Density functional analysis of a decompo
Density functional analysis of a decomposition of 4-nitro-1,2,3-triazole through the evolution of N2
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Peter Politzer; M. Edward Grice; Jorge M. Seminario
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Article
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1997
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John Wiley and Sons
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English
โ 127 KB
๐ 2 views
A density functional computational study shows that 4-nitro-1,2,3-triazole, which is highly impact sensitive, can decompose through ring opening and subsequent N 2 evolution, with the net release of 12 kcalrmol. An input of 52 kcalrmol is required to initiate the process. แฎ 1997 John Wiley & Sons, I