A Combined Kinetic−Quantum Mechanical Model for Assessment of Catalytic Cycles: Application to Cross-Coupling and Heck Reactions
Author:
Affiliation:
1. Contribution from the Department of Organic Chemistry and The Lise Meitner-Minerva Center for Computational Quantum Chemistry, Givat Ram Campus, Jerusalem 91904, Israel
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja0559146
Reference35 articles.
1. What Makes for a Good Catalytic Cycle? A Theoretical Study of the Role of an Anionic Palladium(0) Complex in the Cross-Coupling of an Aryl Halide with an Anionic Nucleophile
2. The Palladium-Catalyzed Cross-Coupling Reaction of Carboxylic Anhydrides with Arylboronic Acids: A DFT Study
3. Boudart, M.Kinetics of Chemical Processes; Prentice-Hall Inc. Englewood Cliffs, NJ, 1968; pp 67−71.
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