The primary kinetic isotope effect for the [1,5] sigmatropic rearrangement reaction of cis-1,3-pentadiene is studied by the direct dynamics method.
Revised: January 14, 2020 |
Published: March 1, 1993
Liu Y.P., G.C. Lynch, T.N. Truong, D. Lu, D.G. Truhlar, and B.C. Garrett. 1993.Molecular Modeling of the Kinetic Isotope Effect for the [1,5]-Sigmatropic Rearrangement of cis-1, 3-Pentadiene.Journal of the American Chemical Society 115, no. 6:2408-2415.PNNL-SA-21807.doi:10.1021/ja00059a041