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DFT/BLYP/DNP method was employed to calculate the total energy of cyclotetramethylene tetranitramine (HMX) derivatives modified with amido groups and the bond dissociation energy of the weakest N-NO2 bond. The bond dissociation energy decreases with the number of amido groups. Isodesmic reactions were used to calculate standard molar enthalpies of formation of the derivatives; these values increase...
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