Interaction of an alpha-Particle with TATB

2014-07-01
Türker, Burhan Lemi
Varis, Serhat
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.

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.