Optimized structures of the stationary points on the potential energy surface of the OH(2Π) + C2H4 reaction
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This Zip file contains the cartesian coordinates of optimized stationary points of the OH(<sup>2</sup>Π) + C<sub>2</sub>H<sub>4</sub> potential energy surface published in our article “OH(<sup>2</sup>Π) + C<sub>2</sub>H<sub>4</sub> Reaction: A Combined Crossed Molecular Beam and Theoretical Study” (P<em>hys. Chem. A</em> 2023, 127, 21, 4609–4623), that can be found in https://doi.org/10.1021/acs.jpca.2c08662. All calculations have been performed with Gaussian 09, Revision D.01. All structures have been optimized at B3LYP/aug-cc-pVTZ level of theory.
创建时间：
2023-08-25
