Kinetics of the Hydrogen Abstraction Reaction from 2-Butanol by OH Radical

Keyphrases

• Reaction Pathway 100%
• Hydrogen Abstraction 100%
• Reaction Rate 100%
• OH Radical 100%
• 2-Butanol 100%
• Hydrogen Abstraction Reaction 100%
• Canonical Variational Transition State Theory 50%
• Path Dependence 50%
• Barrier Height 50%
• Multipath 50%
• C1-C2 50%
• Electronic Structure Calculations 50%
• Branching Fraction 50%
• Reaction Barrier Heights 50%
• Direct Dynamics 50%
• Anharmonicity 50%
• C3-C4 50%
• C2-C3 50%
• Transition Structure 50%
• High-frequency Mode 50%
• Overall Reaction 50%
• Multiple Reactions 50%
• Inverse Order 50%
• Small Curvature Tunneling 50%
• Dynamic Basis 50%
• Hydroxyl Radical ([rad]OH) 50%
• Multistructural Torsional Anharmonicity 50%

Chemistry

• Chemical Kinetics Characteristics 100%
• Butene 100%
• Hydrogen 100%
• Reaction Path 66%
• Anharmonicity 66%
• Electronic State 33%
• Transition State Theory 33%
• Rate Constant 33%
• Hydroxyl Radical 33%