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Journal Article
Review
High-Level Spectroscopy, Quantum Chemistry, and Catalysis: Not just a Passing Fad.
Angewandte Chemie 2017 September 5
Quantum chemistry can be used as a powerful link between theory and experiment for studying reactions in all areas of catalysis. The key feature of this approach is the combination of quantum chemistry with a range of high-level spectroscopic methods. This allows for conclusions to be reached that neither theory nor experiment would have been able to obtain in isolation.
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