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. [electronic resource]
- Physical chemistry chemical physics : PCCP Jul 2012
- 9615-29 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1463-9084
10.1039/c2cp24074b doi
1-Butanol--chemistry Hydrogen--chemistry Methane--analogs & derivatives Molecular Conformation Temperature Thermodynamics