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Unraveling the nature of adsorbed isobutene in H-SSZ-13 with operando simulations at the top of Jacob’s ladder

By Mohammud Bocus and others at
LogoGhent University
and
LogoUniversiteit Gent
Unraveling the nature of adsorbed olefins in zeolites is crucial to understand numerous zeolite-catalyzed processes. A well-grounded theoretical description critically depends on both an accurate determination of the potential energy surface (PES) and a reliable account of entropic effects at operating conditions. Herein, we propose a transfer learning approach to... Show more
July 10, 2024
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Unraveling the nature of adsorbed isobutene in H-SSZ-13 with operando simulations at the top of Jacob’s ladder
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