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Computational study of the structure of dinitraminic acid, HN(NO2)2, and the energetics of some possible decomposition steps

✍ Scribed by Peter Politzer; Jorge M. Seminario

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 341 KB
Volume: 216
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)90107-c

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✦ Synopsis

MP2/6-3 lG* geometric optimizations combined with non-local density functional energy calculations were used to determine the structure of dinitraminic acid, HN(N02)*, and the energetics of several processes that may be involved in its decomposition. These include bond cleavage and also fragmentation induced by protonation.

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