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

Physics & Astronomy

• ethyl alcohol 83%
• reaction kinetics 76%
• chemical reactions 76%
• coupled modes 22%
• molecules 12%
• hydroxyl radicals 10%
• reagents 8%
• saddle points 8%
• enzymes 8%
• hydrogen bonds 8%
• torsion 7%
• formulations 5%
• kinetics 4%
• configurations 4%

Chemical Compounds

• Transition State Theory 100%
• Ethanol 54%
• Transition State 26%
• Pseudorotation 14%
• Unimolecular Reaction 14%
• Bimolecular Reaction 13%
• Enzyme Kinetics 12%
• Radical Reaction 12%
• Torsion 10%
• Tunneling 10%
• Rate Constant 6%
• Hydrogen Bond 6%
• Surface 3%
• Application 3%