DNA Phosphates are Effective Catalysts for Asymmetric Ion-Pairing Catalysis in Water

<p>This folder contains the xTB-optimized geometries (in .xyz format) accompanying the paper</p> <p>"<span>DNA Phosphate: An Effective Catalyst for Asymmetric Ion-Pairing Catalysis in Water</span>".</p> <p>Where conformers occur, they are always named from the lowest single-point DFT energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...</p> <p>This folder contains the following subfolders:</p> <p>/Fluorination/ --&gt; xTB-optimized structures for fluorination reaction</p> <p>/Mannich_reaction/ --&gt; xTB-optimized structures for Mannich reaction</p>