Title : DFT studies on a high energy density cage compound 4-trinitroethyl-2,6,8,10,12-pentanitrohezaazaisowurtzitane.

Pub. Date : 2011 Jun 23

PMID : 21598938






2 Functional Relationships(s)
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1 Polynitro cage compound 4-trinitroethyl-2,6,8,10,12-pentanitrohexaazaisowurtzitane has the same framework with but higher stability than CL-20 and is a potential new high energy density compound (HEDC). polynitro epithelial membrane protein 1 Homo sapiens
2 The calculated results show that the first step of pyrolysis is the rupture of the N-NO(2) bond in the side chain and verify the experimental observation that the title compound has better stability than CL-20. Nitrous Oxide epithelial membrane protein 1 Homo sapiens