Autori: Van Alsenoy Christian
| Naslov | Insight 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) study (Article) |
| Autori | Mary Sheena Y Al-Omary Fatmah AM Mostafa Gamal AE El-Emam Ali A Manjula PS Sarojini Baladka K Narayana Badiadka Armakovic Stevan  Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1141 br. , str. 542-550 |
| Projekat | Deanship of Scientific Research at King Saud University [RG-1435-067]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures (Article) |
| Autori | Aswathy VV Alper-Hayta Sabiha Yalcin Gozde Mary Sheena Y Panicker C Yohannan Jojo PJ Kaynak-Onurdag Fatma Armakovic Stevan Armakovic Sanja J Yildiz Ilkay Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1141 br. , str. 495-511 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [01171039, TR 34019]; Ankara University [16H0237002] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Towards the new heterocycle based molecule: Synthesis, characterization and reactivity study (Article) |
| Autori | Murthy Krishna P Mary Sheena Y Suneetha V Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Giri L Suchetan PA Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1137 br. , str. 589-605 |
| 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 | Synthesis, 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-one (Article) |
| Autori | Arshad Suhana Pillai Renjith Raveendran Zainuri Dian Alwani Khalib Nuridayanti Che Razak Ibrahim Abdul Armakovic Stevan Armakovic Sanja J Renjith Rishikesh Panicker C Yohannan Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1137 br. , str. 419-430 |
| Projekat | Malaysian Government [1001/PFIZIK/811238]; Universiti Sains Malaysia [1001/PFIZIK/811238]; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | FT-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 calculations (Article) |
| Autori | Ranjith PK Al-Abdullah Ebtehal S Al-Omary Fatmah AM El-Emam Ali A Anto PL Sheena Mary Y Armakovic Stevan Armakovic Sanja J Zitko Jan Dolezal Martin Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1136 br. , str. 14-24 |
| Projekat | Deanship of Scientific Research at King Saud University [RG1435-062]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic characterization, reactivity study by DFT and MD approaches and molecular docking study of a novel chalcone derivative (Article) |
| Autori | Arshad Suhana Pillai Renjith Raveendran Zainuri Dian Alwani Khalib Nuridayanti Che Razak Ibrahim Abdul Armakovic Stevan Armakovic Sanja J Panicker C Yohannan Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1135 br. , str. 234-246 |
| Projekat | Research University [1001/PFIZIK/811238]; Malaysian Government; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches (Article) |
| Autori | Ranjith PK Mary Sheena Y Panicker Yohannan C Anto PL Armakovic Stevan Armakovic Sanja J Musiol Robert Jampilek Josef Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1135 br. , str. 1-14 |
| Projekat | schrodinger Inc; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019]; NCN [2013/09/B/NZ/00423]; Slovak Research and Development Agency [APVV-0516-12] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: Combined experimental, DFT, molecular dynamics and docking study (Article) |
| Autori | El-Azab Adel S Mary Shyma Y Mary Sheena Y Panicker C Yohannan Abdel-Aziz Alaa A-M Mohamed Menshawy A Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1134 br. , str. 863-881 |
| Projekat | Deanship of Scientific Research at King Saud University [RG-1435-046]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Newly synthesized dihydroquinazoline derivative from the aspect of combined spectroscopic and computational study (Article) |
| Autori | El-Azab Adel S Mary Sheena Y Mary Sheena Y Panicker C Yohannan Abdel-Aziz Alaa A-M El-Sherbeny Magda A Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1134 br. , str. 814-827 |
| Projekat | Deanship of Scientific Research at King Saud University [RGP-163]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichloropheny1)-3[3-(trifluoromethyl)phenyl] thiourea (ANF-6): Combined experimental and computational study (Article) |
| Autori | Aswathy VV Mary Sheena Y Jojo PJ Panicker C Yohannan Bielenica Anna Armakovic Stevan Armakovic Sanja J Brzozka Paulina Krukowski Sylwester Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1134 br. , str. 668-680 |
| 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 |
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