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A new method is introduced to correlate the condensed phase enthalpies of formation of nitroaromatic compounds with their gas phase enthalpies of formation on the basis of the B3LYP/6-31G* and PM3 methods. For the B3LYP method, the condensed phase enthalpy of formation depends on the number of certain elements, nitro groups and aromatic rings. For the PM3 method the number of N=N or N≡N groups, and...
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