Optimized structures of the stationary points on the potential energy surface of the dissociation of the CH3OH˙+ cation (Q6725419)
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Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Optimized structures of the stationary points on the potential energy surface of the dissociation of the CH3OH˙+ cation |
Dataset published at Zenodo repository. |
Statements
This Zip file contains the optimizedstationary points structures of the potential energy surface (PES) for the dissociation of the CH3OH˙+ cation. The PEShas been published in our paper Fragmentation of interstellar methanol by collisions with He˙+: an experimental and computational study (Phys. Chem. Chem. Phys., 2022, 24, 22437-22452), that can be found inhttps://doi.org/10.1039/D2CP02458F . All calculations have been performed withGaussian 09, Revision D.01 and thestructures wereoptimizedat B97X-D/aug-cc-pVTZlevel of theory.
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31 August 2023
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Version 1
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