Optimizing the formula of rare earth-bearing materials: A computational chemistry investigation

International Journal of Quantum Chemistry

Volumn 107, Issue 3, 2007, Pages 712-721

  Bertolus, Marjorie ^a   Defranceschi, Mireille ^b  

^a IRFM   (France)

^b CEA SACLAY   (France)

Author keywords

Bonding analysis; Density functional theory; Minerals; Rare earth

Indexed keywords

COMPUTATIONAL METHODS; MINERALS; OXIDATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RADIOACTIVE ELEMENTS;

APATITES; BONDING ANALYSIS; COMPUTATIONAL INVESTIGATION;

RARE EARTH ELEMENTS;

EID: 33846267324     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21133     Document Type: Article

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