Nitro Derivatives of Parabanic Acid as Potential Explosives: A Theoretical Study

Autor: Lemi Türker, Serhat Varis
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