DFT Modeling of Reaction Mechanism and Ab Initio Microkinetics of Catalytic N2O Decomposition over Alkaline Earth Oxides: From Molecular Orbital Picture Account to Simulation of Transient and Stationary Rate Profiles

Title
DFT Modeling of Reaction Mechanism and Ab Initio Microkinetics of Catalytic N2O Decomposition over Alkaline Earth Oxides: From Molecular Orbital Picture Account to Simulation of Transient and Stationary Rate Profiles
Authors
Keywords
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Journal
Journal of Physical Chemistry C
Volume 117, Issue 36, Pages 18488-18501
Publisher
American Chemical Society (ACS)
Online
2013-08-05
DOI
10.1021/jp405459g

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