Autori: Mary Sheena Y
| Naslov | Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations (Article) |
| Autori | Beegum Shargina Mary Sheena Y Varghese Herria Tresa Panicker C Yohannan Armakovic Stevan  Armakovic Sanja J Zitko Jan Dolezal Martin Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1131 br. , str. 1-15 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole (Article) |
| Autori | Menon Vidya V Foto Egemen Mary Sheena Y Karatas Esin Panicker C Yohannan Yalcin Gozde Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian Yildiz Ilkay
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1129 br. , str. 86-97 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI1171039, TR 34019] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations (Article) |
| Autori | War Javeed Ahmad Jalaja K Mary Sheena Y Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Srivastava Santosh Kumar Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1129 br. , str. 72-85 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI171039, TR 34019]; DST, New Delhi under INSPIRE scheme [IF120399] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational study (Article) |
| Autori | Mary Sheena Y Alzoman Nourah Z Menon Vidya V Al-Abdullah Ebtehal S El-Emam Ali A Panicker C Yohannan Temiz-Arpaci Ozlem Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1128 br. , str. 694-706 |
| Projekat | Deanship of Scientific Research at King Saud University [RG-1435-062]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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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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