Published March 2016
| public
Conference Paper
Detailed reaction mechanisms for heterogeneous catalysis
- Creators
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Goddard, William
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An, Qi
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Cheng, Mujeng
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Qian, Jin
Abstract
We will report here first principles predictions (d. functional theory with periodic boundary conditions) of the structures, mechanisms, and acivation barriers for heterogeneous eactions selected from The selective oxidn. and ammoxidn. by MoVNbTeOx catalysts The Haber Bosch process on Fe.
Additional Information
© 2016 American Chemical Society.Additional details
- Eprint ID
- 65819
- Resolver ID
- CaltechAUTHORS:20160331-155552955
- Created
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2016-03-31Created from EPrint's datestamp field
- Updated
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2020-03-09Created from EPrint's last_modified field