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

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