Reduction behavior of the early actinyl ions in aqueous solution

Authors
Vallet, V Maron, L Schimmelpfennig, B Leininger, T Teichteil, C Gropen, O Grenthe, I Wahlgren, U
Citation
V. Vallet et al., Reduction behavior of the early actinyl ions in aqueous solution, J PHYS CH A, 103(46), 1999, pp. 9285-9289
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
46
Year of publication
1999
Pages
9285 - 9289
Database
ISI
SICI code
1089-5639(19991118)103:46<9285:RBOTEA>2.0.ZU;2-L
Abstract
We investigate in this paper the reduction properties of:the early actinyl ions. Geometry optimization and reaction energies were calculated at the co rrelated level, using effective core potentials. In a second step we includ ed spin-orbit interaction calculated at the quasi-degenerate perturbation l evel. We report a general trend which is in agreement with experiment.