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Compression Behavior and Vibrational Properties of New Energetic Material LLM-105 Analyzed Using the Dispersion-Corrected Density Functional Theory

  • 【作者】Tianming Li, Junyu Fan, Zhuoran Wang, Hanhan Qi, Yan Su, Jijun Zhao
  • 【刊名】Molecules (Basel, Switzerland)
  • 【作者单位】Affiliations 1 Department of Physics, Taiyuan Normal University, Jinzhong 030619, China. 2 Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024, China. 3 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong 030619, China.
  • 【年份】2021
  • 【卷号】Vol.26 No.22
  • 【页码】6831
  • 【ISSN】1420-3049
  • 【关键词】anisotropy energetic material high pressure uniaxial compression vibrational properties. 
  • 【摘要】 The 2,6-diamino-3,5-dinitropyrazine-1-oxide is a newly energetic material with an excellent performance and low sensitivity and has attracted considerable attention. On the basis of the dispersion-corrected density functional theory , the high-press...
  • 【文献类型】 期刊
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