The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods

Guoliang Li, Liqing Zhou, Qian-Shu Li, Yaoming Xie, Henry F. Schaefer
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp41555k