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Theoretical insights into C–H bond activation of methane by transition metal clusters: the role of anharmonic effects

In heterogeneous catalysis, the determination of active phases has been a long-standing challenge, as materials' properties change under operational conditions (i.e. temperature (T) and pressure (p) in an atmosphere of reactive molecules). As a first step towards materials design for methane ac...

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Detalles Bibliográficos
Autores principales: Bhumla, Preeti, Kumar, Manish, Bhattacharya, Saswata
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9417659/
https://www.ncbi.nlm.nih.gov/pubmed/36131731
http://dx.doi.org/10.1039/d0na00669f