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Author:  Van Alsenoy C.

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Issue DateTitleAuthor(s)
120184-[(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 Ali
25-Mar-2018Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivativeMenon V.; Sheena Mary Y.; Shyma Mary Y.; Panicker C.; Bielenica A.; Armaković, Stevan ; Armaković, Sanja ; Van Alsenoy C.
32018Combined 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.
42017Conformational, 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.
52020Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thioureaBielenica Anna; Beegum Shargina; Mary Y. Sheena; Mary Y. Shyma; Thomas Renjith; Armaković Stevan ; Armaković Sanja J.; Madeddu Silvia; Struga Marta; Van Alsenoy C.
62020Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical toolsBeegum Shargina; Mary Y. Sheena; Mary Y. Shyma; Thomas Renjith; Armaković Stevan ; Armaković Sanja ; Zitko Jan; Dolezal Martin; Van Alsenoy C.
72017FT-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 E.; Al Omary Fatmah A.M.; El Emam Ali; Anto P.L.; Sheena Mary; Armaković Stevan ; Armaković Sanja ; Zitko Jan; Dolezal Martin; Van Alsenoy C.
82017FT-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.
92017FT-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.
102017ibrational 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.
112017Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) studySheena Mary; Al Omary Fatmah A.M.; Mostafa Gamal; El Emam Ali; Manjula P.S.; Sarojini B.K.; Narayana B.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.
122017Investigation 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.
132017Investigation 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.
142017Modification 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.
152017Molecular 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.
162017New 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.
172017Newly 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.
182020Quinoline 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.
192017Reactive, 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.
202018Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by dft and molecular dynamics simulationsThomas Renjith; Hossain Mossaraf; Sheena Mary; Resmi K.S.; Armaković Stevan ; Armaković Sanja ; Kumar Ashis Nanda; Ranjan Vivek Kumar; Vijayakumar G.; Van Alsenoy C.