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The heats of formation of TNAZ(1,3,3-trinitroazetidine) and related compounds have been calculated with the G3(MP2)//B3LYP model to give a mean absolute error of 0.85kcal/mol for 16 singlet species and 0.61kcal/mol for 12 free radical intermediates. These uncorrected errors are better than our previous B3LYP/6-31G(d,p)-based scheme that employed seven auxiliary parameters. The mean absolute deviation...
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