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Title: Consistent theoretical description of 1,3-dipolar cycloaddition reactions
Journal: J. Phys. Chem. A
Volume: 110
Page(s): 2583 - 2586
Year: 2006
Reference type: Journal article
Squib: 2006GRI/MUC2583-2586
Reaction:
HCNNH + C2H2 → Pyrazole
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. No rate constant values were calculated.
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