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- Journal Article
- A2
- open access
Computational modeling of the mobility, stability, and al positioning ability of cyclic cationic organic structure-directing agents in AEI Zeolite
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- Journal Article
- A2
- open access
Mobility and reactivity of Cu+ species in Cu-CHA catalysts under NH3-SCR-NOx reaction conditions : insights from AIMD simulations
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- Journal Article
- A1
- open access
Theoretical and spectroscopic evidence of the dynamic nature of copper active sites in Cu-CHA catalysts under selective catalytic reduction (NH3–SCR–NOx) conditions