A theoretical study of the HCHO+CCI[sub 2] reaction: Cycloaddition or ylide formation?

Pliego Jr., Josefredo R.; De Almeida, Wagner B
March 1997
Journal of Chemical Physics;3/1/1997, Vol. 106 Issue 9, p3582
Academic Journal
Studies the chemical reaction between HCHO and CCI using a high level of theory. Performance of geometry optimizations; Performance of single cluster calculations using the coupled-cluster; Reaction and activation energies; Existence of the ylide as a stable species having a transient character.


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