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 Jijun1, †, Song Huajie3, ‡
       

(color online) (a) Molecular structure of TATB (C6H6N6O6) and crystal structures of TATB crystal at (b) 0 GPa and (c) 30 GPa. Color scheme: C, green; N, blue; O, red; H, white.