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Chem Soc Rev. 2007 Jun;36(6):893-903. Epub 2007 Jan 18.

Multiconfigurational quantum chemical methods for molecular systems containing actinides.

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  • 1Department of Physical Chemistry, Sciences II University of Geneva 30, Quai Ernest Ansermet, CH-1211 Geneva 4, Switzerland. Laura.Gagliardi@chiphy.unige.ch


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.

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