刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2017
出版时间:15 March 2017
年:2017
卷:175
期:Complete
页码:51-60
全文大小:1168 K
卷排序:175
文摘
The observed vibrational frequencies were assigned and compared with the calculated values. UV-Vis spectra were simulated and compared with the experimentally observed spectrum. The NBO and FMOs analysis were carried out using the DFT calculations. Molecular docking analysis was performed and identified as a good inhibitor.