Semiempirical and density functional theory molecular modeling of brown coal chars with iron species and H2, CO formation

Energy and Fuels

Volumn 21, Issue 5, 2007, Pages 2531-2542

  Domazetis, George ^a   Raoarun, Monthida ^a   James, Bruce D ^a  

^a LA TROBE UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; DENSITY FUNCTIONAL THEORY; HYDROGEN; IRON; MOLECULAR MODELING; OPTIMIZATION;

HYDROGEN FORMATION; IRON SPECIES; SEMIEMPIRICAL OPTIMIZATION;

LIGNITE;

EID: 35348938517     PISSN: 08870624     EISSN: None     Source Type: Journal    
DOI: 10.1021/ef070129v     Document Type: Review

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