Multiconfigurational quantum chemical methods for molecular systems containing actinides

Laura Gagliardi, Björn O. Roos

Research output: Contribution to journalArticlepeer-review

129 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)893-903
Number of pages11
JournalChemical Society Reviews
Issue number6
StatePublished - May 29 2007

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