University of Chicago
......................................................................................................................... 6 Introduction .................................................................................................................... 7 Theory ............................................................................................................................ 9 Computational Details and Methodology .......................................................................... 13 Results and Discussion Gibbs Reaction Energies ...................................................................................... 16 Dipoles and First Hyperpolarizabilities ................................................................... 22 Gibbs Activation Energies and Thermal Half-Lives ................................................. 25 Wiberg Indices .................................................................................................... 29 Conclusions .................................................................................................................. 33 References .................................................................................................................... 34
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