Autori: Panicker C Yohannan
| Naslov | Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, H-1 and C-13 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-bromopheny1)-3-(4-iodophenyl)prop-2-en-l-one (Article) |
| Autori | Zainuri D Alwani Arshad Suhana Khalib N Che Razak Ibrahim Abdul Pillai Renjith Raveendran Sulaiman S Fariza Shafiqah Hashim N Ooi K Leong Armakovic Stevan  Armakovic Sanja J Panicker C Yohannan Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1128 br. , str. 520-533 |
| Projekat | Malaysian Government; Universiti Sains Malaysia (USM); Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]; Schrodinger Inc.; [1001/PFIZIK/811238]; [1001/PBIOLOGI/813049] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science |
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| Naslov | Spectroscopic characterization of 4[2-(5-Ethylpyridin-2-yl)ethoxy] benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations (Article) |
| Autori | Jalaja K Mary Sheena Y Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Sagar BK Girisha M Yathirajan HS Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1128 br. , str. 245-256 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR34019] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Molecular 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 agent (Article) |
| Autori | Al-Omary Fatmah AM Mary Sheena Y Beegum Shargina Panicker C Yohannan Al-Shehri Mona M El-Emam Ali A Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1127 br. , str. 427-436 |
| Projekat | Deanship of Scientific Research at King Saud University [PRG-1436-23]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | FT-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 calculations (Article) |
| Autori | Menon Vidya V Fazal Edakot Mary Sheena Y Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Nagarajan Subban Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1127 br. , str. 124-137 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Spectroscopic, single crystal XRD structure, DFT and molecular dynamics investigation of 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (Article) |
| Autori | Mary Sheena Y Aswathy VV Panicker C Yohannan Bielenica Anna Brzozka Paulina Savczenko Oleksandra Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | RSC Advances, (2016), vol. 6 br. 113, str. 111997-112015 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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