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Density functional theory studies of Cu-zeolite de-NOx catalysts |
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| Authors: | K C Hass and W F Schneider |
| Affiliation: | (1) Ford Research Laboratory, Ford Motor Company, SRL MD/3028, 48121-2053 Dearborn, MI, USA |
| Abstract: | Summary Recent progress in the modelling of exchanged Cu sites and their interactions with small molecules, based on DFT cluster calculations, is briefly reviewed. |
| Keywords: | Zeolites Catalysts Ion exchange Density functional theory |
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