First-principles calculations of PuO2±x

Science

Volumn 301, Issue 5632, 2003, Pages 498-501

  Petit, L ^a,b   Svane, A ^a   Szotek, Z ^c   Temmerman, W H ^c  

^a AARHUS UNIVERSITY   (Denmark)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECTS; ELECTRONIC STRUCTURE; ELECTRONS; OXIDES; QUANTUM THEORY; STOICHIOMETRY;

INTERSTITIAL SITES;

PLUTONIUM COMPOUNDS;

PLUTONIUM; PLUTONIUM DIOXIDE; UNCLASSIFIED DRUG;

OXIDATION; PLUTONIUM; STORAGE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ELECTRON TRANSPORT; MOLECULAR INTERACTION; OXIDATION; PRIORITY JOURNAL; QUANTUM MECHANICS; REACTION ANALYSIS; STOICHIOMETRY;

EID: 0041843795     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1086505     Document Type: Article

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19. Partially funded by the European Union Training and Mobility in Research and Research Training Networks (contracts: FMRX-CT98-0178 and HPRN-CT-2002-00295). Work supported by the Defense Advanced Research Project Agency and by the DOE Office of Science through Basic Energy Services/Division of Materials Science and Engineering under Contract No. DE-AC05-00OR22725 with UT-Battelle LLC.