| _version_ | 1866901891934322688 |
|---|---|
| author | Rzepa, Henry |
| author_facet | Rzepa, Henry |
| contents | Gaussian 16 (C01) calculation |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_19401436 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Cp2CrS4, G = -3023.858803 + ⅛S8= -398.16539925 = -3,422.02420225 Def2-QZVPP NBO7 Rzepa, Henry InChI=1S/2C5H5.Cr.S4/c2*1-2-4-5-3-1;;1-3-4-2/h2*1-5H;; YVHFZKCIKCOJAJ-UHFFFAOYSA-N Gaussian 16 (C01) calculation |
| title | Cp2CrS4, G = -3023.858803 + ⅛S8= -398.16539925 = -3,422.02420225 Def2-QZVPP NBO7 |
| topic | InChI=1S/2C5H5.Cr.S4/c2*1-2-4-5-3-1;;1-3-4-2/h2*1-5H;; YVHFZKCIKCOJAJ-UHFFFAOYSA-N |
| url | https://doi.org/10.5281/zenodo.19401436 |