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

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. ...

Bibliographic Details
Main Authors: Kloditz, Roger, Fichter, Sebastian, Kaufmann, Sebastian, Brunner, Tobias S., Kaden, Peter, Patzschke, Michael, Stumpf, Thorsten, Roesky, Peter W., Schmidt, Moritz, März, Juliane
Format: Dataset
Language:English
Published: Rodare 2020
Subjects:
actinides
NMR
DFT
QTAIM
NPA
coordination chemistry
transuranium
Orca
Online Access:https://dx.doi.org/10.14278/rodare.518
https://rodare.hzdr.de/record/518
Description
Summary: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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