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Intermolecular interactions and thermodynamic properties of LLM-105

  • 【作者】Fan, Jun-Yu,Gao, Nan,Wang, Peng-Ju,Su, Yan
  • 【刊名】Wuli Xuebao/Acta Physica Sinica
  • 【作者单位】aDepartment of Physics, Taiyuan Normal University, Jinzhong, 030619, China;bSchool of Materials Science and Engineering, Taizhou University, Taizhou, 318000, China;cZhejiang Laboratory, Hangzhou, 311100, China;dKey Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian, 116024, China
  • 【年份】2024
  • 【卷号】Vol.73 No.4
  • 【ISSN】1000-3290
  • 【关键词】intermolecular interactions LLM-105 quasi-harmonic approximation thermodynamic properties 
  • 【摘要】 2,6-diamino-3,5-dinitropyrazine-1-oxide is a typical high-energy and low-sensitivity energetic material , which has excellent detonation performance and thermal stability. In the quasi-harmonic approximation, the dispersion corrected density functio...
  • 【文献类型】 期刊
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