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Issue 6, 2007
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Multiconfigurational quantum chemical methods for molecular systems containing actinides

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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.

Graphical abstract: Multiconfigurational quantum chemical methods for molecular systems containing actinides

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Publication details

The article was received on 17 Nov 2006 and first published on 18 Jan 2007


Article type: Tutorial Review
DOI: 10.1039/B601115M
Citation: Chem. Soc. Rev., 2007,36, 893-903
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    Multiconfigurational quantum chemical methods for molecular systems containing actinides

    L. Gagliardi and B. O. Roos, Chem. Soc. Rev., 2007, 36, 893
    DOI: 10.1039/B601115M

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