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Prediction of the [4 + 2]- and [5 + 4]-cycloaddition reactions in zig-zag carbon nanotubes via an ambimodal transition state: density functional theory calculations
A unique type of chemical reaction known as an ambimodal reaction has drawn tremendous attention owing to its intriguing feature of forming multiple (two or more) products from the same (single) transition state. In contrast to conventional reactions, bifurcation of the potential energy surface take...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9050518/ https://www.ncbi.nlm.nih.gov/pubmed/35495313 http://dx.doi.org/10.1039/c9ra10252c |