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We introduced 1,2,3,4-tetrazine-1,3-dioxide into the basic skeleton of FOX-7 together with amino, nitro, and N-oxide groups to design a new family of novel energetic compounds. Their detonation properties and impact sensitivity were evaluated. We designed their reasonable synthesis paths based on the systematic synthesis method. Then, we studied the reduction and oxidation abilities of the title compounds...
We constructed five novel cyclotetramethylene tetranitramine (HMX) derivatives based on the skeleton of HMX ring. The molecules were fully optimized at the B3LYP/6-311G (d) level. We designed isodesmic reactions to calculate their enthalpies of formation. Then, their heats of detonation, detonation velocities, and detonation pressures were calculated using the Kamlet-Jacobs equations on the theoretical...
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