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

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Semin Lee, Seungcheol Han, Joeun Choi, Seung Hwan Cho
DOI: 10.5281/zenodo.20136466
Cited by: 1

Abstract

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.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
16 May 2026
Document type
Dataset