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Theoretical study on pyrolysis and sensitivity of energetic compounds. (2) Nitro derivatives of benzene

โœ Scribed by Fan Jianfen; Xiao Heming


Book ID
113258970
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
453 KB
Volume
365
Category
Article
ISSN
0166-1280

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Theoretical study on pyrolysis and sensi
โœ Jianfen Fan; Ziming Gu; Heming Xiao; Haishan Dong ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 184 KB ๐Ÿ‘ 1 views

The UHF-SCF-AM1 MO method was applied to the study of two kinds of pyrolysis reactions of six nitro derivatives of phenols (homolysis reaction by rupture of the C-NO 2 bond into radicals and isomerization reaction involving phenolic hydrogen transferring to oxygen on the NO 2 group). The molecular g