高级光谱学、量子化学与催化：不只是一时风尚。
High-Level Spectroscopy, Quantum Chemistry, and Catalysis: Not just a Passing Fad.
机构信息
Max Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, 45470, Mülheim an der Ruhr, Germany.
出版信息
Angew Chem Int Ed Engl. 2017 Sep 4;56(37):11003-11010. doi: 10.1002/anie.201701163. Epub 2017 Aug 11.
PMID:28799695
Abstract
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.
摘要
量子化学可以作为理论和实验之间的有力纽带，用于研究催化各个领域的反应。这种方法的关键特点是将量子化学与一系列高级光谱方法相结合。这使得能够得出仅凭理论或实验都无法得出的结论。
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