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A theoretical study of AmO[n] and CmO[n] (n = 1, 2)

Published inPCCP. Physical chemistry chemical physics, vol. 10, no. 8, p. 1114-1117
Publication date2008
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).

Citation (ISO format)
KOVÁCS, Attila et al. A theoretical study of AmO[n] and CmO[n] (n = 1, 2). In: PCCP. Physical chemistry chemical physics, 2008, vol. 10, n° 8, p. 1114–1117. doi: 10.1039/b714853d
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Additional URL for this publicationhttp://www.rsc.org/ej/CP/2008/b714853d.pdf
Journal ISSN1463-9076
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