Истраживачи

Резултати 141-160 од 283
ГодинаНасловАутор(и)Тип резултатаМп-кат.
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.Научни чланак
22M22 - Међународни часопис категорије M22
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.Научни чланак
22M22 - Међународни часопис категорије M22
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.Научни чланак
22M22 - Међународни часопис категорије M22
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.Научни чланак
22M22 - Међународни часопис категорије M22
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  Научни чланак
22M22 - Међународни часопис категорије M22
2017Optoelectronic properties of curved carbon systemsArmaković, Stevan  ; Armaković, Sanja  ; Koziel, SlawomirНаучни чланак
21aM21a - Водећи међународни часопис категорије M21a
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  Научни чланак
22M22 - Међународни часопис категорије M22
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.Научни чланак
22M22 - Међународни часопис категорије M22
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.;
Научни чланак
22M22 - Међународни часопис категорије M22
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.;
Научни чланак
22M22 - Међународни часопис категорије M22
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 ChristianНаучни чланак
22M22 - Међународни часопис категорије M22
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  Научни чланак
21M21 - Водећи међународни часопис категорије M21
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.Научни чланак
22M22 - Међународни часопис категорије M22
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.Научни чланак
22M22 - Међународни часопис категорије M22
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.Научни чланак
22M22 - Међународни часопис категорије M22
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.Научни чланак
22M22 - Међународни часопис категорије M22
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.Научни чланак
22M22 - Међународни часопис категорије M22
2017Uncommon structure making/breaking behaviour of cholinium taurate in waterGadžurić, Slobodan  ; Tot, Aleksandar ; Armaković, Stevan  ; Armaković, Sanja  ; Panić, Jovana  ; Jović, Branislav  ; Vraneš, Milan  Научни чланак
21M21 - Водећи међународни часопис категорије M21
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 PanickerНаучни чланак
22M22 - Међународни часопис категорије M22
2017Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic characterization, reactivity study by DFT and MD approaches and molecular docking study of a novel chalcone derivativeArshad, Suhana; Pillai, Renjith Raveendran; Zainuri, Dian Alwani; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Armaković, Stevan  ; Armaković, Sanja  ; Panicker, C. Yohannan; Van, Alsenoy C.Научни чланак
22M22 - Међународни часопис категорије M22