Researchers

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Results 121-140 of 270

Issue DateTitleAuthor(s)TypeМ-cat.
2017New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approachesRanjith, P.K.; Mary, Y. Sheena; Panicker, C. Yohannan; Anto, P.L.; Armaković, Stevan  ; Armaković, Sanja  ; Musiol, Robert; Jampilek, Josef; Van, Alsenoy C.Article
22M22
2017Synthesis, crystal structure analysis, molecular docking studies and density functional theory predictions of the local reactive properties and degradation properties of a novel halochalconeArshad, Suhana; Pillai, Renjith Raveendran; Zainuri, Dian Alwani; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Armaković, Stevan  ; Armaković, Sanja  Article
22M22
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.Article
22M22
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  Article
22M22
2017Self-assembling, Reactivity and Molecular Dynamics of Fullerenol NanoparticlesVraneš, Milan  ; Borišev, Ivana  ; Tot, Aleksandar  ; Armaković, Stevan  ; Armaković, Sanja  ; Jović, Danica  ; Gadžurić, Slobodan  ; Đorđević, Aleksandar  Article
21M21
2017Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational studyS. Mary; N. Alzoman; V. Menon; E. Al-Abdullah; A. El-Emam; Y. Panicker; O. Temiz-Arpaci; Armaković, Stevan R.  ; Armaković, Sanja J.  ; C. Van AlsenoyArticle
22M22
2017Studies on the synthesis, spectroscopic analysis, molecular docking and DFT calculations on 1-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazol 3-oxideBenzon, K.B.; Sheena, Mary Y.; Panicker, C. Yohannan; Armaković, Stevan  ; Armaković, Sanja  ; Pradhan, Kiran; Nanda, Ashis Kumar; 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
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
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
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
2017Optoelectronic properties of curved carbon systemsArmaković, Stevan  ; Armaković, Sanja  ; Koziel, SlawomirArticle
21aM21a
2017Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical proceduresAswathy, V.V.; Alper-Hayta, Sabiha; Yalcin, Gözde; Mary, Y. Sheena; Panicker, C. Yohannan; Jojo, P.J.; Kaynak-Onurdag, Fatma; Armaković, Stevan  ; Armaković, Sanja  ; Yildiz, Ilkay;
Van, Alsenoy C.;
Article
22M22
2017Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazoleSarau, Devi A.; Aswathy, V.V.; Sheena, Mary Y.; Yohannan, Panicker C.; Armaković, Stevan  ; Armaković, Sanja  ; Ravindran, Reena; Van, Alsenoy C.Article
22M22
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.Article
22M22
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.Article
22M22
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.Article
22M22
2017Vibrational spectroscopic investigations, molecular dynamic simulations and molecular docking studies of N'-diphenylmethylidene-5-methyl-1h-pyrazole-3-carbohydrazideRaveendran Pillai R.; Menon Vidya V; Shyma Mary; Armaković Stevan  ; Armaković Sanja  ; Cyohannan Yohannan PanickerArticle
22M22
2017Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazoleSheena, Mary Y.; Al-Shehri, Mona M.; Jalaja, K.; Al-Omary, Fatmah A.M.; El-Emam, Ali A.; Yohannan, Panicker C.; Armaković, Stevan  ; Armaković, Sanja  ; Temiz-Arpaci, Ozlem; Van, Alsenoy C.Article
22M22
2017Novel synthetic approach, spectroscopic characterization and theoretical studies on global and local reactive properties of a bibenzimidazolyl derivativePrasad, Kollur Shiva; Nayak, Nagaraj; Pillai, Renjith Raveendran; Armaković, Stevan  ; Armaković, Sanja  Article
22M22

Results 121-140 of 270