Periodic density functional study of pressure effects on energetic ionic salt hydroxylammonium 5-nit

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:duzitengnihaoma
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  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 performed by density functional theory calculations.
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