Catalyst Control over S(IV)-stereogenicity via Carbene-derived Sulfinyl Azolium Intermediates
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This folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Catalyst Control over S(IV)-stereogenicity via Carbene-derived Sulfinyl Azolium Intermediates" where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...
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Zenodo创建时间：
2024-07-29
