Researchers



Results 141-160 of 257
Issue DateTitleAuthor(s)TypeМp-cat.
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.Sheena; Resmi, K.S.; Suma, S.; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy C.; Narayana, B.; Sobhana, D.Article
22M22
2018Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulationsSureshkumar B.; Sheena Mary; Resmi K.S.; Cyohannan Yohannan Panicker; Armaković Stevan  ; Armaković Sanja  ; Van Alsenoy C.; Narayana B.; Suma S.Article
22M22
2018X-ray crystallographic and computational study of biologicaly active androst-5-ene derivativesOlivera Klisurić  ; S Armaković  ; S Armaković  ; S. Lj. Vrbaški; Kuzminac, Ivana Z.  ; Dimitar Jakimov; Suzana Jovanović-Šanta  Conference Paper
Mp. category will be shown later
2018Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivativeMenon, Vidya V.; Sheena, Mary Y.; Shyma, Mary Y.; Panicker, C. Yohannan; Bielenica, Anna; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy ChristianArticle
22M22
2018Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivativesEl-Azab, Adel S.; Mary, Y. Sheena; Abdel-Aziz, Alaa A.M.; Miniyar, Pankaj B.; Armaković, Stevan  ; Armaković, Sanja  Article
22M22
2018Structural and spectroscopic characterization, reactivity study and charge transfer analysis of the newly synthetized 2-(6-hydroxy-1-benzofuran-3-yl) acetic acidMurthy, P. Krishna; Krishnaswamy, G.; Armaković, Stevan  ; Armaković, Sanja  ; Suchetan, P.A.; Desai, Nivedita R.; Suneetha, V.; SreenivasaRao, R.; Bhargavi, G.; Aruna, Kumar D.B.Article
22M22
2018Understanding reactivity of two newly synthetized imidazol derivatives by spectroscopic characterization and computational studyHossain Mossaraf; Thomas Renjith; Sheena Mary; Resmi K.S.; Armaković Stevan  ; Armaković Sanja  ; Kumar Ashis Nanda; Vijayakumar G.; Van Alsenoy C.Article
22M22
2018Two novel imidazole derivatives – Combined experimental and computational studySmitha, M.; Mary, Y. Sheena; Hossain, Mossaraf; Resmi, K.S.; Armaković, Stevan  ; Armaković, Sanja  ; Pavithran, Rani; Nanda, Ashis Kumar; Van, Alsenoy C.Article
22M22
2018Photocatalytic degradation of 4-amino-6-chlorobenzene-1,3-disulfonamide stable hydrolysis product of hydrochlorothiazide: Detection of intermediates and their toxicityArmaković, Sanja  ; Armaković, Stevan  ; Četojević-Simin, Dragana  ; Šibul, Filip  ; Abramović, Biljana Article
21aM21a
20184-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid, a newly synthesized amide with hydrophilic and hydrophobic segments: Spectroscopic characterization and investigation of reactive propertiesSheena Mary; Al Abdullah E.; Aljohar H.; Narayana B.; Nayak P.; Sarojini B.K.; Armaković Stevan  ; Armaković Sanja  ; Van Alsenoy C.; El Emam AliArticle
22M22
2018Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potentialMary, Y. Sheena; Miniyar, Pankaj B.; Mary, Y. Shyma; Resmi, K.S.; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Thomas, Renjith; Sureshkumar, B.Article
22M22
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.Article
22M22
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  Article
21M21
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.Article
22M22
2017Uncommon structure making/breaking behaviour of cholinium taurate in waterGadžurić, Slobodan  ; Tot, Aleksandar ; Armaković, Stevan  ; Armaković, Sanja  ; Panić, Jovana  ; Jović, Branislav  ; Vraneš, Milan  Article
21M21
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.Article
22M22
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 ChristianArticle
22M22
2017Pyridoxylidene aminoguanidine and its copper(II) complexes - Syntheses, structure, and DFT calculationsRadanović, Mirjana  ; Rodić, Marko  ; Armaković, Stevan  ; Armaković, Sanja  ; Vojinović Ješić, Ljiljana  ; Leovac, Vukadin Article
22M22
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.Article
22M22
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.Article
22M22