Improved canonical and microcanonical variational transition state theory calculations for a polyatomic reaction: OH+H₂→H₂O+H

Keyphrases

• Canonical Variational Transition State Theory 100%
• Transition State Theory Calculations 100%
• Microcanonical 100%
• Polyatomic Reaction 100%
• Low Temperature 33%
• Quantum Mechanical Effects 33%
• Potential Energy Surface 33%
• Transition State 33%
• Variational 33%
• Temperature Range 33%
• Energy Dependence 33%
• Transition State Theory 33%
• Reaction Path Curvature 33%
• Ab Initio Potential Energy Surface 33%
• Canonical Variational Theory 33%

Chemistry

• Transition State Theory 100%
• Potential Energy Surface 50%
• Ground State 25%
• Transition State 25%
• Reaction Path 25%
• Rate Constant 25%