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glauconic_acid

This is a repository for the Glauconic Acid total synthesis project. The corresponding publication is: 10.1039/D4SC08332F

The repository contains the final stationary points that were used to calculate the Gibbs free energies for the reaction profiles in the form of XYZ files. It also contains the input geometries and the ORCA input files, as well as the code used for conformer clustering and the sample inputs for the CREST program.

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