Computational study on structure and properties of new energetic material 3,7-bis(dinitromethylene)-2,4,6,8-tetranitro-2,4,6,8-tetraaza-bicyclo[3.3.0]octaneThe IR spectrum, crystal structure, electronic structure, thermodynamic properties, heat of formation and detonation properties of a new polynitro heterocyclic energetic material 3,7-bis(dinitromethylene)-2,4,6,8-tetranitro-2,4,6,8-tetraazabicyclo[3.3.0]octane...
Theoretical studies on the heats of formation, detonation properties, and pyrolysis mechanisms of energetic cyclic nitramines... The detonation properties were evaluated by using the Kamlet–Jacobs equations based on the theoretical densities and HOFs....
Moleculardesign and property prediction of high densitypolynitro[3.3.3]-propellane-derivatized frameworks as potential highexplosives... As an effective and time-saving tool for screening potentialexplosive structures, computer simulation has been widely used forthe prediction of detonation properties of energetic molecules withrelatively high precision....
