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.

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B12X11-.zip
md5:6e2e253d76701a87e45bd30018803145 		1.0 GB Download
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Publication date:
November 4, 2021
DOI:
10.14278/rodare.1242

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10.14278/rodare.1242

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Keyword(s):
Boron Anions Complexation Cluster chemistry Group 17 compounds
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-33348
Referenced by:
https://www.hzdr.de/publications/Publ-32852
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License (for files):
Creative Commons Attribution 4.0 International

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Version 1 10.14278/rodare.1242 Nov 4, 2021
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