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Detailed reaction mechanisms for heterogeneous catalysis

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.

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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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URLURL TypeDescription Website
Goddard, William0000-0003-0097-5716
An, Qi0000-0003-4838-6232
Cheng, Mujeng0000-0002-8121-0485
Qian, Jin0000-0002-0162-0477
Additional Information:© 2016 American Chemical Society.
Record Number:CaltechAUTHORS:20160331-155552955
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:65819
Deposited By: Tony Diaz
Deposited On:31 Mar 2016 23:03
Last Modified:09 Mar 2020 13:19

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