Extensive theoretical studies of a new e
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Xinli Song; Jicun Li; Hua Hou; Baoshan Wang
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Article
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2009
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John Wiley and Sons
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English
⚖ 220 KB
## Abstract [1,2,3,4]Tetrazino‐[5,6‐e]‐[1,2,3,4]tetrazine‐[1,3,5,7]tetraoxide (TTTO, C~2~N~8~O~4~) was suggested to be a possible candidate of high energy density materials (HEDM). The most stable conformation of TTTO is a planar structure with C~2h~ symmetry. Using various high‐level __ab initio__