遇见数据集

Organocatalytic Iminium-Assisted Asymmetric B(sp²)-to-B(sp³) Transformation

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Zenodo2025-09-03 更新2026-05-26 收录
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资源简介:

The folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Asymmetric Organocatalytic Nucleophilic Addition to B(sp2) for Direct Construction of Stereogenic B(sp3) Center" Where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, .., etc.

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Zenodo
创建时间:
2024-08-31
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