FULYIU, Cp2ZrS4, G = -2026.472363 + ⅛S8= -398.16539925 = -2,424.63776225 DG = -11.98 => Triplet G = -2026.437602
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| Formato: | Recurso digital |
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Zenodo
2026
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| _version_ | 1866901465180667904 |
|---|---|
| author | Rzepa, Henry |
| author_facet | Rzepa, Henry |
| contents | Gaussian 16 (C01) calculation |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_19841847 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | FULYIU, Cp2ZrS4, G = -2026.472363 + ⅛S8= -398.16539925 = -2,424.63776225 DG = -11.98 => Triplet G = -2026.437602 Rzepa, Henry -2026.437602 InChI=1S/2C5H5.S4.Zr/c2*1-2-4-5-3-1;1-3-4-2;/h2*1-5H;; VZQWBDYCQNHDLY-UHFFFAOYSA-N Gaussian 16 (C01) calculation |
| title | FULYIU, Cp2ZrS4, G = -2026.472363 + ⅛S8= -398.16539925 = -2,424.63776225 DG = -11.98 => Triplet G = -2026.437602 |
| topic | -2026.437602 InChI=1S/2C5H5.S4.Zr/c2*1-2-4-5-3-1;1-3-4-2;/h2*1-5H;; VZQWBDYCQNHDLY-UHFFFAOYSA-N |
| url | https://doi.org/10.5281/zenodo.19841847 |