Researchers



Results 121-140 of 302
Issue DateTitleAuthor(s)TypeМp-cat.
2019Understanding how yttrium doping influences the properties of nickel ferrite – Combined experimental and computational studyJankov, Stevan  ; Armaković, Stevan  ; Đurđić, Elvira  ; Skuban, Sonja  ; Srdić, Vladimir  ; Cvejić, Željka  Article
21aM21a
2019Spectroscopic, antimicrobial and computational study of novel benzoxazole derivativeBeegum, Shargina; Mary, Y Sheena; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Arisoy, Mustafa; Temiz-Arpaci, Ozlem; Van, Alsenoy ChristianArticle
22M22
2018Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by dft and molecular dynamics simulationsThomas, Renjith; Hossain, Mossaraf; Mary, Y. Sheena; Resmi, K.S.; Armaković, Stevan  ; Armaković, Sanja  ; Nanda, Ashis Kumar; Ranjan, Vivek Kumar; Vijayakumar, G.; Van, Alsenoy C.Article
22M22
2018Complexes of Zn(II) and Cd(II) with 2-acetylpyridine -aminoguanidine – Syntheses, structures, and DFT calculationsRadanović Mirjana  ; Rodić Marko  ; Vojinović Ljiljana  ; Armaković Stevan  ; Armaković Sanja  ; Leovac Vukadin Article
22M22
2018Vibrational and electronic absorption spectroscopic profiling, natural hybrid orbital, charge transfer, electron localization function and molecular docking analysis on 3-amino-3-(2-nitrophenyl) propionic acidAbraham, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Fathima, Rizwana B.; Armaković, Stevan  ; Armaković, Sanja  Article
22M22
2018Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xyleneVenkatesh, G.; Kamal, C.; Vennila, P.; Govindaraju, M.; Mary, Y. Sheena; Armaković, Stevan  ; Armaković, Sanja  ; Kaya, S.; Panicker, C. YohannanArticle
22M22
2018Spectroscopic characterization of 8-hydroxy-5-nitroquinoline and 5-chloro-8-hydroxy quinoline and investigation of its reactive properties by DFT calculations and molecular dynamics simulationsSureshkumar, B.; Sheena, Mary Y.; Suma, S.; Armaković, Stevan  ; Armaković, Sanja  ; Alsenoy, C. Van; Narayana, B.; Sasidharan, Binil P.Article
22M22
2018Synthesis, characterization and computational studies of semicarbazide derivativeMuthukkumar, M.; Bhuvaneswari, T.; Venkatesh, G.; Kamal, C.; Vennila, P.; Armaković, Stevan  ; Armaković, Sanja  ; Sheena, Mary Y.; Yohannan, Panicker C.Article
21M21
2018Interactions of Schiff base compounds and their coordination complexes with the drug cisplatinMađari, Jožef; Barta Holo, Berta  ; Vojinović Ješić, Ljiljana  ; Radanović, Mirjana  ; Armaković, Stevan  ; Armaković, Sanja  ; Molnár, Joseph; Kincses, Annamária; Gajdács, Márió; Spengler, Gabriella;
Mesaroš Sečenji, Katalin ;
Article
21M21
2018Synthesis, spectroscopic analyses, chemical reactivity and molecular docking study and anti-tubercular activity of pyrazine and condensed oxadiazole derivativesAl-Tamimi, Abdul-Malek S.; Mary, Y. Sheena; Miniyar, Pankaj B.; Al-Wahaibi, Lamya H.; El-Emam, Ali A.; Armaković, Stevan  ; Armaković, Sanja  Article
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
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
2018Synthesis, characterization and computational study of the newly synthetized sulfonamide moleculeMurthy, P. Krishna; Suneetha, V.; Armaković, Stevan  ; Armaković, Sanja  ; Suchetan, P.A.; Giri, L.; Rao, R. SreenivasaArticle
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
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
2018Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studiesSureshkumar, B.; Mary, Y.Sheena; Resmi, K.S.; Suma, S.; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy C.; Narayana, B.; Sobhana, D.Article
22M22
2018Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulationsSureshkumar B.; Sheena Mary; Resmi K.S.; Cyohannan Yohannan Panicker; Armaković Stevan  ; Armaković Sanja  ; Van Alsenoy C.; Narayana B.; Suma S.Article
22M22
2018Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivativeMenon, Vidya V.; Sheena, Mary Y.; Shyma, Mary Y.; Panicker, C. Yohannan; Bielenica, Anna; Armaković, Stevan  ; Armaković, Sanja  ; Van, Alsenoy ChristianArticle
22M22
2018Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed oxadiazole and pyrazine derivativesEl-Azab, Adel S.; Mary, Y. Sheena; Abdel-Aziz, Alaa A.M.; Miniyar, Pankaj B.; Armaković, Stevan  ; Armaković, Sanja  Article
22M22