المؤلفون: Yumiao Ma (6008756), Aqeel A. Hussein (8354247), Zhaohong Wang (11840588)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Pharmacology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, ∼ 5 kcal, oxidative addition steps, nitrogen heterocyclic carbene, successful ligand developments, reported nakao ’, key aryl ring, significantly lower barrier, nakao ’, transition state, systematically explore, substituent effect, space interaction, rich ring, resting state, recently gained, predictive manner, palladium center, overall effect, often ignored, nitro group, moderate dipole, ligands exhibit, improve ligands, gas phase

Relation: https://figshare.com/articles/journal_contribution/Boosting_Palladium-Catalyzed_Aryl_Nitro_Bond_Activation_Reaction_by_Understanding_the_Electronic_Electrostatic_and_Polarization_Effect_A_Computational_Study_from_a_Basic_Understanding_to_Ligand_Design/17207489

الاتاحة: https://doi.org/10.1021/acs.joc.1c02536.s001