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Computational dataset for "Enantioconvergent alkylation of boron-stabilized organomagnesiums with unactivated alkyl halides using nickel catalysis"

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Zenodo2026-05-15 更新2026-05-26 收录
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Computational dataset accompanying "Enantioconvergent alkylation of boron-stabilized organomagnesiums with unactivated alkyl halides using nickel catalysis", calculated using Gaussian16; M06/SDD/6-311++G(d,p)//B3LYP-D3/SDD/6-31G(d,p) level with SMD(THF) implicit solvation at 273.15 K. A detailed description of each Gaussian output file is provided in File_list.xlsx.

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Zenodo
创建时间:
2026-05-15
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