2008
DOI: 10.1016/j.chemphys.2007.11.020
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Molecular structure of 4-amino-1,2,4-triazol-5-one and a density-functional theoretical investigation of its dimers and crystal band structure

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Cited by 8 publications
(4 citation statements)
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“…3-nitro-1,2,4-triazol-5-one (NTO) is a kind of insensitive high-energy explosive with excellent comprehensive performance [ 28 , 29 ]. The more mature synthesis method of NTO is by nitration of TO(1,2,4-triazol-5-one), which is synthesized from semicarbazide hydrochloride and formic acid using condensation and cyclization reaction.…”
Section: Nitrification Of Azoles Nitrogen-rich Heterocyclic Energetic...mentioning
confidence: 99%
“…3-nitro-1,2,4-triazol-5-one (NTO) is a kind of insensitive high-energy explosive with excellent comprehensive performance [ 28 , 29 ]. The more mature synthesis method of NTO is by nitration of TO(1,2,4-triazol-5-one), which is synthesized from semicarbazide hydrochloride and formic acid using condensation and cyclization reaction.…”
Section: Nitrification Of Azoles Nitrogen-rich Heterocyclic Energetic...mentioning
confidence: 99%
“…Therefore, the calculated detonation velocities and detonation pressure are 7064 m/s and 21.1 GPa based on the calculated HOF and the determined crystal density of 1.670 g cm À3 [11] by X-ray diffraction analysis, respectively.…”
Section: Heat Of Formation and Detonation Propertiesmentioning
confidence: 99%
“…pyrazolones [30], betaketonitriles [31], cyclohexanediones [32,33]. On the other hand, 1,2,4-triazol-5-one system, bearing different substituents, has been a subject of extensive experimental and computational studies which were aimed to determine structural and spectral properties of respective derivatives [34][35][36][37][38][39][40].…”
Section: Introductionmentioning
confidence: 99%