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| Formato: | Recurso digital |
| Lenguaje: | |
| Publicado: |
Zenodo
2026
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| Materias: | |
| Acceso en línea: | https://doi.org/10.5281/zenodo.19970706 |
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| _version_ | 1866901227543986176 |
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| author | Rzepa, Henry |
| author_facet | Rzepa, Henry |
| contents | Gaussian 16 (C01) calculation |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_19970706 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | N3-O≡MoS5, G = -2653.370053 => Triplet G = -2653.343570 Rzepa, Henry -2653.343570 InChI=1S/C9H21N3.Mo.O.H2S5/c1-10-4-6-11(2)8-9-12(3)7-5-10;;;1-3-5-4-2/h4-9H2,1-3H3;;;1-2H/q;+2;;/p-2 SSTRJUWDPDTIFX-UHFFFAOYSA-L Gaussian 16 (C01) calculation |
| title | N3-O≡MoS5, G = -2653.370053 => Triplet G = -2653.343570 |
| topic | -2653.343570 InChI=1S/C9H21N3.Mo.O.H2S5/c1-10-4-6-11(2)8-9-12(3)7-5-10;;;1-3-5-4-2/h4-9H2,1-3H3;;;1-2H/q;+2;;/p-2 SSTRJUWDPDTIFX-UHFFFAOYSA-L |
| url | https://doi.org/10.5281/zenodo.19970706 |