Interpolated variational transition-state theory and semiclassical tunneling calculations of the rate constant of the reaction OH + C₂H₆ at 200-3000 K

Chemical Compounds

• Transition State Theory 95%
• Tunneling 82%
• Transition State 66%
• Electron Correlation Energy 54%
• Rate Constant 53%
• Perturbation Theory 47%
• Vibrational Frequency 39%
• Ab Initio Calculation 35%
• Energy 19%

Engineering & Materials Science

• Rate constants 100%
• Molecular orbitals 69%
• Vibrational spectra 64%
• Temperature 32%
• Geometry 24%
• Experiments 14%

Physics & Astronomy

• saddle points 30%
• molecular orbitals 26%
• perturbation theory 22%
• curvature 20%
• products 17%
• kinetics 16%
• temperature 15%
• energy 15%
• geometry 15%
• approximation 14%