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Compression behavior and vibrational properties of new energetic material llm-105 analyzed using the dispersion-corrected density functional theory

  • 【获取途径】 OA资源
  • 【作者】Li, Tianming,Fan, Junyu,Wang, Zhuoran,Qi, Hanhan,Su, Yan,Zhao, Jijun
  • 【刊名】Molecules
  • 【作者单位】a Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China; b Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, (Dalian University of Technology), Ministry of Education, Dalian, 116024, China; c Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China
  • 【年份】2021
  • 【卷号】Vol.26 No.22
  • 【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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