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Title: Theoretical study of the reaction mechanism of boron atom with carbon dioxide
Journal: Chem. Phys. Lett.
Volume: 375
Page(s): 670 - 675
Year: 2003
Reference type: Journal article
Squib: 2003CHI/MEB670-675
Reaction:
CO2 + B → OBCO
Reaction order:
2
Rate expression:
no rate data available
Category: Theory
Data type:
Ab initio
Comments:
Results of ab initio and density functional G2M(MP2)//B3LYP/6-311+G(d) calculations have been carried out
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