- Author
- Osmont, A. | Catoire, L. | Gokalp, I. | Yang, V.
- Title
- Ab Initio Quantum Chemical Predictions of Enthalpies of Formation, Heat Capacities and Entropies of Gas-Phase Energetic Compounds.
- Coporate
- aLCSR-CNRS, 1C, Avenue de la Recherche Scientifique, 45071 Orleans Cedex 2, France Orleans Univ., BP6749, 45067 Orleans Cedex 2, France Pennsylvania State Univ., University Park
- Journal
- Combustion and Flame, Vol. 150, No. 1/2, 262-273, October 2007
- Keywords
- explosives | propellants | thermochemical properties | thermochemistry | solid propellants | enthalpy | heat capacity | temperature range | validation | equations | statistical analysis | vapor phases
- Identifiers
- measured and calculated gas-phase standard enthalpies of formation; atomic corrections used in the present model; statistical analysis of the ab initio method used in this study