DFT studies on new family of high‐energy density energetic bis(trinitromethyl) azo tetrazoles and triazoles

2019 ◽  
Vol 32 (7) ◽  
pp. e3953 ◽  
Author(s):  
Piao He ◽  
Jianguo Zhang ◽  
Jinting Wu
Keyword(s):  
Energy Density ◽  
High Energy ◽  
High Energy Density ◽  
Dft Studies ◽  
New Family

Computational insight into a new family of functionalized tetrazole-N-oxides as high-energy density materials

2019 ◽  
Vol 43 (42) ◽  
pp. 16454-16460
Author(s):  
Piao He ◽  
Jingjie Han ◽  
Jinting Wu ◽  
Haozheng Mei ◽  
Jianguo Zhang
Keyword(s):  
Energy Density ◽  
Environmentally Friendly ◽  
High Energy ◽  
High Energy Density ◽  
Excellent Performance ◽  
New Family ◽  
High Energy Density Materials ◽  
Insight Into

A new family of energetic derivatives based on functionalized tetrazole-N-oxides was designed, and their properties were extensively investigated. The excellent performance makes them promising candidates for new environmentally friendly HEDMs.

DFT studies toward the design and properties of high-energy density hydrocarbon fuel

2008 ◽  
Vol 866 (1-3) ◽  
pp. 63-74 ◽  
Author(s):  
Li-Mei Qiu ◽  
Dan-Yang Ye ◽  
Wei Wei ◽  
Ke-Hai Chen ◽  
Jun-Xian Hou ◽  
...  
Keyword(s):  
Energy Density ◽  
Hydrocarbon Fuel ◽  
High Energy ◽  
High Energy Density ◽  
Dft Studies

DFT Studies on a High Energy Density Cage Compound 4-Trinitroethyl-2,6,8,10,12-pentanitrohezaazaisowurtzitane

2011 ◽  
Vol 115 (24) ◽  
pp. 6617-6621 ◽  
Author(s):  
Jian-ying Zhang ◽  
Hong-chen Du ◽  
Fang Wang ◽  
Xue-dong Gong ◽  
Yin-sheng Huang
Keyword(s):  
Energy Density ◽  
High Energy ◽  
High Energy Density ◽  
Dft Studies ◽  
Cage Compound
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