Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls
Author:
Affiliation:
1. Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 Rehovot, Israel
Funder
Israel Science Foundation
Minerva Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c05124
Reference118 articles.
1. Efficient catalytic addition of aromatic carbon-hydrogen bonds to olefins
2. A Convenient FeCl3-Catalyzed Hydroarylation of Styrenes
3. C−H Bond Activation by Cationic Platinum(II) Complexes: Ligand Electronic and Steric Effects
4. Efficient Activation of Aromatic C-H Bonds for Addition to C-C Multiple Bonds
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