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Author(s):
Hu, S.W.; Lu, S.M.; Wang, X.Y.
Title:
Theoretical investigation of gas-phase thermal reactions between carbon monoxide and water
Journal:
J. Phys. Chem. A
Volume:
108
Page(s):
8485 - 8494
Year:
2004
Reference type:
Journal article
Squib:
2004HU/LU8485-8494
Reaction:
CO + H2O → CO2 + H2
Reaction order:
2
Rate expression:
no rate data available
Category: Theory
Data type:
Ab initio
Comments:
Reaction potential energy surface was studied using quantum chemistry. A number of reactive pathways leading to the products and intermediates involved were studied. No rate constants are reported.
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