Supplemental Material
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下载链接：
https://aip.figshare.com/articles/dataset/Supplemental_Material/27122412/1
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资源简介：
Provided in the electronic supplementary material are the computational results obtained from the ORCA quantum chemical package containing the optimized potential energy minima geometries (in the form of molecular Cartesian coordinates), harmonic and the VPT2-based anharmonic vibrational frequency tables.
提供机构：
AIP Publishing
创建时间：
2024-10-15
