Optimized structures of selected stationary points on the potential energy surface of the HC3N + CN reaction (Q6725434)
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Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Optimized structures of selected stationary points on the potential energy surface of the HC3N + CN reaction |
Dataset published at Zenodo repository. |
Statements
This Zip file contains the cartesian coordinates of optimized stationary points ofthe HC3N + CNpotential energy surface published in our articleSemiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction (Molecules 2022, 27(7), 2297), that can be found inhttps://doi.org/10.3390/molecules27072297. All calculations have been performed with Gaussian 09, Revision D.01. All structures have been optimizedat M06-2X/6-311+G(d,p) level of theory.
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23 September 2023
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