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|Title:||A Theoretical Study of AmOn and CmOn (n = 1, 2)|
|Authors:||KOVACS A.; KONINGS RUDY; RAAB J.; GAGLIARDI L|
|Citation:||PHYSICAL CHEMISTRY CHEMICAL PHYSICS vol. 10 p. 1114-1117|
|Publisher:||ROYAL SOC CHEMISTRY|
|Type:||Articles in periodicals and books|
|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 Directorate:||Nuclear Safety and Security|
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