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Proton as the Simplest of All Catalysts for [2 + 2] Cycloadditions: DFT Study of Acid-Catalyzed Imine Metathesis

✍ Scribed by Burland, Matthew C.; Meyer, Tara Y.; Baik, Mu-Hyun


Book ID
121469072
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
365 KB
Volume
69
Category
Article
ISSN
0022-3263

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## Abstract DFT calculations were carried out to study the full catalytic cycle for the hydroformylation of propene, catalyzed by the heterobimetallic model catalyst __trans__‐Pt(H)(PH~3~)~2~(SnCl~3~). Before the study of the full catalytic cycle, the performance of six pure GGA, one GGA with inclu