Ab initio quantum chemical predictions of enthalpies of formation, heat capacities, and entropies of gas-phase energetic compounds

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https://hal.archives-ouvertes.fr/hal-01221102
Contributor : Laurent Catoire <>
Submitted on : Tuesday, October 27, 2015 - 2:19:48 PM
Last modification on : Wednesday, March 20, 2019 - 1:20:20 AM

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Antoine Osmont, L. Catoire, Iskender Gökalp, Vigor Yang. Ab initio quantum chemical predictions of enthalpies of formation, heat capacities, and entropies of gas-phase energetic compounds. Combustion and Flame, Elsevier, 2007, 151 (1-2), ⟨10.1016/j.combustflame.2007.05.001⟩. ⟨hal-01221102⟩

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