Density Functional Theory Analysis of the Importance of Coordination Geometry for 5f36d1 versus 5f4 Electron Configurations in U(II) Complexes Article

Wedal, Justin C, Furche, Filipp, Evans, William J. (2021). Density Functional Theory Analysis of the Importance of Coordination Geometry for 5f36d1 versus 5f4 Electron Configurations in U(II) Complexes . INORGANIC CHEMISTRY, 60(21), 16316-16325. 10.1021/acs.inorgchem.1c02161

Open Access

cited authors

  • Wedal, Justin C; Furche, Filipp; Evans, William J

authors

publication date

  • November 1, 2021

published in

keywords

  • BASIS-SETS
  • Chemistry
  • Chemistry, Inorganic & Nuclear
  • H BOND ACTIVATION
  • HYDRIDE CHEMISTRY
  • MOLECULAR-COMPLEXES
  • OXIDATION-STATE
  • Physical Sciences
  • RARE-EARTH
  • REDUCTION
  • Science & Technology
  • TETRAMETHYLCYCLOPENTADIENYL LIGANDS
  • THORIUM
  • URANIUM

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 16316

end page

  • 16325

volume

  • 60

issue

  • 21