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Hydride Transfer versus Deprotonation Kinetics in the Isobutane–Propene Alkylation Reaction: A Computational Study
[Image: see text] The alkylation of isobutane with light alkenes plays an essential role in modern petrochemical processes for the production of high-octane gasoline. In this study we have employed periodic DFT calculations combined with microkinetic simulations to investigate the complex reaction m...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | ACS Catal |
|---|---|
| Prif Awduron: | , , , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
American Chemical Society
2017
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| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5716443/ https://ncbi.nlm.nih.gov/pubmed/29226012 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscatal.7b02877 |
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