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Supplementary information for the article: Isobutanol Dehydration Catalyzed by (100) Surface of Ferrierite: From Static DFT to Machine Learning Accelerated Molecular Dynamics

Fuente: Zenodo

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Bibliographic Details
Main Authors:	Skladanová, Katarína, Gešvandtnerová, Monika, Sola, Emeline, Chizallet, Céline, Pigeon, Thomas, Badawi, Michael, Bucko, Tomas
Format:	Recurso digital
Published:	Zenodo 2026
Subjects:	acidic zeolites dehydration isomerization alcohol biobutanol molecular dynamics free energy of activation density functional theory machine learning
Online Access:	Acceder al recurso
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