Browsing by Author Jalaja K

Showing results 1 to 3 of 3
Issue DateTitleAuthor(s)
2017Spectroscopic characterization of 1-[3-(1h-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulationsWar Ahmad; Jalaja K; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Srivastava Santosh; Van Alsenoy C.
2017Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy] benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulationsJalaja K; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Sagar B.K; Girisha M; Yathirajan H.S.; Van Alsenoy C.
2017Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazoleSheena Mary; Shehri Mona; Jalaja K; Al Omary Fatmah A.M.; El Emam Ali; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Temiz Arpaci O.; Van Alsenoy C.