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Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic Models
[Image: see text] This Perspective aims at providing a road map to computational heterogeneous photocatalysis highlighting the knowledge needed to boost the design of efficient photocatalysts. A plausible computational framework is suggested focusing on static and dynamic properties of the relevant...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10123813/ https://www.ncbi.nlm.nih.gov/pubmed/37042213 http://dx.doi.org/10.1021/acs.jpclett.3c00359 |