QSPR modeling of detonation parameters and sensitivity of some energetic materials: DFT vs. PM3 calculations

2017 ◽  
Vol 23 (6) ◽  
Author(s):  
Jianying Zhang ◽  
Gangling Chen ◽  
Xuedong Gong
Author(s):  
Mateusz Szala ◽  
Tomasz Sałaciński

The review discusses the products of 2,4,6-trinitrotoluene reactions which have explosive properties or are potentially high-energy compounds. The following compounds are discussed: trinitrobenzene, cyanotrinitrobenzene, trinitroxylene, aminotrinitrotoluenes, trinitronitromethylbenzene, methylene bis(2,4,6-trinitrobenzene), hexanitrostilbene, nitromethyldiphenylamines, 4,4’,6,6’-tetranitro-2,2’-azoxytoluene and 2,4,6-trinitrobenzylideneamine derivatives. The synthesis pathways are provided for all compounds and the detonation parameters are presented for selected compounds.


Author(s):  
Denis Spitzer ◽  
Vincent Pichot ◽  
Jean-Edouard Berthe ◽  
Florent Pessina ◽  
Tanja Deckert-Gaudig ◽  
...  

Author(s):  
Valery P. Sinditskii ◽  
Viacheslav Yu. Egorshev ◽  
Valery V. Serushkin ◽  
Anton I. Levshenkov ◽  
Maxim V. Berezin ◽  
...  

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