Researchers



Results 181-200 of 260
Issue DateTitleAuthor(s)TypeМp-cat.
2017FT-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 calculationsRanjith, P.K.; Al-Abdullah, Ebtehal S.; Al-Omary, Fatmah A.M.; El-Emam, Ali A.; Anto, P.L.; Sheena, Mary Y.; Armaković, Stevan  ; Armaković, Sanja  ; Zitko, Jan; Dolezal, Martin;
Van, Alsenoy C.;
Article
22M22
2017Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazoleSarau, Devi A.; Aswathy, V.V.; Sheena, Mary Y.; Yohannan, Panicker C.; Armaković, Stevan  ; Armaković, Sanja  ; Ravindran, Reena; Van, Alsenoy C.Article
22M22
2017Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical proceduresAswathy, V.V.; Alper-Hayta, Sabiha; Yalcin, Gözde; Mary, Y. Sheena; Panicker, C. Yohannan; Jojo, P.J.; Kaynak-Onurdag, Fatma; Armaković, Stevan  ; Armaković, Sanja  ; Yildiz, Ilkay;
Van, Alsenoy C.;
Article
22M22
2017A complete computational and spectroscopic study of 2-bromo-1, 4-dichlorobenzene – A frequently used benzene derivativeVennila, P.; Govindaraju, M.; Venkatesh, G.; Kamal, C.; Mary, Y. Sheena; Panicker, C. Yohannan; Kaya, S.; Armaković, Stevan  ; Armaković, Sanja  Article
22M22
2017Optoelectronic properties of curved carbon systemsArmaković, Stevan  ; Armaković, Sanja  ; Koziel, SlawomirArticle
21aM21a
2017Synthesis, crystal structure analysis, molecular docking studies and density functional theory predictions of the local reactive properties and degradation properties of a novel halochalconeArshad, Suhana; Pillai, Renjith Raveendran; Zainuri, Dian Alwani; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Armaković, Stevan  ; Armaković, Sanja  Article
22M22
2017New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approachesRanjith, P.K.; Mary, Y. Sheena; Panicker, C. Yohannan; Anto, P.L.; Armaković, Stevan  ; Armaković, Sanja  ; Musiol, Robert; Jampilek, Josef; Van, Alsenoy C.Article
22M22
2017Theoretical investigation on the reactivity and photophysical properties of cobalt(II) and manganese(II) complexes constructed using Schiff base ligands based on ALIE and TDDFT calculationsShiva, Prasad Kollur; Pillai, Renjith Raveendran; Armaković, Stevan  ; Armaković, Sanja  Article
22M22
2017Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxideBenzon, K.B.; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Pradhan, Kiran; Nanda, Ashis Kumar; Van, Alsenoy C.Article
22M22
2017FT-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 calculationsMenon, Vidya V.; Fazal, Edakot; Mary, Y.Sheena; Panicker, C.Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Nagarajan, Subban; Van, Alsenoy C.Article
22M22
2017Novel synthetic approach, spectroscopic characterization and theoretical studies on global and local reactive properties of a bibenzimidazolyl derivativePrasad, Kollur Shiva; Nayak, Nagaraj; Pillai, Renjith Raveendran; Armaković, Stevan  ; Armaković, Sanja  Article
22M22
2017Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazoleSheena, Mary Y.; Al-Shehri, Mona M.; Jalaja, K.; Al-Omary, Fatmah A.M.; El-Emam, Ali A.; Yohannan, Panicker C.; Armaković, Stevan  ; Armaković, Sanja  ; Temiz-Arpaci, Ozlem; Van, Alsenoy C.Article
22M22
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.Article
22M22
2016Experimental and Theoretical Analysis of fullerenol nanoparticles/water systemVraneš, Milan B.  ; Borišev, Ivana Đ.  ; Armaković, Stevan R.  ; Armaković, Sanja J.  ; Tot, Aleksandar S. ; Jović, Danica S.  ; Gadžurić, Slobodan B.  ; Đorđević, Aleksandar N.  Conference Paper
Mp. category will be shown later
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 ChristianArticle
21M21
2016Fotokatalitička stabilnost odabranih aktivnihkomponenata kardiovaskularnih lekova: kinetika, mehanizam i toksičnostintermedijeraArmaković, Sanja  Doctoral theses
70M70
2016Investigation of boron modified graphene nanostructures; optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheetsArmaković, Stevan  ; Armaković, Sanja  Article
22M22
2016Determination of reactive properties of 1-butyl-3-methylimidazolium taurate ionic liquid employing DFT calculationsArmaković, Stevan  ; Armaković, Sanja  ; Vraneš, Milan  ; Tot, Aleksandar ; Gadžurić, Slobodan  Article
21M21
2016Photocatalytic degradation of propranolol using TiO2 Degussa P25Armaković, Sanja  ; Četojević-Simin, Dragana  ; Abramović, Biljana Conference Paper
Mp. category will be shown later
2016Comparative structural analysis of some bioactive aminoguanidine Schiff basesRadanović Mirjana  ; Vojinovic-Jesic Ljiljana  ; Rodić Marko  ; Leovac Vukadin; Armaković Stevan  ; Armaković Sanja  Conference Paper
Mp. category will be shown later