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Quantitative Dynamics of the N(2)O + C(2)H(2) → Oxadiazole Reaction: A Model for 1,3-Dipolar Cycloadditions
[Image: see text] The reaction N(2)O + C(2)H(2) → oxadiazole has been considered as a prototype for 1,3-dipolar cycloadditions. Here, we report a comprehensive dynamical study of this important reaction on a full-dimensional potential energy surface, which is fitted to about 64 000 high-level ab ini...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7496009/ https://www.ncbi.nlm.nih.gov/pubmed/32954185 http://dx.doi.org/10.1021/acsomega.0c03210 |