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Celine Chizallet

affiliation not provided to SSRN

  • affiliation not provided to SSRN

SCHOLARLY PAPERS

2

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94

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Scholarly Papers (2)

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1.

Linear versus branched products: how dynamical effects influence the transformations of isobutanol catalyzed by acidic zeolites

Number of pages: 35 Posted: 09 Sep 2025
Monika Gesvandtnerova, Celine Chizallet, Michael Badawi and Tomas Bucko
affiliation not provided to SSRN, affiliation not provided to SSRN, University of Lorraine and affiliation not provided to SSRN
Downloads 58 (989,921)

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acidic zeolites, dehydration, isomerization, alcohol, biobutanol, molecular dynamics, free energy of activation, density functional theory

2.

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

Number of pages: 43 Posted: 30 Mar 2026
Tomas Bucko, Katarína Skladanová, Monika Gesvandtnerova, Celine Chizallet, Emeline Sola, Thomas Pigeon and Michael Badawi
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and University of Lorraine
Downloads 36 (1,318,317)

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