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Interplaying coordination and ligand effects to break or make adsorption‐energy scaling relations
The linear relations between adsorption energies are one of the cornerstones of contemporary catalysis in view of the simplicity and predictive power of the computational models built upon them. Despite their extensive use, the exact nature of scaling relations is not yet fully understood, and a com...
Autores principales: | Brito‐Ravicini, Alvaro, Calle‐Vallejo, Federico |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10191023/ https://www.ncbi.nlm.nih.gov/pubmed/37323882 http://dx.doi.org/10.1002/EXP.20210062 |
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