Goddard, William and An, Qi and Cheng, Mujeng and Qian, Jin (2016) Detailed reaction mechanisms for heterogeneous catalysis. In: 251st American Chemical Society National Meeting & Exposition, March 13-17, 2016, San Diego, CA. https://resolver.caltech.edu/CaltechAUTHORS:20160331-155552955
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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.
| Item Type: | Conference or Workshop Item (Paper) | ||||||||||
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| Additional Information: | © 2016 American Chemical Society. | ||||||||||
| Record Number: | CaltechAUTHORS:20160331-155552955 | ||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20160331-155552955 | ||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||
| ID Code: | 65819 | ||||||||||
| Collection: | CaltechAUTHORS | ||||||||||
| Deposited By: | Tony Diaz | ||||||||||
| Deposited On: | 31 Mar 2016 23:03 | ||||||||||
| Last Modified: | 09 Mar 2020 13:19 |
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