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Published March 2016 | Version public
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Detailed reaction mechanisms for heterogeneous catalysis

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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.

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© 2016 American Chemical Society.

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Eprint ID
65819
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CaltechAUTHORS:20160331-155552955

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http://www.acs.org/content/acs/en/meetings/spring-2016.html (URL)

Dates

Created
2016-03-31
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Updated
2020-03-09
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