Researchers



Results 181-200 of 260
Issue DateTitleAuthor(s)TypeМp-cat.
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
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
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.Article
22M22
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 ChristianArticle
22M22
2017Insight 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) studyMary, Y. Sheena; Al-Omary, Fatmah A.M.; Mostafa, Gamal A.E.; El-Emam, Ali A.; Manjula, P.S.; Sarojini, B.K.; Narayana, B.; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy C.Article
22M22
2017Towards the new heterocycle based molecule: Synthesis, characterization and reactivity studyMurthy, P. Krishna; Sheena, Mary Y.; Suneetha, V.; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Giri, L.; Suchetan, P.A.; Van, Alsenoy C.Article
22M22
2017Optoelectronic properties of curved carbon systemsArmaković, Stevan  ; Armaković, Sanja  ; Koziel, SlawomirArticle
21aM21a
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 crystal structure, spectroscopic characterization (FT-IR, 1H and 13C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, (E)-1-(4-bromophenyl)-3-(4-iodophenyl)prop-2-en-1-oneZainuri, D. Alwani; Arshad, Suhana; Khalib, N. Che; Razak, I. Abdul; Pillai, Renjith Raveendran; Sulaiman, S. Fariza; Hashim, N. Shafiqah; Ooi, K. Leong; Armaković, Stevan  ; Armaković, Sanja  ;
Panicker, C. Yohannan; Van, Alsenoy C.;
Article
22M22
2017Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulationsBeegum, Shargina; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Zitko, Jan; Dolezal, Martin; 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
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
2016Coordination compounds of a hydrazone derivative with Co(III), Ni(II), Cu(II) and Zn(II): synthesis, characterization, reactivity assessment and biological evaluationHollo, B. Barta; Magyari, J.; Armaković, Sanja J.  ; Bogdanović, Goran A.  ; Rodic, M. V.  ; Armaković, Sanja J.  ; Molnar, J.; Spengler, G.; Leovac, Vukadin M. ; Szecsenyi, K. Meszaros Article
21M21
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
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
2016Investigation of boron modified graphene nanostructures; optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheetsArmaković, Stevan  ; Armaković, Sanja  Article
22M22
2016Photocatalytic degradation of propranolol using TiO2 Degussa P25Armaković, Sanja  ; Četojević-Simin, Dragana  ; Abramović, Biljana Conference Paper
Mp. category will be shown later
2016Influence of sumanene modifications with boron and nitrogen atoms to its hydrogen adsorption propertiesArmaković, Stevan  ; Armaković, Sanja  ; Pelemiš, Svetlana ; Mirjanić, DragoljubArticle
21aM21a
2016Structure making properties of 1-(2-hydroxylethyl)-3-methylimidazolium chloride ionic liquidVraneš, Milan  ; Tot, Aleksandar ; Armaković, Stevan  ; Armaković, Sanja  ; Gadžurić, Slobodan  Article
21aM21a