Prikаzivаnjе rеzultаtа 1 do 20 od 72
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| Dаtum izdаvаnjа | Nаslоv | Аutоr(i) |
| 5-нов-2019 | Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach | Abraham C.; Muthu S.; Prasana J.; Armaković, Stevan; Armaković, Stevan; Rizwana B. F.; Geoffrey B.; David R. H. |
| 5-нов-2017 | Conformational, vibrational and DFT studies of a newly synthesized arylpiperazine-based drug and evaluation of its reactivity towards the human GABA receptor | Onawole A.; Al-Ahmadi A.; Mary Y.; Panicker C.; Ullah N.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.; Al-Saadi A. |
| 15-јун-2019 | Design, synthesis and computational analysis of novel acridine-(sulfadiazine/sulfathiazole) hybrids as antibacterial agents | Gündüz M.; Tahir M.; Armaković, Stevan; Özkul Koçak C.; Armaković, Stevan |
| 1-феб-2020 | A DFT and MD study of reactive, H2 adsorption and optoelectronic properties of graphane nanoparticles – An influence of boron doping | Rikalo, Aleksandar; Nikolić, Marina; Vuković, Aleksandar; Armaković, Sanja; Armaković, Stevan; Alanov, Marija |
| 9-окт-2016 | Efficiency of La-doped TiO<inf>2</inf> calcined at different temperatures in photocatalytic degradation of β-blockers | Armaković, Stevan; Grujić-Brojčin M.; Šćepanović M.; Armaković, Stevan; Golubović A.; Babić, Biljana ; Abramović, Biljana |
| 5-јан-2020 | Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools | Beegum S.; Mary Y.; Mary Y.; Thomas R.; Armaković, Stevan; Armaković, Stevan; Zitko J.; Dolezal M.; Van Alsenoy C. |
| 15-мај-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 | Ranjith P.; Al-Abdullah E.; Al-Omary F.; El-Emam A.; Anto P.; Sheena M.; Armaković, Stevan; Armaković, Stevan; Zitko J.; Dolezal M.; Van Alsenoy C. |
| 5-јан-2017 | FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations | Menon V.; Fazal E.; Mary Y.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Nagarajan S.; Van Alsenoy C. |
| 10-сеп-2013 | Hydrogen storage properties of sumanene | Armaković, Stevan; Armaković, Stevan; Šetrajčić J. |
| 28-јан-2016 | Influence of sumanene modifications with boron and nitrogen atoms to its hydrogen adsorption properties | Armaković, Stevan; Armaković, Stevan; Pelemiš S.; Mirjanić D. |
| 5-авг-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. |
| 1-нов-2016 | Investigation of boron modified graphene nanostructures; optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheets | Armaković, Stevan; Armaković, Stevan |
| 15-нов-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. |
| 15-апр-2017 | Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study | Aswathy V.; Mary Y.; Jojo P.; Panicker C.; Bielenica A.; Armaković, Stevan; Armaković, Stevan; Brzózka P.; Krukowski S.; Van Alsenoy C. |
| 5-авг-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-јан-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-нов-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-нов-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-мај-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-апр-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. |