High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen

  1. Meana-Pañeda, R.
  2. Truhlar, D.G.
  3. Fernández-Ramos, A.
Journal:
Journal of Chemical Physics

ISSN: 0021-9606

Year of publication: 2011

Volume: 134

Issue: 9

Type: Article

DOI: 10.1063/1.3555763 GOOGLE SCHOLAR