Relativistic Frozen Density Embedding calculations of solvent effects on the NMR shielding constants of transition metal nuclei - supplementary data
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https://zenodo.org/record/4883728
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资源简介：
Supplementary data.
In the directory calculations, we include two subdirectories:
vac - which includes the data for the systems in vacuo,
complexes - which includes the data for the complexes.
The names of nested subdirectories is self-explanatory.
创建时间：
2021-06-01
