Molecular modeling of combustion kinetics. The abstraction of primary and secondary hydrogens by hydroxyl radical

Chemical Compounds

• Combustion Kinetics 100%
• Tunneling 61%
• Propane 57%
• Molecular Modeling 54%
• Transition State 49%
• Transition State Structure 38%
• Electron Correlation 35%
• Transition State Theory 35%
• Kinetic Isotope Effect 33%
• Reaction Rate Constant 32%
• Hydrogen 30%
• Carbon Atom 28%
• Hydroxyl 25%
• Electronic State 22%
• Simulation 19%
• Substitution Reaction 19%
• Environment 17%

Physics & Astronomy

• hydroxyl radicals 79%
• hydrogen 37%
• kinetics 36%
• propane 34%
• attack 32%
• reaction kinetics 27%
• carbon 20%
• isotope effect 16%
• substitutes 11%
• electronic structure 11%
• estimates 8%
• geometry 8%
• electrons 6%
• simulation 5%