Multiconfigurational quantum chemical methods for molecular systems containing actinides.
Recent advances in computational actinide chemistry are reported in this tutorial review. Muticonfigurational quantum chemical methods have been employed to study the gas phase spectroscopy of small actinide molecules. Examples of actinide compounds studied in solution are also presented. Finally the multiple bond in the diuranium molecule and other diactinide compounds is described.
Gagliardi
Laura
L
Department of Physical Chemistry, Sciences II University of Geneva 30, Quai Ernest Ansermet, CH-1211 Geneva 4, Switzerland. Laura.Gagliardi@chiphy.unige.ch
Roos
Björn O
BO