Autori: Al-Omary Fatmah AM
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 |
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 | 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 |
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, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole (Article) |
Autori | Sheena-Mary Y Al-Shehri Mona M Jalaja K Al-Omary Fatmah AM El-Emam Ali A Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Temiz-Arpaci Ozlem Van Alsenoy Christian |
Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1133 br. , str. 557-573 |
Projekat | Deanship of Scientific Research at King Saud University [RGP-1435-067]; Schrodinger Inc. |
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 |
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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