Asymmetric Synthesis of S(IV)-Stereogenic Sulfinimidate Esters by Sulfinamide Activation
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下载链接：
https://zenodo.org/record/13941542
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资源简介：
This folder contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper
"Asymmetric Synthesis of S(IV)-Stereogenic Sulfinimidate Esters by Sulfinamide Activation"
Where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...
The following are subfolders
/gas_phase/ -- DFT structures in the gas phase optimization (main methodology used in the paper)
/solv_phase/ -- DFT structures in the solvation phase optimization (for the study of ammonium intermediate formation step)
创建时间：
2025-03-13
