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Understanding the entanglement between diffusion and reaction by probing the mobility of ketene in chabazites
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Supporting data for "Formaldehyde-Mediated Initial Carbon–Carbon Bond Formation in Zeolite-Catalyzed Methanol-to-Hydrocarbons"
(2025) -
Supporting dataset for "Understanding the entanglement between diffusion and reaction by probing the mobility of ketene in chabazites"
(2025) -
- Journal Article
- A1
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The operando nature of isobutene adsorbed in Zeolite H‐SSZ‐13 unraveled by machine learning potentials beyond DFT accuracy
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Ab initio predictions of adsorption in flexible metal-organic frameworks for water harvesting applications
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MIL-91(Al) to boost solid-solid conversion reactions in Li-Se batteries
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Mesoporous acridinium-based covalent organic framework for long-lived charge-separated exciton mediated photocatalytic [4+2] annulation
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Totally conjugated and coplanar covalent organic frameworks as photocatalysts for water purification : reduction of Cr (VI) while oxidizing water borne organic pollutants
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Molecular basis of activity changes in acid catalysis within nanoconfined water
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- Journal Article
- A1
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Quantitative description of strongly correlated materials by combining downfolding techniques and tensor networks