Tuesday, September 03, 2013

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

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The Journal of Physical Chemistry C

DOI: 10.1021/jp405459g




Witold Piskorz, Filip Zasada, Paweł Stelmachowski, Andrzej Kotarba and Zbigniew Sojka

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