The Limits of Molecular Dynamics Applied to Condensed-Phase Energetic Materials
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منابع مشابه
Decomposition of condensed phase energetic materials: interplay between uni- and bimolecular mechanisms.
Activation energy for the decomposition of explosives is a crucial parameter of performance. The dramatic suppression of activation energy in condensed phase decomposition of nitroaromatic explosives has been an unresolved issue for over a decade. We rationalize the reduction in activation energy as a result of a mechanistic change from unimolecular decomposition in the gas phase to a series of...
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