How the constituents of HMX:2,4-dinitro-2,4-diazapentane cocrystal play a role at high pressure:A DF

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：eboy120

【摘要】

：

Density functional theory with dispersion corrections(DFT-D)was used to study pressure-induced effects in a novel energetic HMX:2,4-dinitro-2,4-diazapentane(DNDAP)cocrystal and to understand what role

【作者】

：

Zhicao Liu Qiong Wu Guolin Xiong Weihua Zhu

【机构】

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Institute for Computation in Molecular and Materials Science and Department of Chemistry,Nanjing Uni

【出处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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