Ab initio kinetic prediction of branching rate constants for reactions of H atoms with CH3O and CH2OH

Keyphrases

• Formaldehyde 100%
• H Atoms 100%
• Hydrogen Abstraction 100%
• Product Channel 100%
• Branching Rate 100%
• Abstraction Process 100%
• Kinetic Prediction 100%
• Ab Initio Kinetics 100%
• Methanol 50%
• Potential Energy Surface 50%
• Barrier-free 50%
• CCSD(T) 50%
• RRKM Theory 50%
• Ground Electronic State 50%
• Reaction Systems 50%
• Microcanonical 50%
• Association Reaction 50%
• Modelling Applications 50%
• Parameter Optimizing 50%
• Combustion Modeling 50%
• Geometric Parameters 50%
• Indirect Association 50%
• Methanol Molecule 50%
• CH2+ 50%

Chemistry

• Rate Constant 100%
• Hydrogen 33%
• Methanol 33%
• CCSD 33%
• Potential Energy Surface 16%
• Electronic State 16%
• Association Reaction 16%
• formation 16%