Nitro Derivatives of Parabanic Acid as Potential Explosives: A Theoretical Study
Autor: | Lemi Türker, Serhat Varis |
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Rok vydání: | 2013 |
Předmět: | |
Zdroj: | Zeitschrift für anorganische und allgemeine Chemie. 640:208-212 |
ISSN: | 0044-2313 |
DOI: | 10.1002/zaac.201300332 |
Popis: | This work deals with certain parabanic acid (PA) derivatives because they possess great calculated density (1.8 g·cm -3 ) and high content of nitrogen (26%). Computed ballistic properties of eight dif- ferent parabanic acid derivatives are presented. The structures were optimized at the B3LYP/6-31G(d,p) level. The calculated data for PA |
Databáze: | OpenAIRE |
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