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Carbon-nitrogen cages are the focus of much research due to their potential use as high energy density materials (HEDMs). Several such cage isomers of C 7 N 5 H 11 , created by modifying the most stable N 12 cage, were examined by performing theoretical calculations to evaluate their suitability as potential HEDMs. Calculations were carried out...
Density functional theory (DFT) methods have been applied to study the properties of series of N5+ salts. The thermal stabilities of the crystals are evaluated based on the reaction enthalpy (ΔH) and free energy change (∆G) of the salts when they dissociate into neutral products. The energy outputs of salts in explosion indicate that all N5+ salts yield large energy except for N5SbF6 and N5Sb2F11...
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