COMPUTATIONAL STUDY OF THE STRUCTURE OF DINITRAMINIC ACID, HN(NO2)(2), AND THE ENERGETICS OF SOME POSSIBLE DECOMPOSITION STEPS
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abstract
MP2/6-31G* geometric optimizations combined with non-local density functional energy calculations were used to determine the structure of dinitraminic acid, HN(NO2)2, and the energetics of several processes that may be involved in its decomposition. These include bond cleavage and also fragmentation induced by protonation. 1993.