Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnO [Formula: see text] clusters

Data here reported are connected with the research article “Benzyl Alcohol to Benzaldehyde Oxidation on MnO [Formula: see text] Clusters: Unraveling Atomistic Features” Gueci et al. [1]. This work described and discussed structural and energetic results, calculated by Density Functional Theory (DFT)...

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Detalles Bibliográficos
Autores principales: Gueci, Laura, Ferrante, Francesco, Prestianni, Antonio, Arena, Francesco, Duca, Dario
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8449180/
https://www.ncbi.nlm.nih.gov/pubmed/34568529
http://dx.doi.org/10.1016/j.dib.2021.107369

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8449180/
https://www.ncbi.nlm.nih.gov/pubmed/34568529
http://dx.doi.org/10.1016/j.dib.2021.107369

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