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dc.contributor.authorKOVACS ATTILAen_GB
dc.date.accessioned2017-01-20T01:50:48Z-
dc.date.available2017-01-18en_GB
dc.date.available2017-01-20T01:50:48Z-
dc.date.created2017-01-16en_GB
dc.date.issued2017en_GB
dc.date.submitted2016-06-29en_GB
dc.identifier.citationJOURNAL OF MOLECULAR STRUCTURE vol. 1132 p. 95-101en_GB
dc.identifier.issn0022-2860en_GB
dc.identifier.urihttp://dx.doi.org/10.1016/j.molstruc.2016.09.065en_GB
dc.identifier.urihttp://publications.jrc.ec.europa.eu/repository/handle/JRC102376-
dc.description.abstractMultireference 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.en_GB
dc.description.sponsorshipJRC.G.I.5-Advanced Nuclear Knowledgeen_GB
dc.format.mediumPrinteden_GB
dc.languageENGen_GB
dc.publisherELSEVIER SCIENCE BVen_GB
dc.relation.ispartofseriesJRC102376en_GB
dc.titleElectronic structure and spectroscopic properties of mixed sodium actinide oxides Na2AnO4 (An = U, Np, Pu, Am)en_GB
dc.typeArticles in periodicals and booksen_GB
dc.identifier.doi10.1016/j.molstruc.2016.09.065en_GB
JRC Directorate:Nuclear Safety and Security

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