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How Solvent Affects C–H Activation and Hydrogen Production Pathways in Homogeneous Ru-Catalyzed Methanol Dehydrogenation Reactions
[Image: see text] Insights into the mechanism of the catalytic cycle for methanol dehydrogenation catalyzed by a highly active PNP pincer ruthenium complex in methanol solvent are presented, using DFT-based molecular dynamics with an explicit description of the solvent, as well as static DFT calcula...
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| Publicado no: | ACS Catal |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2018
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6080862/ https://ncbi.nlm.nih.gov/pubmed/30101037 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscatal.8b01177 |
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