Quasi-classical trajectory calculations using quantum mechanical energies and forces generated by the Venus and Gaussian programs, provide for the first time a detailed dynamical picture of 1,3-dipolar cycloadditions and carbene cycloadditions to alkenes on the (U)B3LYP/6-31G* surface. For 1,3-dipolar cycloaddtions, the previously reported linear correlation between activation barriers and the energy required to distort reactant to their TS geometries is understandable in terms of the requirements for vibrational excitation. The timing of bond formation and relative reactivities of different 1,3-dipoles are discussed. For carbene cycloadditions, the range of geometries sampled in productive trajectories, and the timing of bond formation were explored.

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