Jing-ling Shen, Guangqin Wang, Dejun Jiang
Oct 1, 2010
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0
Influential Citations
13
Citations
Journal
Optik
Abstract
Abstract Experimental and theoretical investigations of THz spectral features of caffeine and 3-acetylmorphine in the region of 0.2–2.6 THz have been presented. The refractive indices and absorption coefficients of the two drugs were obtained by a terahertz time-domain spectroscopy (THz-TDS) technique. The simulated absorption spectra using the density functional theory (DFT) and Hartree–Fork (HF) are in agreement with the experimental data. The observed spectral absorption features were assigned based on DFT and HF calculation.