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Chemical Sciences Division
Mathey, F.; Le Floch, P.|
A theoretical study of the formation of phosphaacetylene by thermolysis of triallylphosphine
J. Org. Chem.
5100 - 5103
CH2=CHC≡P → C2H2 + HCP
no rate data available
The reaction was studied using calculations performed at the B3LYP 6-311+G(d,p) level of
theory for geometry optimizations, and single points were calculated at the higher B3LYP 6-311++G(3df,2p) level of energy.
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