机译:合成,分子动态模拟和密度泛函理论洞察2,4,6-三硝基甲苯/ 1,3,5-三硝基苯的Cocrystal爆炸物
Nanjing Tech Univ Coll Safety Sci &
Engn Jiangsu Key Lab Hazard Chem Safety &
Control Nanjing 210009 Jiangsu Peoples R China;
Nanjing Tech Univ Coll Safety Sci &
Engn Jiangsu Key Lab Hazard Chem Safety &
Control Nanjing 210009 Jiangsu Peoples R China;
Nanjing Tech Univ Coll Safety Sci &
Engn Jiangsu Key Lab Hazard Chem Safety &
Control Nanjing 210009 Jiangsu Peoples R China;
Nanjing Tech Univ Coll Safety Sci &
Engn Jiangsu Key Lab Hazard Chem Safety &
Control Nanjing 210009 Jiangsu Peoples R China;
Nanjing Tech Univ Coll Safety Sci &
Engn Jiangsu Key Lab Hazard Chem Safety &
Control Nanjing 210009 Jiangsu Peoples R China;
Nanjing Tech Univ Coll Safety Sci &
Engn Jiangsu Key Lab Hazard Chem Safety &
Control Nanjing 210009 Jiangsu Peoples R China;
Nanjing Univ Sci &
Technol Sch Chem Engn Nanjing 210094 Jiangsu Peoples R China;
TNT/TNB; cocrystal energetic material; molecular dynamic simulation; density functional theory; Hirshfeld analysis;
机译:合成,分子动态模拟和密度泛函理论洞察2,4,6-三硝基甲苯/ 1,3,5-三硝基苯的Cocrystal爆炸物
机译:ReaxFF反应性分子中的八氢-1,3,5,7-四硝基-1,3,5,7-四唑啉和1,3,5-三氨基-2,4,6-三硝基苯高炸药热分解过程中碳簇的形成动力学模拟
机译:色散校正密度泛函理论研究不敏感炸药1,3,5-三氨基-2,4,6-三硝基苯的压缩行为和光谱性质
机译:分子动态仿真与密度泛函理论洞察富硝酸盐,5-Dianiinotetrazole(DAT)
机译:金和铜纳米结构的形状选择合成:从密度泛函理论和分子动力学的见解。
机译:基于太赫兹时域光谱分析和密度泛函理论(DFT)计算的农药的光谱表征和分子动力学模拟
机译:ReaxFF反应性分子对八氢-1,3,5,7-四硝基-1,3,5,7-四唑啉和1,3,5-三氨基-2,4,6-三硝基苯高炸药热分解过程中碳簇的形成动力学模拟