Energetics of intermolecular HONO formation in condensed-phase octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)
نویسنده
چکیده
We present preliminary work on the formation of HONO in condensed-phase HMX for the three pure polymorphic phases. Our results show that the energetics of the intermolecular hydrogen transfer (to form HONO on an adjacent molecule) is more favorable in d-HMX than in a-HMX and b-HMX. The energetics of this intermolecular hydrogen transfer process follow the same trends of HMX sensitivity, where d-HMX is found to be more sensitive to explosion compared to b-HMX. 2003 Elsevier Science B.V. All rights reserved.
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