Carbonic acid formation from reaction of carbon dioxide and water coordinated to Al(OH)3: A quantum chemical study

Journal of Physical Chemistry A

Volumn 114, Issue 6, 2010, Pages 2350-2356

  Baltrusaitis, Jonas ^a,b   Grassian, Vicki H ^a  

^a E11 SSH   (United States)

^b UNIVERSITY OF IOWA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CARBONIC ACIDS; CATALYTIC EFFECTS; CLUSTER MODELS; DENSITY FUNCTIONALS; ENERGY LANDSCAPE; GAS PHASE MOLECULES; GASPHASE; HIGH-ACTIVATION; METAL CENTERS; QUANTUM CHEMICAL STUDIES; REACTION MECHANISM;

ALUMINUM; CARBON DIOXIDE; HYDROXYLATION; ORGANIC ACIDS; QUANTUM CHEMISTRY;

COORDINATION REACTIONS;

ALUMINUM HYDROXIDE; CARBON DIOXIDE; CARBONIC ACID; WATER;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; GAS; QUANTUM THEORY; SYNTHESIS;

ALUMINUM HYDROXIDE; CARBON DIOXIDE; CARBONIC ACID; COMPUTER SIMULATION; GASES; QUANTUM THEORY; WATER;

EID: 77649168719     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp9097809     Document Type: Article

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