Interaction of an alpha-Particle with TATB

Date

2014-07-01

Author

Türker, Burhan Lemi
Varis, Serhat

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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

Citation Formats

B. L. Türker and S. Varis, “Interaction of an alpha-Particle with TATB,” ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, vol. 640, pp. 1727–1731, 2014, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/49512.