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Interaction of an alpha-Particle with TATB
Date
2014-07-01
Author
Türker, Burhan Lemi
Varis, Serhat
Metadata
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Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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Interaction of an alpha particle with triaminotrinitrobenzene (TATB) which is an insensitive explosive has been investigated by density functional calculations. It has been found that alpha-particles interact with TATB disturbing its planar geometry. As a result, the C-NO2 bond dissociation energies are substantially decreased, whereas detonation velocity and pressure values increased as compared to TATB. The quantum chemical properties of the structures are presented.
Subject Keywords
Inorganic Chemistry
URI
https://hdl.handle.net/11511/49512
Journal
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
DOI
https://doi.org/10.1002/zaac.201400104
Collections
Department of Chemistry, Article