Modeling Complexes of the Uranyl Ion UO2L2n+: Binding Energies, Geometries, and Bonding Analysis
- 10 May 2003
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 107 (22) , 4515-4525
- https://doi.org/10.1021/jp027243t
Abstract
No abstract availableThis publication has 33 references indexed in Scilit:
- Ab initio study of bonding trends for f 0 actinide oxyfluoride speciesTheoretical Chemistry Accounts, 2001
- Theoretical Studies of the Properties and Solution Chemistry of AnO22+ and AnO2+ Aquo Complexes for An = U, Np, and PuThe Journal of Physical Chemistry A, 2000
- Importance of Charge Transfer and Polarization Effects for the Modeling of Uranyl−Cation ComplexesThe Journal of Physical Chemistry A, 2000
- Structure of Uranium(VI) in Strong Alkaline Solutions. A Combined Theoretical and Experimental InvestigationThe Journal of Physical Chemistry A, 1999
- Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2? (X=F, Cl, OH) and AnF6 (An=U, Np, Pu)Journal of Computational Chemistry, 1999
- Hydration of Actinyl(VI), MO2+ 2aq (M = U, Np, Pu). An NMR StudyRadiochimica Acta, 1998
- Infrared and Raman spectroscopic study of uranyl complexes: hydroxide and acetate derivatives in aqueous solutionVibrational Spectroscopy, 1998
- Investigation of Aquo and Chloro Complexes of UO22+, NpO2+, Np4+, and Pu3+ by X-ray Absorption Fine Structure SpectroscopyInorganic Chemistry, 1997
- Hydration of uranyl (UO22+) cation and its nitrate ion and 18-crown-6 adducts studied by molecular dynamics simulationsThe Journal of Physical Chemistry, 1993
- Structure of the hydrated dioxouranium(VI) ion in aqueous solution. An x-ray diffraction and proton NMR studyInorganic Chemistry, 1983