Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf
1 PublicationSeries 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.
Abstract
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
Related publications
- DOI: 10.1021/acs.inorgchem.0c01969 references this (Id 31654) publication
-
Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding …
ROBIS: 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 Closed access
DOI: 10.14278/rodare.517
Versions: 10.14278/rodare.518
Downloads
Permalink: https://www.hzdr.de/publications/Publ-31654
Years: 2023 2022 2021 2020 2019 2018 2017 2016 2015