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Multiconfigurational quantum chemical methods for molecular systems containing actinides

Laura Gagliardi, Björn Olof Roos

Chemical Society Reviews, 2007

142 citations

Abstract

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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