C.
15-Apr-2017Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxideBenzon K.; Mary Y.; Varghese H.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Pradhan K.; Nanda A.; Van Alsenoy C.
1-Jan-2016Spectroscopic, single crystal XRD structure, DFT and molecular dynamics investigation of 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thioureaSheena Mary Y.; Aswathy V.; Panicker C.; Bielenica A.; Brzózka P.; Savczenko O.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.
15-Jun-2018Structural and spectroscopic characterization, reactivity study and charge transfer analysis of the newly synthetized 2-(6-hydroxy-1-benzofuran-3-yl) acetic acidMurthy P.; Krishnaswamy G.; Armaković, Stevan; Armaković, Stevan; Suchetan P.; Desai N.; Suneetha V.; SreenivasaRao R.; Bhargavi G.; Aruna Kumar D.
15-Feb-2019Structural, spectroscopic characterization of 2-(5-methyl-1-benzofuran-3-yl) acetic acid in monomer, dimer and identification of specific reactive, drug likeness properties: Experimental and computational studyHiremath S.; Patil A.; Hiremath C.; Basangouda M.; Khemalapure S.; Patil N.; Radder S.; Armaković, Stevan; Armaković, Stevan
15-Feb-2017Studies on the synthesis, spectroscopic analysis, molecular docking and DFT calculations on 1-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazol 3-oxideBenzon K.; Sheena M.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Pradhan K.; Nanda A.; Van Alsenoy C.
1-Jan-2014Sumanene and its adsorption properties towards CO, CO<inf>2</inf>and NH<inf>3</inf> moleculesArmaković, Stevan; Armaković, Stevan; Šetrajčić J.; Jaćimovski S.; Holodkov V.
5-Dec-2017Supramolecular architecture of 5-bromo-7-methoxy-1-methyl-1H-benzoimidazole.3H<inf>2</inf>O: Synthesis, spectroscopic investigations, DFT computation, MD simulations and docking studiesMurthy P.; Smitha M.; Sheena Mary Y.; Armaković, Stevan; Armaković, Stevan; Rao R.; Suchetan P.; Giri L.; Pavithran R.; Van Alsenoy C.
Showing results 27 to 46 of 72 < previous   next >