AI Medical Compendium Journal:
Communications chemistry

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First-principles calculations of solid-phase enthalpy of formation of energetic materials.

Communications chemistry
The solid-phase enthalpy of formation (∆H) of energetic materials was generally predicted from the gas-phase enthalpy of formation (∆H) and sublimation enthalpy (∆H). Here, the standard ∆H of energetic materials is directly obtained from density func...