Supplementary material
收藏DataCite Commons2024-06-24 更新2024-07-13 收录
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https://aip.figshare.com/articles/dataset/Supplementary_material/25942846
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资源简介：
Nuclear coordinates for the optimized structures, basis set variation, Fourier coefficients of the potential curves and the 2D-PES, potential energy surface depending on the dihedral angles α1 and α2 calculated at the at the MP2/6-311++G(d,p) and B3LYP-D3BJ/6-311++G(d,p) levels of theory, and frequency list
提供机构：
AIP Publishing
创建时间：
2024-05-31
