Multiconfigurational quantum chemical methods for molecular systems containing actinides

Gagliardi, Laura; Roos, Björn O.

doi:10.1039/b601115m

Scientific article

Open access

English

Multiconfigurational quantum chemical methods for molecular systems containing actinides

ContributorsGagliardi, Laura; Roos, Björn O.

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.

Affiliation

Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

Research group

Groupe Gagliardi

Citation (ISO format)

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

Article (Published version)

Identifiers

PID : unige:3602
DOI : 10.1039/b601115m
PMID : 17534476

Commercial URLhttp://www.rsc.org/ej/CS/2007/b601115m.pdf

ISSN of the journal0306-0012

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Multiconfigurational quantum chemical methods for molecular systems containing actinides

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