November 4, 2021 Dataset Open Access

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

DCAT Export

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        <foaf:name>Wulf, Toshiki</foaf:name>
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    <dct:title>Data publication: Strong Binding of Noble Gases to [B₁₂X₁₁]⁻: a theoretical study</dct:title>
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    <dcat:keyword>Boron</dcat:keyword>
    <dcat:keyword>Anions</dcat:keyword>
    <dcat:keyword>Complexation</dcat:keyword>
    <dcat:keyword>Cluster chemistry</dcat:keyword>
    <dcat:keyword>Group 17 compounds</dcat:keyword>
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    <dct:description>&lt;p&gt;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.&lt;/p&gt;</dct:description>
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