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Relativistic Frozen Density Embedding calculations of solvent effects on the NMR shielding constants of transition metal nuclei - supplementary data

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Zenodo2021-06-01 更新2026-05-25 收录
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Supplementary data. In the directory <strong>calculations</strong>, we include two subdirectories: <strong>vac</strong> - which includes the data for the systems in vacuo, <strong>complexes</strong> - which includes the data for the complexes.<br> The names of nested subdirectories is self-explanatory.<br>

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2021-05-31
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