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Ab Initio Calculations of the N-N Bond Dissociation for the Gas-phase RDX and HMX
NO(2) fission is a vital factor for 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) decomposition. In this study, the geometry of the gas-phase RDX and HMX molecules was optimized, and the bond order and the bond dissociation energy of the N-N b...
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| Publicado en: | Sci Rep |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Nature Publishing Group
2017
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5240564/ https://ncbi.nlm.nih.gov/pubmed/28094774 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep40630 |
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