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

Name: Data publication: Strong Binding of Noble Gases to [B₁₂X₁₁]⁻: a theoretical s...
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B2FIND2026-04-25 收录

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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...