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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

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