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Published January 26, 2021 | Version public
Book Section - Chapter Metadata-only

Mechanisms for Heterogeneous Catalysis

Creators

  • 1. ROR icon California Institute of Technology

Contributors

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

Identifiers

Eprint ID
107754
Resolver ID
CaltechAUTHORS:20210127-075051440

Dates

Created
2021-01-27
Created from EPrint's datestamp field
Updated
2021-11-16
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Caltech Custom Metadata

Series Name
Springer Series in Materials Science
Series Volume or Issue Number
284
Other Numbering System Name
WAG
Other Numbering System Identifier
1458