| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6528195 | Journal of Catalysis | 2012 | 8 Pages |
Abstract
⺠DFT calculations were used to model decomposition reactions of hydroperoxides. ⺠Results show that metal sites in Co-MOF and Cu-MOF are sterically shielded. ⺠Copper paddlewheels do not catalyze hydroperoxide decomposition. ⺠Surface metal sites on Cu-MOF appear to catalyze hydroperoxide decomposition.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Patrick Ryan, Ivan Konstantinov, Randall Q. Snurr, Linda J. Broadbelt,