- 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