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Directional Interactions of α‐Particles with FOX‐7. A DFT Study
Author(s) -
Türker Lemi
Publication year - 2015
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.201400178
Subject(s) - composite number , particle (ecology) , bond , particle system , nitro , materials science , crystallography , chemistry , composite material , computer science , organic chemistry , biology , business , alkyl , finance , operating system , ecology
FOX‐7 is exposed to the effects of α‐particles from selected directions of approach. Various energies and properties of these composite FOX‐7 systems (FOX‐7+α‐particle) are obtained. The effect of α‐particles on FOX‐7 is drastic. The CC double bond turns into a single bond and one of the CNO 2 bonds highly elongates. The approach from the side of amino groups results more stable composite system compared to the approach from the side of nitro groups.