Dataset Open Access

Data publication: Strong Binding of Noble Gases to [B₁₂X₁₁]⁻: a theoretical study

Wöhner, Kevin; Wulf, Toshiki; Vankova, Nina; Heine, Thomas

This dataset contains output files of DFT and DLPNO calculations of the investigated species. At the DFT level of theory full geometry optimizations and frequency analysis where done. At DLPNO level of theory single point calculations were done.

Files (1.0 GB)
Name Size
B12X11-.zip
md5:6e2e253d76701a87e45bd30018803145
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