Replication data for "Theoretical Study of the Arachidonic Acid Conversion in...

This Dataset contains the Cartesian coordinates file corresponding to the geometries optimized at the QM(B3LYP)/AMBER20 for the complete reaction mechanism (in pdb format) of...本数据集包含对应于采用QM(B3LYP)/AMBER20方法优化得到完整反应机理几何结构的笛卡尔坐标（Cartesian coordinates）文件，该文件采用pdb格式存储。