Ab initio kinetics for decomposition/isomerization reactions of C ₂H₅O radicals

Keyphrases

• Isomerization Reaction 100%
• Ab Initio Kinetics 100%
• Reaction Pathway 50%
• Temperature Range 50%
• Ethoxy 50%
• Potential Energy Surface 50%
• Isomerization 50%
• B3LYP 50%
• Isomeric 50%
• Heat of Formation 50%
• Rice-Ramsperger-Kassel-Marcus 50%
• Marcus Theory 50%
• CCSD(T) 50%
• Modified Gaussian 50%
• Transition State Theory 50%
• Microcanonical 50%
• Decomposition Reaction 50%
• Unimolecular 50%
• Varying Pressure 50%
• Hydroxyethyl 50%
• 1-hydroxyethyl Radical 50%
• Detailed Reaction 50%

Chemistry

• Isomerization 100%
• Rate Constant 66%
• Potential Energy Surface 33%
• Gaussian Distribution 33%
• DFT-B3LYP Calculation 33%
• Ground State 33%
• Enthalpy of Formation 33%
• CCSD 33%
• Transition State Theory 33%
• Chemical Decomposition 33%