TBD - Ag(I)-catalyzed annulation

This folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "<Ag(I)-catalyzed annulation title>"./DFT_optimized_structures/ 文件夹中存放着随附论文《<Ag(I)-catalyzed annulation title>》的经密度泛函理论（Density Functional Theory, DFT）优化的分子几何结构，此类文件以.xyz格式存储，并附带气相能量E。