Researchers



Results 181-200 of 307
Issue DateTitleAuthor(s)TypeМp-cat.
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
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
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
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
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
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
2016Theoretical investigation of loratadine reactivity in order to understand its degradation properties: DFT and MD studyArmaković, Stevan  ; Armaković, Sanja  ; Abramović, Biljana Article
21M21
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
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