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C(70) Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical study
When acids are supplied with an excess electron (or placed in an Ar or the more polarizable N(2) matrix) in the presence of species such as NH(3), the formation of ion-pairs is a likely outcome. Using density functional theory and first-principles calculations, however, we show that, without supplyi...
Autores principales: | Varadwaj, Pradeep R., Varadwaj, Arpita, Marques, Helder M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6650427/ https://www.ncbi.nlm.nih.gov/pubmed/31337790 http://dx.doi.org/10.1038/s41598-019-46725-4 |
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