Researchers



Results 141-160 of 302
Issue DateTitleAuthor(s)TypeМp-cat.
2018Synthesis of 5-(5-methyl-benzofuran-3-ylmethyl)-3H- [1, 3, 4] oxadiazole-2-thione and investigation of its spectroscopic, reactivity, optoelectronic and drug likeness properties by combined computational and experimental approachHiremath, Sudhir M.; Suvitha, A.; Patil, Ninganagouda R.; Hiremath, Chidanandayya S.; Khemalapure, Seema S.; Pattanayak, Subrat K.; Negalurmath, Veerabhadrayya S.; Obelannavar, Kotresh; Armaković, Sanja  ; Armaković, Stevan  Article
21M21
2018Remarkable colorimetric sensing behavior of pyrazole-based chemosensor towards Cu(II) ion detection: synthesis, characterization and theoretical investigationsNayak, Nagaraj; Prasad, Kollur Shiva; Pillai, Renjith Raveendran; Armaković, Stevan  ; Armaković, Sanja  Article
21M21
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
2018Adsorption properties of graphene towards the ephedrine – A frequently used molecule in sportArmaković, Stevan  ; Armaković, Sanja  ; Tomić, Bogdan T.; Pillai, Renjith Raveendran; Panicker, C. YohannanArticle
22M22
2018Uticaj strukture odabranih aktivnih komponenata lekova i pesticida na reaktivna i adsorpciona svojstva u prisustvu ZrO2: DFT i MD studijaArmaković, Stevan R.  ; Armaković, Sanja J.  ; Abramović, Biljana F. Conference Paper
Mp. category will be shown later
2018Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drugAbraham, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Armaković, Sanja  ; Armaković, Stevan  ; Rizwana, B. Fathima; A.S., Ben GeoffreyArticle
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
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
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 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
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
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
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
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
2017Synthesis, XRD crystal structure, spectroscopic characterization, local reactive properties using DFT and molecular dynamics simulations and molecular docking study of (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-oneArshad, Suhana; Raveendran, Pillai Renjith; Zainuri, Dian Alwani; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Armaković, Stevan  ; Armaković, Sanja  ; Renjith, Rishikesh; Panicker, C. Yohannan; 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
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
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