Issue 6, 2007
From the journal:

Chemical Society Reviews

Multiconfigurational quantum chemical methods for molecular systems containing actinides

Laura Gagliardia  and  Björn O. Roosb  

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

b Department of Theoretical Chemistry, Chemical Center, P.O.B. 124, S-221 00 Lund, Sweden
E-mail: bjorn.roos@teokem.lu.se

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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Article information

DOI
https://doi.org/10.1039/B601115M
Article type
Tutorial Review
Submitted
17 Nov 2006
First published
18 Jan 2007

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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