Some Ions of TNAZ - A DFT Study

  • Lemi Türker Department of Chemistry, Middle East Technical University, Üniversiteler, Eskişehir Yolu No: 1, 06800 Çankaya/Ankara, Turkey
Keywords: TNAZ, 1,3,3-trinitroazetidine, explosive, ions, spark sensitivity


TNAZ is a thermally stable high energy explosive molecule. In the present study, some ionic forms of it have been investigated within the limitations of density functional theory at the level of UB3LYP/6-311++G(d,p). Various properties (including structural, electronic, spectral and quantum chemical) are obtained and discussed.


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How to Cite
Türker, L. (2021). Some Ions of TNAZ - A DFT Study. Earthline Journal of Chemical Sciences, 6(2), 215-228.