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Cited article:

Operando Modeling of Zeolite-Catalyzed Reactions Using First-Principles Molecular Dynamics Simulations

Veronique Van Speybroeck, Massimo Bocus, Pieter Cnudde and Louis Vanduyfhuys
ACS Catalysis 13 (17) 11455 (2023)

Achievements and Expectations in the Field of Computational Heterogeneous Catalysis in an Innovation Context

Céline Chizallet
Topics in Catalysis 65 (1-4) 69 (2022)

Unraveling Diffusion and Other Shape Selectivity Effects in ZSM5 Using n-Hexane Hydroconversion Single-Event Microkinetics

B. D. Vandegehuchte, J. W. Thybaut and G. B. Marin
Industrial & Engineering Chemistry Research 53 (40) 15333 (2014)