结构化学
  ISSN 0254-5861  CN35-1112/TQ  
 
结构化学  2017, Vol. 36 Issue (8): 1232-1242    
  theoretical chemistry 本期目录 | 过刊浏览 | 高级检索 |
笼型含能晶体八硝基立方烷在高压下的分解和聚合机理的DFT-D研究
吴琼;谈玲华;杭祖圣;朱卫华
a (Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, China)
b (Institute for Computation in Molecular and Materials Science and Department of Chemistry, Nanjing University of Science and Technology, Nanjing 210094, China)
Insights into the Decomposition and Polymerization of Cage Energetic Crystal Octanitrocubane under High Pressure: a DFT-D Study
WU Qiong;TAN Ling-Hua;HANG Zu-Sheng;ZHU Wei-Hua
a (Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, School of Materials Science and Engineering, Nanjing Institute of Technology, Nanjing 211167, China)
b (Institute for Computation in Molecular and Materials Science and Department of Chemistry, Nanjing University of Science and Technology, Nanjing 210094, China)
 
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