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Multiconfigurational quantum chemical methods for molecular systems containing actinides

Published inChemical Society reviews, vol. 36, no. 6, p. 893-903
Publication date2007
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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GAGLIARDI, Laura, ROOS, Björn O. Multiconfigurational quantum chemical methods for molecular systems containing actinides. In: Chemical Society reviews, 2007, vol. 36, n° 6, p. 893–903. doi: 10.1039/b601115m
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Additional URL for this publicationhttp://www.rsc.org/ej/CS/2007/b601115m.pdf
Journal ISSN0306-0012
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