journal article Mar 28, 2019

Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics

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Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study

Niels Hansen, Torsten Kerber, Joachim Sauer et al.

Journal of the American Chemical Society 10.1021/ja102261m

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