TBD - DNA amination
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资源简介：
This folder contains the xTB-optimized geometries (in .xyz format with their associated single point solvent-phase DFT energy in Hartrees) accompanying the paper "<amination title>". 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, ... Strucutres ending with _3c suffix are from 3-component reactions.
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Zenodo创建时间：
2025-08-15
