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

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

Kloditz, R.; Fichter, S.; Kaufmann, S.; Brunner, T. S.; Kaden, P.; Patzschke, M.; Stumpf, T.; Roesky, P. W.; Schmidt, M.; März, J.

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.

Keywords: actinides; NMR; DFT; QTAIM; NPA; coordination chemistry; transuranium

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Series of Tetravalent Actinide Amidinates: Structure … (Id 31531) has used this (Id 31654) publication of HZDR-primary research data

Reseach data in the HZDR data repository RODARE
Publication date: 2020-09-17
DOI: 10.14278/rodare.517

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