Cp2TiS6 C2 symmetry G = -3625.297894 (CYPTIS4 -2828.955733 + 2 ⅛S8= -398.16539925 = -3,625.2865315) DG = -7.13
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2026
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| _version_ | 1866901431429103616 |
|---|---|
| author | Rzepa, Henry |
| author_facet | Rzepa, Henry |
| contents | Gaussian 16 (C01) calculation |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_19277482 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Cp2TiS6 C2 symmetry G = -3625.297894 (CYPTIS4 -2828.955733 + 2 ⅛S8= -398.16539925 = -3,625.2865315) DG = -7.13 Rzepa, Henry -3625.297893 InChI=1S/2C5H5.S6.Ti/c2*1-2-4-5-3-1;1-3-5-6-4-2;/h2*1-5H;; BMZCHXKPABMDOI-UHFFFAOYSA-N Gaussian 16 (C01) calculation |
| title | Cp2TiS6 C2 symmetry G = -3625.297894 (CYPTIS4 -2828.955733 + 2 ⅛S8= -398.16539925 = -3,625.2865315) DG = -7.13 |
| topic | -3625.297893 InChI=1S/2C5H5.S6.Ti/c2*1-2-4-5-3-1;1-3-5-6-4-2;/h2*1-5H;; BMZCHXKPABMDOI-UHFFFAOYSA-N |
| url | https://doi.org/10.5281/zenodo.19277482 |