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

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Permalink: https://www.hzdr.de/publications/Publ-31654
Publ.-Id: 31654


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