First Principles Calculation of the Chemisorption Properties of Nitro-Containing Molecules on the Al(111) Surface (Multiscale Simulations of High Energy Density Materials Challenge Project)

2002 ◽  
Author(s):  
Dan C. Sorescu ◽  
Jerry A. Boatz ◽  
Donald L. Thompson
Keyword(s):  
Energy Density ◽  
First Principles ◽  
High Energy ◽  
First Principles Calculation ◽  
High Energy Density ◽  
Multiscale Simulations ◽  
High Energy Density Materials

Trends of the macroscopic behaviors of energetic compounds: insights from first-principles calculations

2019 ◽  
Vol 21 (43) ◽  
pp. 24034-24041
Author(s):  
Chuli Sun ◽  
Weijing Zhang ◽  
Yongjun Lü ◽  
Feng Wang ◽  
Wei Guo ◽  
...  
Keyword(s):  
Energy Density ◽  
First Principles ◽  
High Energy ◽  
High Energy Density ◽  
First Principles Calculations ◽  
Energetic Compounds ◽  
High Energy Density Materials ◽  
The Relationship

Studies on the relationship between the microscopic properties and macroscopic behaviors of energetic compounds may provide clues for the synthesis and assessment of novel high energy density materials.

Chemical study of fused ring tetrazine derivatives as possible high energy density materials (HEDMs)

2021 ◽  
Vol 27 (9) ◽  
Author(s):  
Yuhe Jiang ◽  
Yuqin Luo ◽  
Jia Liu ◽  
Lu Zhang ◽  
Jinting Wu ◽  
...  
Keyword(s):  
Energy Density ◽  
Chemical Study ◽  
High Energy ◽  
High Energy Density ◽  
High Energy Density Materials ◽  
Fused Ring

Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole

RSC Advances ◽  
2016 ◽  
Vol 6 (88) ◽  
pp. 84760-84768 ◽  
Author(s):  
Yanan Li ◽  
Yuanjie Shu ◽  
Bozhou Wang ◽  
Shengyong Zhang ◽  
Lianjie Zhai
Keyword(s):  
Energy Density ◽  
Energetic Materials ◽  
High Energy ◽  
High Energy Density ◽  
Structure And Properties ◽  
High Energy Density Materials

Various neutral energetic derivatives based onN-functionalization of DNPP were synthesized, which can be used as new high energy-density materials.

scholarly journals High-Energy-Density Materials: An Amphoteric N-Rich Bis(triazole) and Salts of Its Cationic and Anionic Species

2021 ◽  
Author(s):  
Emmanuele Parisi ◽  
Alessandro Landi ◽  
Sandra Fusco ◽  
Carla Manfredi ◽  
Andrea Peluso ◽  
...  
Keyword(s):  
Energy Density ◽  
High Energy ◽  
High Energy Density ◽  
High Energy Density Materials ◽  
Anionic Species
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