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Comparative Study of Methanol Activation by Different Small Mixed Silicon Clusters Si(2)M with M = H, Li, Na, Cu, and Ag
[Image: see text] High-accuracy quantum chemical calculations were carried out to study the mechanisms and catalytic abilities of various mixed silicon species Si(2)M with M = H, Li, Na, Cu, and Ag toward the first step of methanol activation reaction. Standard heats of formation of these small tria...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641899/ https://www.ncbi.nlm.nih.gov/pubmed/31457748 http://dx.doi.org/10.1021/acsomega.7b00808 |