Published January 26, 2021
| public
Book Section - Chapter
Mechanisms for Heterogeneous Catalysis
Chicago
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Abstract
The Goddard group was the first to apply ab initio QM to determining the mechanisms of complex heterogeneous catalysts. Particular emphasis has been on activation of propane, propene, and butane also ammoxiation to acrylonitral and N2 reducton to NH₃. Since then we have used QM to discover the reaction mechanisms for many practical heterogeneous catalysts for butane to maleic anhydride, ammoxidation, and N2 reduction (Haber Bosch).
Additional Information
© Springer Nature Switzerland AG 2021. First Online: 26 January 2021.Additional details
- Eprint ID
- 107754
- Resolver ID
- CaltechAUTHORS:20210127-075051440
- Created
-
2021-01-27Created from EPrint's datestamp field
- Updated
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2021-11-16Created from EPrint's last_modified field
- Series Name
- Springer Series in Materials Science
- Series Volume or Issue Number
- 284
- Other Numbering System Name
- WAG
- Other Numbering System Identifier
- 1458