Researchers



Results 181-200 of 307
Issue DateTitleAuthor(s)TypeМp-cat.
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
2017Vibrational spectroscopic investigations, molecular dynamic simulations and molecular docking studies of N'-diphenylmethylidene-5-methyl-1h-pyrazole-3-carbohydrazideRaveendran Pillai R.; Menon Vidya V; Shyma Mary; Armaković Stevan  ; Armaković Sanja  ; Cyohannan Yohannan PanickerArticle
22M22
2017Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro 2-phenoxymethyl benzimidazoleMenon Vidya V; Foto Egemen; Mary Sheena; Karatas Esin; Cyohannan Yohannan Panicker; Yalcin Gozde; Armaković Stevan  ; Armaković Sanja  ; Van Alsenoy C.; Yildiz IlkayArticle
22M22
2017Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic characterization, reactivity study by DFT and MD approaches and molecular docking study of a novel chalcone derivativeArshad, Suhana; Pillai, Renjith Raveendran; Zainuri, Dian Alwani; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Armaković, Stevan  ; Armaković, Sanja  ; Panicker, C. Yohannan; Van, Alsenoy C.Article
22M22
2017Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulationsSureshkumar, B.; Sheena, Mary Y.; Panicker, C. Yohannan; Resmi, K.S.; Suma, S.; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy C.Article
22M22
2017Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy] benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulationsJalaja K; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan  ; Armaković Sanja  ; Sagar B.K; Girisha M; Yathirajan H.S.; Van Alsenoy C.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
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
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  Article
21aM21a
2016Structure making properties of 1-(2-hydroxylethyl)-3-methylimidazolium chloride ionic liquidVraneš, Milan  ; Tot, Aleksandar ; Armaković, Stevan  ; Armaković, Sanja  ; Gadžurić, Slobodan  Article
21aM21a
2016Kosmotropism of newly synthesized 1-butyl-3-methylimidazolium taurate ionic liquid: Experimental and computational studyTot, Aleksandar ; Armaković, Stevan  ; Armaković, Sanja  ; Gadžurić, Slobodan  ; Vraneš, Milan  Article
21aM21a
2016Influence of sumanene modifications with boron and nitrogen atoms to its hydrogen adsorption propertiesArmaković, Stevan  ; Armaković, Sanja  ; Pelemiš, Svetlana ; Mirjanić, DragoljubArticle
21aM21a
2016Optoelectronic properties of higher acenes, their BN analogue and substituted derivativesArmaković, Stevan  ; Armaković, Sanja  ; Holodkov, Vladimir; Pelemiš, Svetlana Article
21M21
2016Theoretical investigation of loratadine reactivity in order to understand its degradation properties: DFT and MD studyArmaković, Stevan  ; Armaković, Sanja  ; Abramović, Biljana Article
21M21
2016Computational study of loratadine reactivity in order to understand its degradation properties from the aspect of DFT and MD simulationsArmaković, Sanja  ; Armaković, Stevan  ; Abramović, Biljana Conference Paper
Mp. category will be shown later
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
2016Investigation of boron modified graphene nanostructures; optoelectronic properties of graphene nanoparticles and transport properties of graphene nanosheetsArmaković, Stevan  ; Armaković, Sanja  Article
22M22
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
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