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Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis.

Kloditz, Roger; Fichter, Sebastian; Kaufmann, Sebastian; Brunner, Tobias S.; Kaden, Peter; Patzschke, Michael; Stumpf, Thorsten; Roesky, Peter W.; Schmidt, Moritz; März, Juliane

NMR spectra for the complex series in the publication together with the xyz coordinates of the optimized complexes. An example input-file for ORCA v4.1.2 for the calculation of the wavefunction used for QTAIM is presented as well.

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Publication date:
September 17, 2020
DOI:
10.14278/rodare.518

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10.14278/rodare.518

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Keyword(s):
actinides NMR DFT QTAIM NPA coordination chemistry transuranium
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-31654
Referenced by:
https://www.hzdr.de/publications/Publ-31531
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