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Rezultati 101-120 od 270

GodinaNaslovAutor(i)Tip rezultataMp-kat.
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. YohannanNaučni članak
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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 ;
Naučni članak
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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.Naučni članak
21M21 - Rad u vrhunskom međ. časopisu
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.Naučni članak
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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.Naučni članak
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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  Naučni članak
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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 Naučni članak
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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  Naučni članak
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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  Naučni članak
21M21 - Rad u vrhunskom međ. časopisu
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. SreenivasaNaučni članak
22M22 - Rad u istaknutom međ. časopisu
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. Konferencijski rad
Mp kategorija će biti prikazana naknadno.
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 GeoffreyNaučni članak
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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  Naučni članak
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2018Adsorption properties of graphene towards the ephedrine – A frequently used molecule in sportArmaković, Stevan  ; Armaković, Sanja  ; Tomić, Bogdan T.; Pillai, Renjith Raveendran; Panicker, C. YohannanNaučni članak
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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.Naučni članak
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2017Theoretical investigation on the reactivity and photophysical properties of cobalt(II) and manganese(II) complexes constructed using Schiff base ligands based on ALIE and TDDFT calculationsShiva, Prasad Kollur; Pillai, Renjith Raveendran; Armaković, Stevan  ; Armaković, Sanja  Naučni članak
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2017FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculationsMenon, Vidya V.; Fazal, Edakot; Mary, Y.Sheena; Panicker, C.Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Nagarajan, Subban; Van, Alsenoy C.Naučni članak
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2017Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxideBenzon, K.B.; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Pradhan, Kiran; Nanda, Ashis Kumar; Van, Alsenoy C.Naučni članak
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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.Naučni članak
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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.Naučni članak
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Rezultati 101-120 od 270