Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: Ethanol + OH reactions

Keyphrases

• Ethanol 100%
• Canonical Variational Transition State Theory 100%
• Chemical Reaction Rate 100%
• Multipath 100%
• Transition State 33%
• Complex Molecules 22%
• Reaction Rate 22%
• Multi-structural 22%
• Mode Coupling 22%
• Torsion 11%
• Small Molecules 11%
• High Temperature 11%
• Theory Method 11%
• Reaction Pathway 11%
• Enzyme Kinetics 11%
• Unimolecular Reaction 11%
• Variational 11%
• Pseudorotation 11%
• Thermal Rate Constant 11%
• Multidimensional Tunneling 11%
• Hydroxyl Radical 11%
• Radical Reactions 11%
• Configuration Space 11%
• Coupled Mode Theory 11%
• Structure Conformation 11%
• Dividing Surface 11%
• Tunneling Path 11%
• Quantitative Theory 11%
• Theory Formulation 11%
• Hydrogen Bonds (H-bonds) 11%
• Bimolecular Reaction 11%
• Small Ensemble 11%

Chemistry

• Transition State Theory 100%
• Transition State 33%
• Bimolecular Reaction 11%
• Reaction Path 11%
• Unimolecular Reaction 11%
• Rate Constant 11%
• Pseudorotation 11%
• Hydroxyl Radical 11%
• Enzyme Kinetics 11%
• Radical Reaction 11%
• Statistical Ensemble 11%
• Hydrogen Bond 11%