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Nature of the Interaction of Pyridines with OCS. A Theoretical Investigation
Ab initio calculations were carried out to investigate the interaction between para-substituted pyridines (X-C(5)H(4)N, X=NH(2), CH(3), H, CN, NO(2)) and OCS. Three stable structures of pyridine.OCS complexes were detected at the MP2=full/aug-cc-pVDZ level. The A structure is characterized by N…S ch...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7024555/ https://www.ncbi.nlm.nih.gov/pubmed/31963861 http://dx.doi.org/10.3390/molecules25020416 |