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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Detalles Bibliográficos
Autores principales: Liu, Lin-lin, Liu, Pei-jin, Hu, Song-qi, He, Guo-qiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5240564/
https://www.ncbi.nlm.nih.gov/pubmed/28094774
http://dx.doi.org/10.1038/srep40630

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5240564/
https://www.ncbi.nlm.nih.gov/pubmed/28094774
http://dx.doi.org/10.1038/srep40630

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