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

Thermodynamic ModellingChemical ThermodynamicsEngineeringPhysicsNatural SciencesHeat CapacitiesPhysical ChemistryComputational ChemistryThermodynamicsQuantum ChemistryChemistryGas-phase Energetic CompoundsChemical KineticsAb-initio Method