Compression behavior and spectroscopic properties of insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene from dispersion-corrected density functional theory

Su Yan¹, Fan Junyu¹, Zheng Zhaoyang², Zhao Jijun^{1, †}, Song Huajie^{3, ‡}

(color online) Variations of simulated (a) Raman and (b) infrared spectra with pressure (0–30 GPa) over a broad frequency range.