Covalency of Trivalent Actinide Ions with Different Donor Ligands: Do Density Functional and Multiconfigurational Wavefunction Calculations Corroborate the Observed “Breaks”?

Yu, Xiaojuan; Sergentu, Dumitru-Claudiu; Feng, Rulin; Autschbach, Jochen

doi:10.1021/acs.inorgchem.1c02374

Covalency of Trivalent Actinide Ions with Different Donor Ligands: Do Density Functional and Multiconfigurational Wavefunction Calculations Corroborate the Observed “Breaks”?

Journal Article · 06 November 2021 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.1c02374· OSTI ID:1977871

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Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260-3000, United States

Not provided.

Research Organization:: State Univ. of New York (SUNY), Albany, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0001136

OSTI ID:: 1977871

Journal Information:: Inorganic Chemistry, Vol. 60, Issue 23; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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