Computational Synthesis Methodology

Boosting Palladium Catalyzed Aryl–Nitro Bond Activation Reaction by Understanding the Electronic, Electrostatic and Polarization Effect: A Computational Study from Basic Understanding to Ligand Design

Significantly accelerating the barrier of a cross coupling reaction by simple ligand design.

Partner effect in accelerating pincer-co catalyzed nitrile hydroboration reactions†

The Partner Strategy: tuning the catalytic behavior with an additive that reversibly binds the ligand during the catalytic cycle.