Group additivity values for the heat of formation of C2–C8 alkanes, alkyl hydroperoxides, and their radicals
Manik Kumer Ghosh, Sarah N. Elliott, Kieran P. Somers, Stephen J. Klippenstein, Henry J. Curran
Topics & Concepts
ChemistryRadicalAlkylAb initioStandard enthalpy of formationAdditive functionThermochemistryAb initio quantum chemistry methodsComputational chemistryAlkaneCombustionThermodynamicsPhysical chemistryMoleculeHydrocarbonOrganic chemistryMathematical analysisPhysicsMathematicsChemical Thermodynamics and Molecular StructureFree Radicals and AntioxidantsAdvanced Chemical Physics Studies