Hydrogen abstraction from n-butanol by the methyl radical: high level ab initio study of abstraction pathways and the importance of low energy rotational conformers

D. Katsikadakos, Y. Hardalupas, A. M. K. P. Taylor, P. A. Hunt
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp24074b
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