TBD-sugar_chemistry
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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 "TBD-sugar_chemistry". For the convenience of .xyz file management and usage, “_prime” is used to represent ( ' ), and “a” and “b” are used to denote α and β, respectively.
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Zenodo创建时间：
2026-08-10
