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
id ftdatacite:10.14278/rodare.518
record_format openpolar
spelling ftdatacite:10.14278/rodare.518 2023-08-27T04:11:25+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 https://dx.doi.org/10.14278/rodare.518 https://rodare.hzdr.de/record/518 en eng Rodare https://www.hzdr.de/publications/Publ-31654 https://www.hzdr.de/publications/Publ-31531 https://rodare.hzdr.de/communities/rodare https://www.hzdr.de/publications/Publ-31654 https://www.hzdr.de/publications/Publ-31531 https://dx.doi.org/10.14278/rodare.517 https://rodare.hzdr.de/communities/rodare Closed Access info:eu-repo/semantics/closedAccess actinides NMR DFT QTAIM NPA coordination chemistry transuranium dataset Dataset 2020 ftdatacite https://doi.org/10.14278/rodare.51810.14278/rodare.517 2023-08-07T14:24:23Z 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 DataCite Metadata Store (German National Library of Science and Technology)
institution Open Polar
collection DataCite Metadata Store (German National Library of Science and Technology)
op_collection_id ftdatacite
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. ...
publisher Rodare
publishDate 2020
url https://dx.doi.org/10.14278/rodare.518
https://rodare.hzdr.de/record/518
genre Orca
genre_facet Orca
op_relation https://www.hzdr.de/publications/Publ-31654
https://www.hzdr.de/publications/Publ-31531
https://rodare.hzdr.de/communities/rodare
https://www.hzdr.de/publications/Publ-31654
https://www.hzdr.de/publications/Publ-31531
https://dx.doi.org/10.14278/rodare.517
https://rodare.hzdr.de/communities/rodare
op_rights Closed Access
info:eu-repo/semantics/closedAccess
op_doi https://doi.org/10.14278/rodare.51810.14278/rodare.517
_version_ 1775354179110305792

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