Molybdenum Carbide Nanocatalysts at Work in the in Situ Environment: A Density Functional Tight-Binding and Quantum Mechanical/Molecular Mechanical Study.
Heterogeneous reactions catalyzed by transition-metal-containing nanoparticles represent a crucial type of reaction in chemical industry. Because of the existing gap in understanding heterogeneous catalysis between a cluster of a few atoms and a bulk model of periodic slabs, reactions catalyzed by t...
| Publicado en: | Journal of the American Chemical Society Vol. 137; no. 12; pp. 4249 - 4260 |
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| Autores principales: | , |
| Formato: | Artículo |
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American Chemical Society
4/1/2015
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| Acceso en línea: | Ver este registro en EBSCOhost |