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Title
Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene.
Authors
Zimmermann, Tomáš; Vaníček, Jiří
Publication
Journal of Molecular Modeling, 2010, Vol 16, Issue 11, p1779