A Theoretical Study of AmOn and CmOn (n = 1, 2)
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
KOVACS A.;
KONINGS Rudy;
RAAB J.;
GAGLIARDI L;
2008-04-18
ROYAL SOC CHEMISTRY
JRC44963
1463-9076,
https://publications.jrc.ec.europa.eu/repository/handle/JRC44963,
10.1039/b714853d,
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