Title: A Theoretical Study of AmOn and CmOn (n = 1, 2)
Authors: KOVACS A.KONINGS RUDYRAAB J.GAGLIARDI L
Citation: PHYSICAL CHEMISTRY CHEMICAL PHYSICS vol. 10 p. 1114-1117
Publisher: ROYAL SOC CHEMISTRY
Publication Year: 2008
JRC N°: JRC44963
ISSN: 1463-9076
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC44963
DOI: 10.1039/b714853d
Type: Articles in Journals
Abstract: Americium and curium oxides AmOn and CmOn (n = 1, 2) were studied using state-of-the-art multiconfigurational, relativistic, quantum chemical methods. Spectroscopic properties for the ground state and several excited states of the four target compounds were determined. The computed dissociation energy of AmO (4.6 eV) agrees fairly well with estimates derived from experimental studies (5.73 0.37 eV) while the computed dissociation energy of CmO (7.1 eV) agrees well with the experimental value (7.5 eV). The computed ionization energy of AmO (6.3 eV) is in good agreement with the current experimental value (5.9 0.2 eV
JRC Institute:Institute for Transuranium Elements

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