Application of One-Dimensional Semiclassical Transition State Theory to the CH3OH+H -> CH2OH/CH3O+H2 Reactions
The rate constants of the two branches of H-abstractions from CH3OH by H atom and the corresponding reactions in reverse direction are calculated using the one-dimensional semiclassical transition state theory (1D SCTST). In this method, only the reaction mode vibration of the transition state (TS)...
| Main Authors: | , |
|---|---|
| Format: | Journal article |
| Published: |
Royal Society
2018
|