Synthesis, characterization, AIM and NBO analysis of HMX/DMI cocrystal explosive

Previous investigations show that cocrystallization is emerging as an attractive strategy to decrease sensitivities of high energy materials and maintain their detonation performance. In this work, HMX/DMI cocrystal explosive was synthesized, characterized, and investigated by using density functional theory. It provides some novel insight for the design of HMX cocrystal explosive.