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On constitutional isomers and tautomers of oxadiazolones and their mono- and disulfur analogues (C(2)H(2)N(2)XY; X, Y = S, O)
The constitutional isomers and tautomers of oxadiazolones, as well as their mono- and disulfur analogues, were calculated at the B3LYP/aug-cc-pVDZ level. Four groups of 30 molecules each were considered: oxadiazolone, oxadiazolthione, thiadiazolone, and thiadiazolthione isomers. The compounds were c...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier B.V.
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7104208/ https://www.ncbi.nlm.nih.gov/pubmed/32288988 http://dx.doi.org/10.1016/j.comptc.2012.11.003 |