Prediction of experimentally unavailable product branching ratios for biofuel combustion: The role of anharmonicity in the reaction of isobutanol with OH

Chemical Compounds

• Isobutanol 77%
• Biofuel 62%
• Tunneling 38%
• Transition State 31%
• Rate Constant 24%
• Transition State Theory 22%
• Perturbation Theory 22%
• Reaction Rate Constant 20%
• Reaction Path 20%
• Hydrogen 19%
• Vibrational Frequency 18%

Medicine & Life Sciences

• isobutyl alcohol 100%
• Biofuels 80%
• Hydrogen 44%
• Hydroxyl Radical 41%
• Uncertainty 17%

Engineering & Materials Science

• Rate constants 70%
• Biofuels 64%
• Vibrational spectra 60%
• Hydrogen 30%
• Reaction rates 21%
• Sorting 18%
• Uncertainty 11%
• Experiments 6%