Ab initio molecular orbital study of Fe2Cl6 and FeAlCl6

Journal of Molecular Structure: THEOCHEM

Volumn 507, Issue 1-3, 2000, Pages 245-251

  Scholz, G ^a   Curtiss, L A ^b  

^a HUMBOLDT UNIVERSITY   (Germany)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Ab initio study; Fe2Cl6; FeAlCl6

Indexed keywords

ALUMINUM CHLORIDE; FERRIC CHLORIDE;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; DIMERIZATION; ELECTRON DIFFRACTION; MOLECULAR DYNAMICS; THERMODYNAMICS; VIBRATION;

EID: 0034710299     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00402-9     Document Type: Article

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