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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...

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Detalles Bibliográficos
Autores principales: Varadwaj, Pradeep R., Varadwaj, Arpita, Marques, Helder M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
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