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https://doi.org/10.1021/jp010464z
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Cite Journal: The Journal of Physical Chemistry A |  Publication Date: Jun 5, 2001 |
 Citations: 59 |
Affiliation: Columbia University
The stereochemical course of the thermal rearrangement of vinylcyclopropane to cyclopentene is computed using quasiclassical trajectories run on a modified AM1 potential parametrized to fit ab init...
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