Cartesian coordinates of the atoms of all optimized structures, as well as the calculated values of the total electronic energy, enthalpy, Gibbs free energy, and entropy.
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| Format: | Recurso digital |
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Zenodo
2026
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| _version_ | 1866902026721427456 |
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| author | Dodonov, V.A. |
| author_facet | Dodonov, V.A. |
| contents | |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18385195 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Cartesian coordinates of the atoms of all optimized structures, as well as the calculated values of the total electronic energy, enthalpy, Gibbs free energy, and entropy. Dodonov, V.A. |
| title | Cartesian coordinates of the atoms of all optimized structures, as well as the calculated values of the total electronic energy, enthalpy, Gibbs free energy, and entropy. |
| url | https://doi.org/10.5281/zenodo.18385195 |