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Study of the Glycerol Hydrogenolysis Reaction on Cu, Cu–Zn, and Cu–ZnO Clusters
[Image: see text] Quantum chemistry calculations have been performed to access the efficacy of Cu-based catalysts in various mechanistic steps of the glycerol hydrogenolysis reaction. Calculations are first performed for reactants in the gas phase (noncatalyzed system) and reactants in the gas phase...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9494640/ https://www.ncbi.nlm.nih.gov/pubmed/36157784 http://dx.doi.org/10.1021/acsomega.2c05342 |