DFT Investigation of a High Energy Density Polynitro Compound, 2,2’-Bis(trinitromethyl)-5,5’-azo-1,2,3,4- tetrazole

DFT Investigation of a High Energy Density Polynitro Compound, 2,2’-Bis(trinitromethyl)-5,5’-azo-1,2,3,4- tetrazole

He LIN, Shun-Guan ZHU, Peng-Yuan CHEN, Kun LI, Hong-Zhen LI and Xin-Hua PENG
Keywords: polynitro, electronic structure, thermodynamic properties, crystal structure, detonation performance, stability
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