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Theoretical Studies on the Thermodynamic Properties and Detonation Performance of 19-Fluoro-9,10,20,
[会议论文] 作者：ZHAO Guo-zheng,JIA Jian-feng,WU Hai-shun,
来源：第十三届全国量子化学会议 年份：2017
The B3LYP/6-31+G(d)method of density functional theory(DFT)was used to study thermodynamic properties.The heat of formation(HOF)and calculated density were estimated to evaluate the detonation propert...
Periodic density functional study of pressure effects on energetic ionic salt hydroxylammonium 5-nit
[会议论文] 作者：FAN Rong-rong,ZHAO Guo-zheng,JIA Jian-feng,WU Hai-shun,
来源：第十三届全国量子化学会议 年份：2017
In this work,a detailed study of the structural and electronic properties of the energetic ionic salt hydroxylammonium 5-nitrotetrazolate-2N-oxide(HANTO)in...
Periodic density functional study of pressure effects on energetic ionic salt hydroxylammonium 5-nit
[会议论文] 作者：FAN Rong-rong,ZHAO Guo-zheng,JIA Jian-feng,WU Hai-shun,
来源：第十三届全国量子化学会议 年份：2017
In this work,a detailed study of the structural and electronic properties of the energetic ionic salt hydroxylammonium 5-nitrotetrazolate-2N-oxide(HANTO)in the pressure range of 0-150 GPa was performe...
[期刊论文] 作者：REN Ying,WANG Tao,ZHANG Ting-Ting,JIA Jian-Feng,WU Hai-Shun,
来源：结构化学 年份：2021
A systematic theoretical investigation has been studied on Fujiwara-Moritani reaction between 3-methoxyacetanilide with n-butyl acrylate by means of density fun...
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