Low Energy Vibrations and Crystalline Structure of Ambroxol Hydrochloride by THz Spectroscopy and DFT Calculations
Tereza Uhlíková,
Ivana Šlechtová,
Jan Koucký
et al.
Abstract:The widely used drug ambroxol hydrochloride (A‐HCl), was subjected to analysis by terahertz time domain (THz‐TDS) spectroscopy and quantum chemistry calculations. The performed X‐ray measurement confirmed the C2/c crystallographic group for A‐HCl. On the contrary, the presented theoretical calculations, achieved by solid‐state density functional theory (ss‐DFT), determined the structure in the global minima on potential energy surface which belong to the Cc crystallographic group. In the frame of this symmetri… Show more
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