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Results 81-100 of 263

Issue DateTitleAuthor(s)TypeМ-cat.
2019Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole ringsPillai, Renjith Raveendran; Karrouchi, Khalid; Fettach, Saad; Armaković, Stevan  ; Armaković, Sanja  ; Brik, Younes; Taoufik, Jamal; Radi, Smaail; El, Abbes Faouzi My; Ansar, M'hammedArticle
22M22
2019Fullerene C24</inf> as a potential carrier of ephedrine drug-a computational study of interactions and influence of temperatureTomić Bogdan; Abraham Christina Susan; Пелемиш Светлана ; Armaković Sanja  ; Armaković Stevan  Article
21M21
2019Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potentialThomas, Renjith; Mary, Y. Sheena; Resmi, K.S.; Narayana, B.; Sarojini, S.B.K.; Armaković, Stevan  ; Armaković, Sanja  ; Vijayakumar, G.; Alsenoy, C. Van; Mohan, B.J.Article
22M22
2019Molecular structure, optoelectronic properties, spectroscopic (FT-IR, FT-Raman and UV–Vis), H-BDE, NBO and drug likeness investigations on 7, 8-benzocoumarin-4-acetic acid (7BAA)Khemalapure, Seema S.; Katti, Vinay S.; Hiremath, Chidanandayya S.; Basanagouda, Mahantesha; Hiremath, Sudhir M.; Armaković, Sanja  ; Armaković, Stevan  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
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
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
22M22
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
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
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
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
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
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
2018Photocatalytic degradation of 4-amino-6-chlorobenzene-1,3-disulfonamide stable hydrolysis product of hydrochlorothiazide: Detection of intermediates and their toxicity (✓)Armaković, Sanja  ; Armaković, Stevan  ; Četojević-Simin, Dragana  ; Šibul, Filip  ; Abramović, Biljana Article
21aM21a
2018Two novel imidazole derivatives – Combined experimental and computational studySmitha, M.; Mary, Y. Sheena; Hossain, Mossaraf; Resmi, K.S.; Armaković, Stevan  ; Armaković, Sanja  ; Pavithran, Rani; Nanda, Ashis Kumar; Van, Alsenoy C.Article
22M22
20184-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid, a newly synthesized amide with hydrophilic and hydrophobic segments: Spectroscopic characterization and investigation of reactive propertiesSheena Mary; Al Abdullah E.; Aljohar H.; Narayana B.; Nayak P.; Sarojini B.K.; Armaković Stevan  ; Armaković Sanja  ; Van Alsenoy C.; El Emam AliArticle
23M23
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
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

Results 81-100 of 263