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) Evolution of bond lengths of two C–N bonds (both nitro and amino) and intramolecular and intermolecular hydrogen bonds of amino and nitro groups with pressure.