Charge-controlled activation of arenes
DFT calculations on the regioselective C-H activation of arenes through palladium catalysis.
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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-254
This dataset derived results are published in:
Manuscript title: Charge-Controlled Pd-Catalysis Enables the Meta-C-H Activation/Olefination of Arenes
- 62 RB3LYP
- 62 Gaussian