Dataset Open Access
Wöhner, Kevin; Wulf, Toshiki; Vankova, Nina; Heine, Thomas
{ "abstract": "<p>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.</p>", "id": "1242", "DOI": "10.14278/rodare.1242", "title": "Data publication: Strong Binding of Noble Gases to [B\u2081\u2082X\u2081\u2081]\u207b: a theoretical study", "issued": { "date-parts": [ [ 2021, 11, 4 ] ] }, "publisher": "Rodare", "type": "dataset", "author": [ { "family": "W\u00f6hner, Kevin" }, { "family": "Wulf, Toshiki" }, { "family": "Vankova, Nina" }, { "family": "Heine, Thomas" } ] }
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