Autori: Jalaja K
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 | 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 |
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 | 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 |
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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