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)...
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| Materiálatiipa: | Journal article |
| Almmustuhtton: |
Royal Society
2018
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