The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF62– and CeCl62–
JA Branson, PW Smith, DC Sergentu… - Journal of the …, 2024 - ACS Publications
The 4f orbitals of Ce (IV) have shown appreciably enhanced covalent mixing with ligand
orbitals relative to those of Ce (III). Here, X-ray spectroscopy, magnetic susceptibility …
orbitals relative to those of Ce (III). Here, X-ray spectroscopy, magnetic susceptibility …
Structural and Theoretical Assessment of Covalency in a Pu (III) Borohydride Complex
Despite the discovery of actinide borohydride complexes over 80 years ago, no plutonium
borohydride complexes have been structurally validated using single-crystal X-ray diffraction …
borohydride complexes have been structurally validated using single-crystal X-ray diffraction …
Electronic structure and chemical bond in MdO2
YA Teterin, MV Ryzhkov, AE Putkov… - Mendeleev …, 2024 - Elsevier
The calculation of the electronic structure of MdO 2 was carried out using the fully relativistic
method of discrete variation (RDV), a scheme of molecular orbitals (MO) was built and a …
method of discrete variation (RDV), a scheme of molecular orbitals (MO) was built and a …
Effective Actinide Ion Charges in AnO2 (An = Th‒Lr)
YA Teterin, AE Putkov, MV Ryzhkov, AY Teterin… - Russian Journal of …, 2024 - Springer
The electronic structure of AnO2 (An= Th‒Lr) and the structure of X-ray photoelectron
spectra of their valence electrons were calculated by the relativistic discrete variation …
spectra of their valence electrons were calculated by the relativistic discrete variation …