Theoretical investigation of water gas shift reaction catalyzed by iron group carbonyl complexes M(CO) 5 (M = Fe, Ru, Os)

Journal of Physical Chemistry A

Volumn 116, Issue 10, 2012, Pages 2529-2535

  Chen, Yu ^a,b   Zhang, Fuli ^a,b   Xu, Chunming ^a,b   Gao, Jinsen ^a,b   Zhai, Dong ^a,b   Zhao, Zhen ^a,b  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CARBONYL COMPLEXES; CO-GROUP; CONCERTED MECHANISM; DIHYDRIDES; DIHYDROGEN COMPLEXES; EXPERIMENTAL DATA; IRON GROUP; REACTION CYCLES; THEORETICAL INVESTIGATIONS; WATER GAS SHIFT (WGS) REACTION; WATER GAS SHIFT REACTION (WGSR);

CATALYSIS; CHEMICAL SHIFT; ENERGY BARRIERS; OSMIUM; RUTHENIUM; WATER GAS SHIFT;

IRON COMPOUNDS;

EID: 84863380424     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp204776a     Document Type: Article

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