COMPUTATIONAL STUDY OF THE STRUCTURE OF DINITRAMINIC ACID, HN(NO2)(2), AND THE ENERGETICS OF SOME POSSIBLE DECOMPOSITION STEPS Academic Article uri icon

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.

published proceedings

  • CHEMICAL PHYSICS LETTERS

author list (cited authors)

  • POLITZER, P., & SEMINARIO, J. M.

citation count

  • 46

publication date

  • December 1993