Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnOx clusters

Structural, energetic and kinetic database of catalytic reactions: Benzyl alcohol to benzaldehyde oxidation on MnOx clusters

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

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Bibliographic Details
Main Authors: Laura Gueci, Francesco Ferrante, Antonio Prestianni, Francesco Arena, Dario Duca
Format: Article
Language:English
Published: Elsevier 2021-10-01
Series:Data in Brief
Subjects:
MnOx
Oxidative–dehydrogenation
Deactivation
Remediation
DFT
Reaction kinetic
Online Access:http://www.sciencedirect.com/science/article/pii/S235234092100651X

Internet

http://www.sciencedirect.com/science/article/pii/S235234092100651X

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