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High‐Level Spectroscopy, Quantum Chemistry, and Catalysis: Not just a Passing Fad
Author(s) -
Neese Frank
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201701163
Subject(s) - quantum chemistry , chemistry , catalysis , spectroscopy , range (aeronautics) , quantum , computational chemistry , nanotechnology , chemical physics , organic chemistry , quantum mechanics , materials science , physics , reaction mechanism , composite material
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.