Theoretical Study of the Excited States and Luminescent Properties of (H2O)nUO2Cl2 (n = 1–3)
JJ Yang, Z Zhao, J Su - Inorganic Chemistry, 2023 - ACS Publications
The low-lying excited-state properties of the water-solvated UO2Cl2 complexes, ie,(H2O) n
UO2Cl2 (n= 1–3), below 33,000 cm–1, are investigated based on the ab initio NEVPT2 and …
UO2Cl2 (n= 1–3), below 33,000 cm–1, are investigated based on the ab initio NEVPT2 and …
Structure and bonding in crystalline cesium uranyl tetrachloride under pressure
HH Osman, P Pertierra, MA Salvadó… - Physical Chemistry …, 2016 - pubs.rsc.org
A thorough investigation of pressure effects on the structural properties of crystalline cesium
uranyl chloride was performed by means of first-principles calculations within the density …
uranyl chloride was performed by means of first-principles calculations within the density …