Modular divergent arene functionalization via regioselective differential 1,2-diborylation

dataset

posted on 2025-05-04, 12:47 authored by Jingfeng HuoJingfeng Huo, Yue FuYue Fu, Melody Tang, YA Su, Shengkun Hu, Peng Liu, Guangbin Dong

Computational output files of the structure optimization, frequency and single point calculations

Funding

R01GM124414

Computational Models for Reactivity and Selectivity in Catalytic Olefin Functionalization

National Institute of General Medical Sciences

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OAC-2117681

OAC-2138259

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Categories

Organic chemical synthesis

Keywords

Density functional theory Computational mechanistic study Gaussian output files

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