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Author(s):   Lu, X.; Wang, Y.
Title:   Theoretical studies on mechanisms of cycloaddition reaction between dichlorovinylidene and formaldehyde: Concerted and stepwise?
Journal:   J. Phys. Chem. A
Volume:   107
Page(s):   7885 - 7890
Year:   2003
Reference type:   Journal article
Squib:   2003LU/WAN7885-7890

Reaction:   dichlorovinylidene + CH2O → cyc-(H2COC)=CCl2
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Study report calculations of the surface energy profile obtained with MP2/6-31G* and B3LYP/6-31G* methods for stationary structures and CCSD(T)//MP2 and CCSD(T)//B3LYP methods for energy correction.

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