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Application of one-dimensional semiclassical transition state theory to the CH(3)OH + H ⇌ CH(2)OH/CH(3)O + H(2) reactions
The rate constants of the two branches of H-abstractions from CH(3)OH by the H-atom and the corresponding reactions in the 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 s...
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| Udgivet i: | Philos Trans A Math Phys Eng Sci |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
The Royal Society Publishing
2018
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5805916/ https://ncbi.nlm.nih.gov/pubmed/29431675 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rsta.2017.0147 |
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