CpPReS4, G = -2325.040343 + ⅛S8= -398.16539925 = -2,723.20574225 NBO7 NEDA Total Interaction (E) : -200.470
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2026
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| _version_ | 1866901108032536576 |
|---|---|
| author | Rzepa, Henry |
| author_facet | Rzepa, Henry |
| contents | Gaussian 16 (C01) calculation |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_19134724 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | CpPReS4, G = -2325.040343 + ⅛S8= -398.16539925 = -2,723.20574225 NBO7 NEDA Total Interaction (E) : -200.470 Rzepa, Henry InChI=1S/C5H5.C3H9P.Re.S3.S/c1-2-4-5-3-1;1-4(2)3;;1-3-2;/h1-5H;1-3H3;;; BMNJDPSOQPUKQG-UHFFFAOYSA-N Gaussian 16 (C01) calculation |
| title | CpPReS4, G = -2325.040343 + ⅛S8= -398.16539925 = -2,723.20574225 NBO7 NEDA Total Interaction (E) : -200.470 |
| topic | InChI=1S/C5H5.C3H9P.Re.S3.S/c1-2-4-5-3-1;1-4(2)3;;1-3-2;/h1-5H;1-3H3;;; BMNJDPSOQPUKQG-UHFFFAOYSA-N |
| url | https://doi.org/10.5281/zenodo.19134724 |