Density Functional Theory Analysis of the Importance of Coordination Geometry for 5f

Journal

Inorganic chemistry
ISSN: 1520-510X
Titre abrégé: Inorg Chem
Pays: United States
ID NLM: 0366543

Informations de publication

Date de publication:
01 Nov 2021
Historique:
pubmed: 14 10 2021
medline: 14 10 2021
entrez: 13 10 2021
Statut: ppublish

Résumé

Density functional theory (DFT) calculations on four known and seven hypothetical U(II) complexes indicate the importance of coordination geometry in favoring 5f

Identifiants

DOI: 10.1021/acs.inorgchem.1c02161 PMID: 34644069
pubmed: 34644069
doi: 10.1021/acs.inorgchem.1c02161
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

16316-16325

Auteurs

Justin C Wedal (JC)

Department of Chemistry, University of California, Irvine, California 92697-2025, United States.
ORCID: 0000-0003-0437-8601

Filipp Furche (F)

Department of Chemistry, University of California, Irvine, California 92697-2025, United States.
ORCID: 0000-0001-8520-3971

William J Evans (WJ)

Department of Chemistry, University of California, Irvine, California 92697-2025, United States.
ORCID: 0000-0002-0651-418X

Classifications MeSH