Theoretical study of BTF/TNA cocrystal： Effects of hydrostatic pressure and temperature

• 作 者: Peng-yuan CHEN Lin ZHANG Shun-
• 机 构: SchoolofChemicalEngineering
• 出 处: Defence Technology（防务技术）
• 发表日期: 2015年2期
• 关键词: 静水压力 共结晶 BTF TNA 密度泛函理论 温度 模拟计算 分子动力学 Cocrystal BTFfFNA DFT High pressure Cr
• 基金项目: AcknowledgmentsThe authors gratefully acknowledge the support of the National Natural Science Foundation of China （Grant No. 61106078）.

Cocrystallization is a promising technique for the design and preparation of new explosives,and the stability of cocrystal is highly concerned by the researchers.In order to make a better understanding of the behavior of cocrystal under the extreme condit