Published June 7, 2025
| Version v2
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Carbene-Catalyzed Intramolecular Cyclization to Access Inherently Chiral Saddle-Shaped Lactones: Achiral Bases Alternate Product Chirality
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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
"Carbene-Catalyzed Intramolecular Cyclization to Access Inherently Chiral Saddle-Shaped Lactones: Achiral Bases Alternate Product Chirality"
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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DFT_optimized_structures 2.zip
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(48.9 kB)
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