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: 2020
Subjects:
actinides
NMR
DFT
QTAIM
NPA
coordination chemistry
transuranium
Orca
Online Access:https://rodare.hzdr.de/record/518
https://doi.org/10.14278/rodare.518
id fthzdrdresdenrod:oai:rodare.hzdr.de:518
record_format openpolar
spelling fthzdrdresdenrod:oai:rodare.hzdr.de:518 2023-07-16T04:00:22+02:00 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 2020-09-17 https://rodare.hzdr.de/record/518 https://doi.org/10.14278/rodare.518 eng eng url:https://www.hzdr.de/publications/Publ-31654 url:https://www.hzdr.de/publications/Publ-31531 doi:10.14278/rodare.517 url:https://rodare.hzdr.de/communities/rodare https://rodare.hzdr.de/record/518 doi:10.14278/rodare.518 oai:rodare.hzdr.de:518 info:eu-repo/semantics/closedAccess actinides NMR DFT QTAIM NPA coordination chemistry transuranium info:eu-repo/semantics/other dataset 2020 fthzdrdresdenrod https://doi.org/10.14278/rodare.51810.14278/rodare.517 2023-06-28T10:37:27Z 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. Dataset Orca Rodare - Rossendorf Data Repository
institution Open Polar
collection Rodare - Rossendorf Data Repository
op_collection_id fthzdrdresdenrod
language English
topic actinides
NMR
DFT
QTAIM
NPA
coordination chemistry
transuranium
spellingShingle actinides
NMR
DFT
QTAIM
NPA
coordination chemistry
transuranium
Kloditz, Roger
Fichter, Sebastian
Kaufmann, Sebastian
Brunner, Tobias S.
Kaden, Peter
Patzschke, Michael
Stumpf, Thorsten
Roesky, Peter W.
Schmidt, Moritz
März, Juliane
Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis.
topic_facet actinides
NMR
DFT
QTAIM
NPA
coordination chemistry
transuranium
description 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.
format Dataset
author Kloditz, Roger
Fichter, Sebastian
Kaufmann, Sebastian
Brunner, Tobias S.
Kaden, Peter
Patzschke, Michael
Stumpf, Thorsten
Roesky, Peter W.
Schmidt, Moritz
März, Juliane
author_facet Kloditz, Roger
Fichter, Sebastian
Kaufmann, Sebastian
Brunner, Tobias S.
Kaden, Peter
Patzschke, Michael
Stumpf, Thorsten
Roesky, Peter W.
Schmidt, Moritz
März, Juliane
author_sort Kloditz, Roger
title Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis.
title_short Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis.
title_full Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis.
title_fullStr Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis.
title_full_unstemmed Series of Tetravalent Actinide Amidinates: Structure Determination and Bonding Analysis.
title_sort series of tetravalent actinide amidinates: structure determination and bonding analysis.
publishDate 2020
url https://rodare.hzdr.de/record/518
https://doi.org/10.14278/rodare.518
genre Orca
genre_facet Orca
op_relation url:https://www.hzdr.de/publications/Publ-31654
url:https://www.hzdr.de/publications/Publ-31531
doi:10.14278/rodare.517
url:https://rodare.hzdr.de/communities/rodare
https://rodare.hzdr.de/record/518
doi:10.14278/rodare.518
oai:rodare.hzdr.de:518
op_rights info:eu-repo/semantics/closedAccess
op_doi https://doi.org/10.14278/rodare.51810.14278/rodare.517
_version_ 1771549063234191360

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