NTO-Picryl Constitutional Isomers-A DFT Study

2012-01-01
Türker, Burhan Lemi
Bayar, Caglar Celik
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The quantum chemical properties and the detonation performance of some new explosives, 5-nitro-4-picryl-2,4-dihydro-3H-1,2,4-triazol-3-one (class A) and 5-nitro-2picryl-2,4-dihydro-3H-1,2,4-triazol-3-one (class B), and their constitutional isomers have been investigated theoretically using the density functional theory (DFT) 6-31G(d,p) method.
Physics and Astronomy (miscellaneous)
https://hdl.handle.net/11511/51129
JOURNAL OF ENERGETIC MATERIALS
Department of Chemistry, Article

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Citation Formats
B. L. Türker and C. C. Bayar, “NTO-Picryl Constitutional Isomers-A DFT Study,” JOURNAL OF ENERGETIC MATERIALS, pp. 72–96, 2012, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51129.
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