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Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunneling.
Alecu IM, Zheng J, Papajak E, Yu T, Truhlar DG. Alecu IM, et al. Among authors: yu t. J Phys Chem A. 2012 Dec 20;116(50):12206-13. doi: 10.1021/jp308460y. Epub 2012 Dec 7. J Phys Chem A. 2012. PMID: 23151032
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