Theoretical Investigation on 5-amido-6-nitryl-1, 4-dioxide-furazan and Pyrazine (ANDFP)

摘要：

In order to get a new more insensitive and high energy explosive, a new compound 5-amido-6-nitryl- l,4-dioxide-furozan and pyrazine (ANDFP) was designed. Its structure and harmonic frequencies were investigated by density functional theoretical (DFT) at the level of B3LYP/6-31G At the same time its detonation parameters were calculated according experience method, and compared with that of explosives such as RDX, HMX, LLM-105. The results shown it is a promising explosive.

关键词： structure chemistry explosive furoxano pyrazine density functional theory (DFT)

作者: WU Minnie JIN Shaohua LI Lijie CHEN Shusen LIU Jinquan

作者单位: School of Material Science and Engineering, Beijing Institute of Technology, Beijing 10081, China

会议类型: 国际会议

会议名称: 2007国际推进剂、炸药、烟火技术秋季研讨会(The 2007 International Autumn Seminar on Propellants,Explosives and Pyrotechnics)

会议地点: 西安

会议语种:英文

页码: 36-40

在线出版日期: 2007-10-23（万方平台首次上网日期，不代表论文的发表时间）