A theoretical study of AmOn and CmOn (n = 1, 2).
نویسندگان
چکیده
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).
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عنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 10 8 شماره
صفحات -
تاریخ انتشار 2008