| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394766 | Computational and Theoretical Chemistry | 2012 | 7 Pages |
Abstract
⺠Adsorption of formaldehyde on MgY zeolite is stable. ⺠The energy barrier of carbonyl-ene reaction between formaldehyde and propylene on MgY is lower than the bare system. ⺠MgY zeolite can successfully preserve formaldehyde and catalyze carbonyl-ene reaction. ⺠All calculation by DFT/ONIOM2.
Related Topics
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Physical and Theoretical Chemistry
Authors
Hui Fu, Shouwen Xie, Aiping Fu, Tianxu Ye,