Title: Electronic structure and spectroscopic properties of mixed sodium actinide oxides Na2AnO4 (An = U, Np, Pu, Am)
Authors: KOVACS ATTILA
Citation: JOURNAL OF MOLECULAR STRUCTURE vol. 1132 p. 95-101
Publisher: ELSEVIER SCIENCE BV
Publication Year: 2017
JRC N°: JRC102376
ISSN: 0022-2860
URI: http://dx.doi.org/10.1016/j.molstruc.2016.09.065
http://publications.jrc.ec.europa.eu/repository/handle/JRC102376
DOI: 10.1016/j.molstruc.2016.09.065
Type: Articles in periodicals and books
Abstract: Multireference relativistic post-HF and DFT calculations have been performed on four Na2AnO4 (An = U, Np, Pu, Am) molecules. Beyond the electronic characteristics of the ground and excited electronic states, the molecular geometries and vibrational frequencies have been determined.
JRC Directorate:Nuclear Safety and Security

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