Browsing by Author Cyohannan Yohannan Panicker


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Issue DateTitleAuthor(s)
2018Adsorption properties of graphene towards the ephedrine – A frequently used molecule in sportArmaković Stevan ; Armaković Sanja ; Tomić Bogdan; Raveendran Pillai R.; Cyohannan Yohannan Panicker
2018Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivativeMenon Vidya V; Sheena Mary; Shyma Mary; Cyohannan Yohannan Panicker; Bielenica Anna; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.
2017A complete computational and spectroscopic study of 2-bromo-1, 4-dichlorobenzene – A frequently used benzene derivativeVennila P.; Govindaraju M.; Venkatesh G.; Kamal C.; Sheena Mary; Cyohannan Yohannan Panicker; Kaya S.; Armaković Stevan ; Armaković Sanja 
2017Conformational, vibrational and DFT studies of a newly synthesized arylpiperazine-based drug and evaluation of its reactivity towards the human gaba receptorOnawole A.T.; Al Ahmadi A.F.; Sheena Mary; Cyohannan Yohannan Panicker; Ullah N.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Al Saadi A.A.
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 calculationsArshad S.; Raveendran Pillai R.; Alwani Zainuri D.; Che Khalib N.; Abdul Razak I.; Armaković Stevan ; Armaković Sanja ; Cyohannan Yohannan Panicker; Van Alsenoy C.
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; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Nagarajan Subban; Van Alsenoy C.
2017ibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulationsBeegum Shargina; Sheena Mary; Cyohannan Yohannan Panicker; Varghese Hema Tresa; Armaković Stevan ; Armaković Sanja ; Zitko Jan; Dolezal Martin; Van Alsenoy C.
2017Investigation of reactive and spectroscopic properties of oxobutanoic acid derivative: combined spectroscopic, DFT, MD and docking studySheena Mary; Shyma Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Narayana B.; Sarojini B.K.; Van Alsenoy C.
2017Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (anf-6): combined experimental and computational studyAswathy Vidya; Sheena Mary; Jojo P.J.; Cyohannan Yohannan Panicker; Bielenica Anna; Armaković Stevan ; Armaković Sanja ; Brzozka Paulina; Krukowski Sylwester; Van Alsenoy C.
2017Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical proceduresAswathy Vidya; Alper Hayta Sabiha; Yalcin Gozde; Sheena Mary; Cyohannan Yohannan Panicker; Jojo P.J.; Kaynak Onurdag Fatma; Armaković Stevan ; Armaković Sanja ; Yildiz Ilkay; Van Alsenoy C.
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.; Sheena Mary; Beegum Shargina; Cyohannan Yohannan Panicker; Shehri Mona; El Emam Ali; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.
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.; Sheena Mary Y.; Armaković Stevan ; Armaković Sanja ; Kaya S.; Cyohannan Yohannan Panicker
2017New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approachesRanjith P.K.; Sheena Mary; Cyohannan Yohannan Panicker; Anto P.L.; Armaković Stevan ; Armaković Sanja ; Musiol Robert; Jampilek Josef; Van Alsenoy C.
2017Newly synthesized dihydroquinazoline derivative from the aspect ofcombined spectroscopic and computational studyAzab Adel; Shyma Mary; Sheena Mary; Cyohannan Yohannan Panicker; Abdel-Aziz Alaa; El-Sherbeny Magda; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.
2020Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD studySureshkumar B.; Mary Y. Sheena; Cyohannan Yohannan Panicker; Suma S.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Narayana B.
2017Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational studySheena Mary; Alzoman N.; Menon Vidya V; Al Abdullah E.; El Emam Ali; Cyohannan Yohannan Panicker; Temiz Arpaci O.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.
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.
2017Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulationsSureshkumar B.; Sheena Mary; Cyohannan Yohannan Panicker; Resmi K.S.; Suma S.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.
2017Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: combined experimental, DFT, molecular dynamics and docking studyAzab Adel; Shyma Mary; Sheena Mary; Cyohannan Yohannan Panicker; Abdel-Aziz Alaa; Mohamed Menshawy; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.
2017Spectroscopic characterization of 1-[3-(1h-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulationsWar Ahmad; Jalaja K; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Srivastava Santosh; Van Alsenoy C.
Showing results 1 to 20 of 33  next >