Advantages and drawbacks of the quantum chemistry methodology in predicting the thermochemical data of lanthanide trihalide molecules

Journal of Alloys and Compounds

Volumn 275-277, Issue , 1998, Pages 934-939

  Joubert, Laurent ^a   Picard, Gérard ^a   Legendre, Jean Jacques ^a  

^a PSL RESEARCH UNIVERSITY   (France)

Author keywords

Lanthanide trihalides; Quantum chemistry methodology

Indexed keywords

HALOGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY (DFT); LANTHANIDE TRIHALIDES; QUANTUM CHEMISTRY; VIBRATIONAL FREQUENCIES;

RARE EARTH COMPOUNDS;

EID: 0032120250     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0925-8388(98)00490-3     Document Type: Article

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