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Rezultati 141-160 od 270

GodinaNaslovAutor(i)Tip rezultataMp-kat.
2017Supramolecular architecture of 5-bromo-7-methoxy-1-methyl-1H-benzoimidazole.3H2O: Synthesis, spectroscopic investigations, DFT computation, MD simulations and docking studiesMurthy, P. Krishna; Smitha, M.; Sheena, Mary Y.; Armaković, Stevan  ; Armaković, Sanja  ; Rao, R. Sreenivasa; Suchetan, P.A.; Giri, L.; Pavithran, Rani; Van, Alsenoy C.Naučni članak
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2017Investigation of reactive and spectroscopic properties of oxobutanoic acid derivative: combined spectroscopic, DFT, MD and docking studyMary, Y. Sheena; Mary, Y. Shyma; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Narayana, B.; Sarojini, B.K.; Van, Alsenoy C.Naučni članak
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2017Investigation of 1,2,3-trialkylimidazolium ionic liquids: experiment and density functional theory calculationsPapović, Snežana  ; Vraneš, Milan  ; Armaković, Stevan  ; Armaković, Sanja  ; Mesaroš Sečenji, Katalin ; Bešter-Rogač, Marija; Gadžurić, Slobodan  Naučni članak
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2017Newly synthesized dihydroquinazoline derivative from the aspect ofcombined spectroscopic and computational studyEl-Azab, Adel S.; Mary, Y. Sheena; Mary, Y. Shyma; Panicker, C. Yohannan; Abdel-Aziz, Alaa A.-M.; El-Sherbeny, Magda A.; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy ChristianNaučni članak
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2017Molecular 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 agentAl-Omary, Fatmah A.M.; Mary, Y. Sheena; Beegum, Shargina; Panicker, C. Yohannan; Al-Shehri, Mona M.; El-Emam, Ali A.; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy C.Naučni članak
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2017Synthesis, theoretical studies and molecular docking of a novel chlorinated tetracyclic: (Z/E)-3-(1,8-dichloro-9,10-dihydro-9,10-ethanoanthracen-11-yl)acrylaldehydeSultan, Mujeeb A.; Almansour, Abdulrahman I.; Pillai, Renjith Raveendran; Kumar, Raju Suresh; Arumugam, Natarajan; Armaković, Stevan  ; Armaković, Sanja  ; Soliman, Saied M.Naučni članak
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2017Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (anf-6): combined experimental and computational studyAswathy, V.V.; Mary, Y. Sheena; Jojo, P.J.; Panicker, C. Yohannan; Bielenica, Anna; Armaković, Stevan  ; Armaković, Sanja  ; Brzózka, Paulina; Krukowski, Sylwester; Van, Alsenoy C.Naučni članak
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2017Uncommon structure making/breaking behaviour of cholinium taurate in waterGadžurić, Slobodan  ; Tot, Aleksandar  ; Armaković, Stevan  ; Armaković, Sanja  ; Panić, Jovana  ; Jović, Branislav  ; Vraneš, Milan  Naučni članak
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2017Synthesis, XRD crystal structure, spectroscopic characterization, local reactive properties using DFT and molecular dynamics simulations and molecular docking study of (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-oneArshad, Suhana; Raveendran, Pillai Renjith; Zainuri, Dian Alwani; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Armaković, Stevan  ; Armaković, Sanja  ; Renjith, Rishikesh; Panicker, C. Yohannan; Van, Alsenoy C.Naučni članak
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2017Conformational, vibrational and DFT studies of a newly synthesized arylpiperazine-based drug and evaluation of its reactivity towards the human gaba receptorOnawole, A.T.; Al-Ahmadi, A.F.; Mary, Y.S.; Panicker, C.Y.; Ullah, N.; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy C.; Al-Saadi, A.A.Naučni članak
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2017Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: combined experimental, DFT, molecular dynamics and docking studyEl-Azab, Adel S.; Mary, Y. Shyma; Mary, Y. Sheena; Panicker, C. Yohannan; Abdel-Aziz, Alaa A.-M.; Mohamed, Menshawy A.; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy ChristianNaučni članak
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2017Pyridoxylidene aminoguanidine and its copper(II) complexes - Syntheses, structure, and DFT calculationsRadanović, Mirjana  ; Rodić, Marko  ; Armaković, Stevan  ; Armaković, Sanja  ; Vojinović Ješić, Ljiljana  ; Leovac, Vukadin Naučni članak
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2017Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agentMurthy Krishna; Sheena Mary; Shyma Mary; Cyohannan Yohannan Panicker; Suneeth V.; Armaković Stevan  ; Armaković Sanja  ; Van Alsenoy C.; Suchetan P.A.Naučni članak
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2016Determination of reactive properties of 1-butyl-3-methylimidazolium taurate ionic liquid employing DFT calculationsArmaković, Stevan  ; Armaković, Sanja  ; Vraneš, Milan  ; Tot, Aleksandar  ; Gadžurić, Slobodan  Naučni članak
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2016Influence of sumanene modifications with boron and nitrogen atoms to its hydrogen adsorption propertiesArmaković, Stevan  ; Armaković, Sanja  ; Pelemiš, Svetlana ; Mirjanić, DragoljubNaučni članak
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2016Structuring of water in the new generation ionic liquid – Comparative experimental and theoretical studyVraneš, Milan  ; Armaković, Stevan  ; Tot, Aleksandar  ; Papović, Snežana  ; Zec, Nebojša; Armaković, Sanja  ; Banić, Nemanja  ; Abramović, Biljana ; Gadžurić, Slobodan  Naučni članak
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2016Structure making properties of 1-(2-hydroxylethyl)-3-methylimidazolium chloride ionic liquidVraneš, Milan  ; Tot, Aleksandar  ; Armaković, Stevan  ; Armaković, Sanja  ; Gadžurić, Slobodan  Naučni članak
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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. V.; Panicker, C. Yohannan; Bielenica, Anna; Brzózka, Paulina; Savczenko, Oleksandra; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy ChristianNaučni članak
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2016Kosmotropism of newly synthesized 1-butyl-3-methylimidazolium taurate ionic liquid: Experimental and computational studyTot, Aleksandar  ; Armaković, Stevan  ; Armaković, Sanja  ; Gadžurić, Slobodan  ; Vraneš, Milan  Naučni članak
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2016Theoretical investigation of loratadine reactivity in order to understand its degradation properties: DFT and MD studyArmaković, Stevan  ; Armaković, Sanja  ; Abramović, Biljana Naučni članak
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Rezultati 141-160 od 270