Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical Accuracy
Author:
Affiliation:
1. Institut für Chemie; Humboldt-Universität; Unter den Linden 6 10099 Berlin Germany
2. Department of Chemistry and Applied Biosciences; ETH Zurich; c/o USI Campus; Via Giuseppe Buffi 13 6900 Lugano, Ticino Switzerland
Funder
German Research Foundation (DFG)
Fonds der Chemischen Industrie
Publisher
Wiley
Subject
General Chemistry,Catalysis
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/anie.201601534/fullpdf
Reference28 articles.
1. Quantum Chemical Modeling of Zeolite-Catalyzed Methylation Reactions: Toward Chemical Accuracy for Barriers
2. First-Principles Theory for the H + CH 4 → H 2 + CH 3 Reaction
3. The Activated Complex in Chemical Reactions
4. Oxidation of Methanol to Formaldehyde on Supported Vanadium Oxide Catalysts Compared to Gas Phase Molecules
5. First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions
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